USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 127:sc= 0.756 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.669 USER MOD Set 2.1: A 22 THR OG1 : rot -52:sc= 0.155 USER MOD Set 2.2: A 25 ASN : amide:sc= 1 K(o=1.2,f=-4.9!) USER MOD Set 3.1: A 7 THR OG1 : rot -172:sc= 0.426 USER MOD Set 3.2: A 9 THR OG1 : rot -13:sc= 0.446 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -119:sc= 0.082 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.000106) USER MOD Single : A 1 MET N :NH3+ -159:sc= 2.37 (180deg=2.22) USER MOD Single : A 2 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.062) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.844 (180deg=-0.452!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.91 (180deg=1.8) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.965 K(o=0.96,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.38) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.345 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.00037) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0606 X(o=0.061,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.132 -7.209 -4.842 1.00 9.67 N ATOM 2 CA MET A 1 11.138 -7.671 -3.434 1.00 10.38 C ATOM 3 C MET A 1 9.729 -7.932 -3.097 1.00 9.62 C ATOM 4 O MET A 1 8.749 -7.516 -3.775 1.00 9.62 O ATOM 5 CB MET A 1 11.797 -6.569 -2.487 1.00 13.77 C ATOM 6 CG MET A 1 11.081 -5.203 -2.282 1.00 16.29 C ATOM 7 SD MET A 1 12.133 -3.994 -1.335 1.00 17.17 S ATOM 8 CE MET A 1 10.753 -2.842 -1.278 1.00 16.11 C ATOM 0 H1 MET A 1 12.077 -7.344 -5.256 1.00 9.67 H new ATOM 0 H2 MET A 1 10.435 -7.758 -5.384 1.00 9.67 H new ATOM 0 H3 MET A 1 10.881 -6.200 -4.875 1.00 9.67 H new ATOM 0 HA MET A 1 11.736 -8.571 -3.295 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.926 -7.020 -1.503 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.794 -6.360 -2.875 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.827 -4.778 -3.253 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.144 -5.362 -1.749 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.059 -1.933 -0.759 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.444 -2.594 -2.293 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.919 -3.300 -0.747 1.00 16.11 H new ATOM 20 N GLN A 2 9.530 -8.751 -1.992 1.00 9.27 N ATOM 21 CA GLN A 2 8.220 -8.905 -1.439 1.00 9.07 C ATOM 22 C GLN A 2 7.971 -7.855 -0.393 1.00 8.72 C ATOM 23 O GLN A 2 8.828 -7.543 0.395 1.00 8.22 O ATOM 24 CB GLN A 2 7.904 -10.202 -0.746 1.00 14.46 C ATOM 25 CG GLN A 2 8.334 -11.478 -1.499 1.00 17.01 C ATOM 26 CD GLN A 2 7.203 -11.940 -2.503 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.608 -12.959 -2.273 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.946 -11.133 -3.570 1.00 19.49 N ATOM 0 H GLN A 2 10.265 -9.276 -1.518 1.00 9.27 H new ATOM 0 HA GLN A 2 7.595 -8.840 -2.330 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.386 -10.198 0.232 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.829 -10.248 -0.572 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.258 -11.290 -2.045 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.542 -12.275 -0.785 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.489 -10.281 -3.707 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.210 -11.381 -4.232 1.00 19.49 H new ATOM 37 N ILE A 3 6.738 -7.312 -0.256 1.00 5.87 N ATOM 38 CA ILE A 3 6.250 -6.573 0.924 1.00 5.07 C ATOM 39 C ILE A 3 4.847 -7.110 1.263 1.00 4.01 C ATOM 40 O ILE A 3 4.150 -7.633 0.388 1.00 4.61 O ATOM 41 CB ILE A 3 6.128 -5.026 0.744 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.162 -4.633 -0.430 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.548 -4.474 0.584 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.985 -3.141 -0.578 1.00 10.83 C ATOM 0 H ILE A 3 6.035 -7.381 -0.991 1.00 5.87 H new ATOM 0 HA ILE A 3 6.992 -6.731 1.707 1.00 5.07 H new ATOM 0 HB ILE A 3 5.664 -4.574 1.621 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.550 -5.041 -1.363 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.188 -5.093 -0.261 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.506 -3.392 0.455 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.133 -4.711 1.473 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.017 -4.925 -0.290 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.307 -2.935 -1.406 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.569 -2.731 0.342 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.951 -2.678 -0.777 1.00 10.83 H new ATOM 56 N PHE A 4 4.460 -7.009 2.541 1.00 4.55 N ATOM 57 CA PHE A 4 3.278 -7.647 3.080 1.00 4.68 C ATOM 58 C PHE A 4 2.351 -6.558 3.551 1.00 5.30 C ATOM 59 O PHE A 4 2.823 -5.635 4.212 1.00 5.58 O ATOM 60 CB PHE A 4 3.533 -8.628 4.251 1.00 4.83 C ATOM 61 CG PHE A 4 4.584 -9.606 3.920 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.325 -10.555 2.848 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.767 -9.634 4.646 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.403 -11.393 2.457 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.799 -10.548 4.294 1.00 10.61 C ATOM 66 CZ PHE A 4 6.621 -11.359 3.174 1.00 8.90 C ATOM 0 H PHE A 4 4.978 -6.468 3.233 1.00 4.55 H new ATOM 0 HA PHE A 4 2.858 -8.257 2.280 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.824 -8.067 5.139 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.609 -9.154 4.494 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.358 -10.619 2.372 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.904 -8.961 5.479 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.292 -12.056 1.612 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.702 -10.612 4.883 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.440 -11.981 2.844 1.00 8.90 H new ATOM 76 N VAL A 5 1.060 -6.651 3.225 1.00 4.44 N ATOM 77 CA VAL A 5 0.030 -5.650 3.582 1.00 3.87 C ATOM 78 C VAL A 5 -1.027 -6.350 4.429 1.00 4.93 C ATOM 79 O VAL A 5 -1.673 -7.328 4.004 1.00 6.84 O ATOM 80 CB VAL A 5 -0.527 -5.039 2.343 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.530 -3.985 2.792 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.710 -4.331 1.658 1.00 9.13 C ATOM 0 H VAL A 5 0.685 -7.437 2.695 1.00 4.44 H new ATOM 0 HA VAL A 5 0.449 -4.831 4.166 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.010 -5.747 1.670 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.969 -3.505 1.918 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.317 -4.458 3.380 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.023 -3.236 3.401 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.389 -3.852 0.733 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.119 -3.579 2.333 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.477 -5.073 1.435 1.00 9.13 H new ATOM 92 N LYS A 6 -1.225 -5.903 5.679 1.00 6.04 N ATOM 93 CA LYS A 6 -2.233 -6.399 6.567 1.00 6.12 C ATOM 94 C LYS A 6 -3.424 -5.537 6.526 1.00 6.57 C ATOM 95 O LYS A 6 -3.332 -4.369 6.533 1.00 5.76 O ATOM 96 CB LYS A 6 -1.819 -6.472 8.082 1.00 7.45 C ATOM 97 CG LYS A 6 -0.592 -7.285 8.530 1.00 11.12 C ATOM 98 CD LYS A 6 -0.721 -8.828 8.363 1.00 14.54 C ATOM 99 CE LYS A 6 -0.107 -9.459 9.508 1.00 18.84 C ATOM 100 NZ LYS A 6 0.174 -10.879 9.290 1.00 20.55 N ATOM 0 H LYS A 6 -0.658 -5.162 6.092 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.413 -7.412 6.206 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.664 -5.447 8.420 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.677 -6.862 8.629 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.275 -6.946 7.963 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.394 -7.065 9.579 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.770 -9.116 8.287 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.234 -9.153 7.443 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.822 -8.942 9.747 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.763 -9.352 10.372 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.354 -11.448 9.982 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.117 -11.147 8.328 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.193 -11.053 9.405 1.00 20.55 H new ATOM 114 N THR A 7 -4.571 -6.172 6.355 1.00 7.41 N ATOM 115 CA THR A 7 -5.951 -5.584 6.189 1.00 7.48 C ATOM 116 C THR A 7 -6.699 -5.408 7.499 1.00 8.75 C ATOM 117 O THR A 7 -6.220 -5.805 8.563 1.00 8.58 O ATOM 118 CB THR A 7 -6.778 -6.268 5.153 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.247 -7.512 5.531 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.967 -6.545 3.937 1.00 9.17 C ATOM 0 H THR A 7 -4.598 -7.191 6.321 1.00 7.41 H new ATOM 0 HA THR A 7 -5.769 -4.579 5.808 1.00 7.48 H new ATOM 0 HB THR A 7 -7.609 -5.582 4.988 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.670 -7.949 4.763 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.587 -7.044 3.192 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.593 -5.607 3.528 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.126 -7.187 4.199 1.00 9.17 H new ATOM 128 N LEU A 8 -7.910 -4.806 7.466 1.00 9.84 N ATOM 129 CA LEU A 8 -8.812 -4.670 8.560 1.00 14.15 C ATOM 130 C LEU A 8 -9.241 -6.085 9.063 1.00 17.37 C ATOM 131 O LEU A 8 -9.309 -6.380 10.267 1.00 17.01 O ATOM 132 CB LEU A 8 -10.085 -3.835 8.175 1.00 16.63 C ATOM 133 CG LEU A 8 -11.105 -3.687 9.248 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.467 -3.189 10.559 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.242 -2.832 8.744 1.00 18.59 C ATOM 0 H LEU A 8 -8.276 -4.388 6.610 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.293 -4.131 9.353 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.765 -2.841 7.863 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.557 -4.303 7.311 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.531 -4.659 9.499 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.237 -3.091 11.324 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.714 -3.904 10.892 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.998 -2.220 10.390 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.990 -2.722 9.529 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.862 -1.849 8.465 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.696 -3.306 7.874 1.00 18.59 H new ATOM 147 N THR A 9 -9.448 -7.048 8.110 1.00 18.33 N ATOM 148 CA THR A 9 -9.753 -8.495 8.437 1.00 19.24 C ATOM 149 C THR A 9 -8.514 -9.290 8.813 1.00 19.48 C ATOM 150 O THR A 9 -8.586 -10.399 9.370 1.00 23.14 O ATOM 151 CB THR A 9 -10.322 -9.248 7.280 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.558 -9.227 6.119 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.711 -8.695 6.997 1.00 19.70 C ATOM 0 H THR A 9 -9.411 -6.856 7.109 1.00 18.33 H new ATOM 0 HA THR A 9 -10.460 -8.415 9.263 1.00 19.24 H new ATOM 0 HB THR A 9 -10.343 -10.298 7.573 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.863 -8.541 6.197 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.150 -9.229 6.154 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.341 -8.825 7.877 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.638 -7.634 6.757 1.00 19.70 H new ATOM 161 N GLY A 10 -7.384 -8.705 8.551 1.00 19.43 N ATOM 162 CA GLY A 10 -6.083 -9.207 8.850 1.00 18.74 C ATOM 163 C GLY A 10 -5.460 -10.024 7.733 1.00 17.62 C ATOM 164 O GLY A 10 -4.383 -10.550 7.979 1.00 19.74 O ATOM 0 H GLY A 10 -7.349 -7.797 8.088 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.426 -8.368 9.081 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.141 -9.823 9.747 1.00 18.74 H new ATOM 168 N LYS A 11 -6.154 -10.117 6.538 1.00 13.56 N ATOM 169 CA LYS A 11 -5.471 -10.880 5.453 1.00 11.91 C ATOM 170 C LYS A 11 -4.083 -10.335 5.046 1.00 10.18 C ATOM 171 O LYS A 11 -3.865 -9.137 5.106 1.00 9.10 O ATOM 172 CB LYS A 11 -6.458 -10.960 4.244 1.00 13.43 C ATOM 173 CG LYS A 11 -6.052 -11.908 3.044 1.00 16.69 C ATOM 174 CD LYS A 11 -6.968 -11.716 1.794 1.00 17.92 C ATOM 175 CE LYS A 11 -6.597 -12.738 0.722 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.261 -12.493 -0.589 1.00 21.93 N ATOM 0 H LYS A 11 -7.071 -9.723 6.327 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.237 -11.875 5.832 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.428 -11.286 4.620 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.592 -9.953 3.849 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.017 -11.713 2.765 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.103 -12.946 3.372 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.014 -11.834 2.076 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.856 -10.706 1.401 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.516 -12.728 0.580 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.863 -13.735 1.074 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.703 -13.373 -0.924 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.990 -11.760 -0.477 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.554 -12.176 -1.282 1.00 21.93 H new ATOM 190 N THR A 12 -3.125 -11.263 4.806 1.00 9.63 N ATOM 191 CA THR A 12 -1.842 -10.853 4.375 1.00 9.85 C ATOM 192 C THR A 12 -1.826 -10.871 2.938 1.00 11.66 C ATOM 193 O THR A 12 -2.020 -11.885 2.277 1.00 12.33 O ATOM 194 CB THR A 12 -0.667 -11.756 4.823 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.719 -11.695 6.238 1.00 10.91 O ATOM 196 CG2 THR A 12 0.772 -11.376 4.440 1.00 9.63 C ATOM 0 H THR A 12 -3.248 -12.270 4.912 1.00 9.63 H new ATOM 0 HA THR A 12 -1.690 -9.872 4.824 1.00 9.85 H new ATOM 0 HB THR A 12 -0.821 -12.711 4.320 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.002 -12.246 6.616 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.463 -12.120 4.837 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.862 -11.340 3.354 1.00 9.63 H new ATOM 0 HG23 THR A 12 1.013 -10.398 4.857 1.00 9.63 H new ATOM 204 N ILE A 13 -1.555 -9.713 2.332 1.00 10.42 N ATOM 205 CA ILE A 13 -1.441 -9.577 0.832 1.00 11.84 C ATOM 206 C ILE A 13 0.083 -9.642 0.512 1.00 10.55 C ATOM 207 O ILE A 13 0.847 -8.915 1.204 1.00 11.92 O ATOM 208 CB ILE A 13 -2.234 -8.369 0.253 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.616 -8.264 0.809 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.354 -8.628 -1.272 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.280 -6.891 0.545 1.00 16.46 C ATOM 0 H ILE A 13 -1.406 -8.839 2.837 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.938 -10.392 0.306 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.712 -7.446 0.505 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.235 -9.049 0.375 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.582 -8.443 1.884 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.904 -7.810 -1.738 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.358 -8.691 -1.710 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.885 -9.565 -1.441 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.282 -6.882 0.975 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.682 -6.103 1.003 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.345 -6.719 -0.529 1.00 16.46 H new ATOM 223 N THR A 14 0.584 -10.336 -0.460 1.00 9.39 N ATOM 224 CA THR A 14 2.011 -10.381 -0.700 1.00 9.63 C ATOM 225 C THR A 14 2.183 -9.872 -2.089 1.00 11.20 C ATOM 226 O THR A 14 1.630 -10.435 -3.027 1.00 11.63 O ATOM 227 CB THR A 14 2.610 -11.752 -0.636 1.00 10.38 C ATOM 228 OG1 THR A 14 2.255 -12.261 0.561 1.00 16.30 O ATOM 229 CG2 THR A 14 4.101 -11.639 -0.701 1.00 11.66 C ATOM 0 H THR A 14 0.028 -10.889 -1.113 1.00 9.39 H new ATOM 0 HA THR A 14 2.514 -9.801 0.074 1.00 9.63 H new ATOM 0 HB THR A 14 2.269 -12.381 -1.458 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.623 -13.165 0.654 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.544 -12.634 -0.655 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.389 -11.157 -1.635 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.458 -11.044 0.140 1.00 11.66 H new ATOM 237 N LEU A 15 2.906 -8.739 -2.257 1.00 8.29 N ATOM 238 CA LEU A 15 2.998 -7.953 -3.474 1.00 9.03 C ATOM 239 C LEU A 15 4.428 -7.932 -3.904 1.00 8.59 C ATOM 240 O LEU A 15 5.245 -7.679 -3.035 1.00 7.79 O ATOM 241 CB LEU A 15 2.540 -6.457 -3.394 1.00 11.08 C ATOM 242 CG LEU A 15 1.162 -6.184 -2.668 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.103 -4.662 -2.341 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.074 -6.761 -3.451 1.00 15.27 C ATOM 0 H LEU A 15 3.462 -8.343 -1.499 1.00 8.29 H new ATOM 0 HA LEU A 15 2.309 -8.442 -4.162 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.316 -5.889 -2.881 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.476 -6.064 -4.409 1.00 11.08 H new ATOM 0 HG LEU A 15 1.102 -6.734 -1.729 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.163 -4.434 -1.838 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.937 -4.397 -1.691 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.168 -4.088 -3.266 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.989 -6.541 -2.901 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.125 -6.303 -4.439 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.034 -7.840 -3.557 1.00 15.27 H new ATOM 256 N GLU A 16 4.715 -8.174 -5.223 1.00 11.04 N ATOM 257 CA GLU A 16 6.082 -8.228 -5.765 1.00 11.50 C ATOM 258 C GLU A 16 6.399 -6.886 -6.438 1.00 10.13 C ATOM 259 O GLU A 16 5.819 -6.500 -7.458 1.00 9.83 O ATOM 260 CB GLU A 16 6.277 -9.355 -6.843 1.00 17.22 C ATOM 261 CG GLU A 16 7.632 -9.432 -7.412 1.00 23.33 C ATOM 262 CD GLU A 16 8.843 -9.474 -6.452 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.944 -10.406 -5.582 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.677 -8.567 -6.522 1.00 28.90 O ATOM 0 H GLU A 16 3.994 -8.335 -5.926 1.00 11.04 H new ATOM 0 HA GLU A 16 6.745 -8.443 -4.927 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.031 -10.317 -6.392 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.566 -9.192 -7.653 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.677 -10.323 -8.038 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.763 -8.573 -8.070 1.00 23.33 H new ATOM 271 N VAL A 17 7.345 -6.109 -5.841 1.00 8.99 N ATOM 272 CA VAL A 17 7.470 -4.621 -6.074 1.00 8.85 C ATOM 273 C VAL A 17 8.955 -4.402 -5.987 1.00 8.04 C ATOM 274 O VAL A 17 9.653 -5.016 -5.219 1.00 8.99 O ATOM 275 CB VAL A 17 6.760 -3.691 -5.111 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.182 -3.559 -5.408 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.942 -4.183 -3.617 1.00 10.54 C ATOM 0 H VAL A 17 8.039 -6.479 -5.191 1.00 8.99 H new ATOM 0 HA VAL A 17 6.984 -4.370 -7.017 1.00 8.85 H new ATOM 0 HB VAL A 17 7.220 -2.713 -5.255 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.731 -2.880 -4.685 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.033 -3.168 -6.415 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.713 -4.540 -5.326 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.424 -3.500 -2.943 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.525 -5.184 -3.510 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.003 -4.204 -3.367 1.00 10.54 H new ATOM 287 N GLU A 18 9.474 -3.511 -6.870 1.00 7.29 N ATOM 288 CA GLU A 18 10.825 -2.968 -6.841 1.00 7.08 C ATOM 289 C GLU A 18 10.897 -1.752 -5.979 1.00 6.45 C ATOM 290 O GLU A 18 9.862 -1.032 -5.908 1.00 5.28 O ATOM 291 CB GLU A 18 11.416 -2.643 -8.245 1.00 10.28 C ATOM 292 CG GLU A 18 11.376 -3.893 -9.163 1.00 12.65 C ATOM 293 CD GLU A 18 12.346 -4.945 -8.685 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.574 -4.624 -8.555 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.946 -6.144 -8.369 1.00 14.33 O ATOM 0 H GLU A 18 8.926 -3.146 -7.649 1.00 7.29 H new ATOM 0 HA GLU A 18 11.438 -3.765 -6.420 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.851 -1.832 -8.703 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.444 -2.296 -8.140 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.367 -4.304 -9.180 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.620 -3.606 -10.186 1.00 12.65 H new ATOM 302 N PRO A 19 11.995 -1.372 -5.359 1.00 7.24 N ATOM 303 CA PRO A 19 12.089 -0.162 -4.547 1.00 7.07 C ATOM 304 C PRO A 19 11.617 1.131 -5.257 1.00 6.65 C ATOM 305 O PRO A 19 11.177 2.073 -4.620 1.00 6.37 O ATOM 306 CB PRO A 19 13.569 -0.126 -4.086 1.00 7.61 C ATOM 307 CG PRO A 19 13.990 -1.608 -4.164 1.00 8.16 C ATOM 308 CD PRO A 19 13.252 -2.143 -5.363 1.00 7.49 C ATOM 0 HA PRO A 19 11.400 -0.197 -3.703 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.179 0.502 -4.735 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.668 0.269 -3.075 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.069 -1.709 -4.283 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.718 -2.147 -3.257 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.815 -1.989 -6.284 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.067 -3.214 -5.277 1.00 7.49 H new ATOM 316 N SER A 20 11.827 1.187 -6.572 1.00 6.80 N ATOM 317 CA SER A 20 11.456 2.217 -7.462 1.00 6.28 C ATOM 318 C SER A 20 9.994 2.165 -7.965 1.00 8.45 C ATOM 319 O SER A 20 9.659 2.905 -8.871 1.00 7.26 O ATOM 320 CB SER A 20 12.437 2.278 -8.668 1.00 8.57 C ATOM 321 OG SER A 20 12.568 0.952 -9.263 1.00 11.13 O ATOM 0 H SER A 20 12.307 0.429 -7.057 1.00 6.80 H new ATOM 0 HA SER A 20 11.521 3.130 -6.870 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.071 2.986 -9.411 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.412 2.637 -8.338 1.00 8.57 H new ATOM 0 HG SER A 20 13.185 0.994 -10.023 1.00 11.13 H new ATOM 327 N ASP A 21 9.109 1.361 -7.343 1.00 7.50 N ATOM 328 CA ASP A 21 7.689 1.372 -7.697 1.00 7.70 C ATOM 329 C ASP A 21 7.028 2.316 -6.746 1.00 7.08 C ATOM 330 O ASP A 21 7.370 2.335 -5.568 1.00 8.11 O ATOM 331 CB ASP A 21 7.212 -0.127 -7.667 1.00 11.00 C ATOM 332 CG ASP A 21 7.827 -0.848 -8.921 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.927 -0.205 -9.982 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.061 -2.090 -8.746 1.00 18.03 O ATOM 0 H ASP A 21 9.356 0.705 -6.602 1.00 7.50 H new ATOM 0 HA ASP A 21 7.440 1.737 -8.693 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.538 -0.614 -6.748 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.124 -0.183 -7.689 1.00 11.00 H new ATOM 339 N THR A 22 5.942 3.089 -7.181 1.00 5.37 N ATOM 340 CA THR A 22 5.405 4.123 -6.317 1.00 6.01 C ATOM 341 C THR A 22 4.289 3.478 -5.503 1.00 8.01 C ATOM 342 O THR A 22 3.824 2.365 -5.780 1.00 8.11 O ATOM 343 CB THR A 22 4.867 5.364 -6.990 1.00 8.92 C ATOM 344 OG1 THR A 22 3.824 5.028 -7.858 1.00 10.22 O ATOM 345 CG2 THR A 22 5.966 6.012 -7.779 1.00 9.65 C ATOM 0 H THR A 22 5.477 2.988 -8.083 1.00 5.37 H new ATOM 0 HA THR A 22 6.243 4.490 -5.725 1.00 6.01 H new ATOM 0 HB THR A 22 4.495 6.048 -6.228 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.119 4.317 -8.464 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.584 6.908 -8.267 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.783 6.283 -7.110 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.331 5.316 -8.534 1.00 9.65 H new ATOM 353 N ILE A 23 3.746 4.195 -4.485 1.00 8.32 N ATOM 354 CA ILE A 23 2.561 3.815 -3.728 1.00 9.92 C ATOM 355 C ILE A 23 1.394 3.598 -4.666 1.00 10.01 C ATOM 356 O ILE A 23 0.602 2.706 -4.433 1.00 8.71 O ATOM 357 CB ILE A 23 2.190 4.845 -2.708 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.391 5.123 -1.811 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.861 4.434 -1.946 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.059 3.974 -1.112 1.00 12.30 C ATOM 0 H ILE A 23 4.146 5.079 -4.171 1.00 8.32 H new ATOM 0 HA ILE A 23 2.797 2.890 -3.202 1.00 9.92 H new ATOM 0 HB ILE A 23 1.945 5.793 -3.187 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.146 5.623 -2.418 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.074 5.833 -1.047 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.612 5.199 -1.210 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.045 4.341 -2.662 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.011 3.480 -1.441 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.893 4.346 -0.517 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.340 3.477 -0.460 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.429 3.264 -1.851 1.00 12.30 H new ATOM 372 N GLU A 24 1.245 4.380 -5.785 1.00 9.54 N ATOM 373 CA GLU A 24 0.191 4.245 -6.721 1.00 11.81 C ATOM 374 C GLU A 24 0.289 2.903 -7.380 1.00 11.14 C ATOM 375 O GLU A 24 -0.703 2.231 -7.614 1.00 10.62 O ATOM 376 CB GLU A 24 0.169 5.316 -7.806 1.00 19.24 C ATOM 377 CG GLU A 24 -1.068 5.408 -8.693 1.00 27.76 C ATOM 378 CD GLU A 24 -0.985 6.353 -9.921 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.107 6.914 -10.161 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.014 6.398 -10.697 1.00 34.80 O ATOM 0 H GLU A 24 1.898 5.127 -6.023 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.732 4.359 -6.152 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.307 6.284 -7.324 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.032 5.156 -8.452 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.303 4.406 -9.052 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.906 5.729 -8.074 1.00 27.76 H new ATOM 387 N ASN A 25 1.426 2.365 -7.671 1.00 9.43 N ATOM 388 CA ASN A 25 1.571 1.059 -8.370 1.00 10.96 C ATOM 389 C ASN A 25 1.264 -0.110 -7.323 1.00 9.68 C ATOM 390 O ASN A 25 0.746 -1.178 -7.654 1.00 9.33 O ATOM 391 CB ASN A 25 2.987 0.807 -8.895 1.00 16.78 C ATOM 392 CG ASN A 25 3.481 1.963 -9.657 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.592 2.460 -9.478 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.643 2.466 -10.630 1.00 24.70 N ATOM 0 H ASN A 25 2.319 2.801 -7.440 1.00 9.43 H new ATOM 0 HA ASN A 25 0.883 1.079 -9.216 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.657 0.604 -8.060 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.991 -0.079 -9.529 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.944 3.253 -11.205 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.723 2.051 -10.775 1.00 24.70 H new ATOM 401 N VAL A 26 1.603 0.071 -6.029 1.00 6.52 N ATOM 402 CA VAL A 26 1.326 -0.814 -4.882 1.00 5.53 C ATOM 403 C VAL A 26 -0.215 -0.907 -4.732 1.00 4.42 C ATOM 404 O VAL A 26 -0.737 -2.035 -4.649 1.00 3.40 O ATOM 405 CB VAL A 26 1.889 -0.329 -3.542 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.599 -1.267 -2.377 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.402 -0.161 -3.768 1.00 8.12 C ATOM 0 H VAL A 26 2.116 0.903 -5.739 1.00 6.52 H new ATOM 0 HA VAL A 26 1.813 -1.765 -5.097 1.00 5.53 H new ATOM 0 HB VAL A 26 1.407 0.604 -3.251 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.029 -0.856 -1.463 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.521 -1.373 -2.255 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.039 -2.244 -2.578 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.871 0.185 -2.847 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.835 -1.118 -4.058 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.573 0.569 -4.559 1.00 8.12 H new ATOM 417 N LYS A 27 -0.946 0.258 -4.800 1.00 2.64 N ATOM 418 CA LYS A 27 -2.412 0.264 -4.772 1.00 4.14 C ATOM 419 C LYS A 27 -2.971 -0.402 -6.009 1.00 5.58 C ATOM 420 O LYS A 27 -3.988 -1.103 -5.889 1.00 4.11 O ATOM 421 CB LYS A 27 -3.007 1.742 -4.625 1.00 3.97 C ATOM 422 CG LYS A 27 -2.566 2.472 -3.363 1.00 7.45 C ATOM 423 CD LYS A 27 -3.376 3.786 -3.124 1.00 9.02 C ATOM 424 CE LYS A 27 -3.162 4.881 -4.126 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.084 5.972 -3.758 1.00 15.47 N ATOM 0 H LYS A 27 -0.527 1.185 -4.874 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.717 -0.302 -3.892 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.709 2.329 -5.493 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.095 1.686 -4.637 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.686 1.812 -2.504 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.505 2.710 -3.436 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.437 3.537 -3.108 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.124 4.170 -2.136 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.128 5.225 -4.110 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.364 4.527 -5.137 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.926 6.786 -4.385 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.066 5.645 -3.857 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.911 6.255 -2.772 1.00 15.47 H new ATOM 439 N ALA A 28 -2.343 -0.343 -7.171 1.00 6.61 N ATOM 440 CA ALA A 28 -2.721 -1.142 -8.325 1.00 7.74 C ATOM 441 C ALA A 28 -2.463 -2.636 -8.235 1.00 9.17 C ATOM 442 O ALA A 28 -3.392 -3.439 -8.641 1.00 11.45 O ATOM 443 CB ALA A 28 -2.011 -0.623 -9.642 1.00 7.68 C ATOM 0 H ALA A 28 -1.545 0.269 -7.342 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.803 -1.011 -8.352 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.314 -1.241 -10.487 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.300 0.412 -9.827 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.929 -0.681 -9.520 1.00 7.68 H new ATOM 449 N LYS A 29 -1.295 -3.029 -7.601 1.00 8.96 N ATOM 450 CA LYS A 29 -1.019 -4.385 -7.206 1.00 7.90 C ATOM 451 C LYS A 29 -2.074 -4.974 -6.275 1.00 6.92 C ATOM 452 O LYS A 29 -2.601 -6.097 -6.484 1.00 6.87 O ATOM 453 CB LYS A 29 0.396 -4.585 -6.573 1.00 10.28 C ATOM 454 CG LYS A 29 1.587 -4.489 -7.638 1.00 14.94 C ATOM 455 CD LYS A 29 1.666 -5.658 -8.660 1.00 19.69 C ATOM 456 CE LYS A 29 2.946 -5.548 -9.534 1.00 22.63 C ATOM 457 NZ LYS A 29 3.014 -6.640 -10.487 1.00 24.98 N ATOM 0 H LYS A 29 -0.545 -2.378 -7.369 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.047 -4.930 -8.149 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.549 -3.833 -5.799 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.433 -5.558 -6.084 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.484 -3.554 -8.189 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.532 -4.438 -7.097 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.664 -6.610 -8.130 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.783 -5.647 -9.299 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.949 -4.596 -10.064 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.830 -5.560 -8.896 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.877 -6.547 -11.060 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.034 -7.546 -9.976 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.180 -6.611 -11.108 1.00 24.98 H new ATOM 471 N ILE A 30 -2.436 -4.219 -5.169 1.00 4.57 N ATOM 472 CA ILE A 30 -3.559 -4.611 -4.337 1.00 5.58 C ATOM 473 C ILE A 30 -4.951 -4.628 -5.063 1.00 7.26 C ATOM 474 O ILE A 30 -5.720 -5.524 -4.838 1.00 9.46 O ATOM 475 CB ILE A 30 -3.656 -3.668 -3.073 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.377 -3.837 -2.240 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.900 -3.882 -2.255 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.236 -2.847 -1.137 1.00 2.00 C ATOM 0 H ILE A 30 -1.959 -3.368 -4.871 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.349 -5.642 -4.053 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.738 -2.638 -3.420 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.362 -4.841 -1.817 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.513 -3.756 -2.900 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.898 -3.200 -1.404 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.778 -3.690 -2.871 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.927 -4.911 -1.896 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.308 -3.034 -0.597 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.218 -1.839 -1.553 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.079 -2.942 -0.453 1.00 2.00 H new ATOM 490 N GLN A 31 -5.246 -3.655 -5.987 1.00 7.06 N ATOM 491 CA GLN A 31 -6.391 -3.767 -6.903 1.00 8.67 C ATOM 492 C GLN A 31 -6.409 -5.050 -7.718 1.00 10.90 C ATOM 493 O GLN A 31 -7.429 -5.768 -7.714 1.00 9.63 O ATOM 494 CB GLN A 31 -6.524 -2.556 -7.784 1.00 9.12 C ATOM 495 CG GLN A 31 -7.802 -2.459 -8.650 1.00 10.76 C ATOM 496 CD GLN A 31 -7.764 -1.295 -9.614 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.736 -0.925 -10.231 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.900 -0.577 -9.776 1.00 14.76 N ATOM 0 H GLN A 31 -4.701 -2.800 -6.102 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.268 -3.816 -6.258 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.474 -1.669 -7.152 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.660 -2.523 -8.448 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.928 -3.386 -9.210 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.671 -2.359 -7.999 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.752 -0.853 -9.288 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.904 0.240 -10.387 1.00 14.76 H new ATOM 507 N ASP A 32 -5.269 -5.467 -8.323 1.00 10.93 N ATOM 508 CA ASP A 32 -4.996 -6.752 -8.959 1.00 14.01 C ATOM 509 C ASP A 32 -5.271 -7.928 -8.069 1.00 14.04 C ATOM 510 O ASP A 32 -5.819 -8.938 -8.542 1.00 13.39 O ATOM 511 CB ASP A 32 -3.593 -6.830 -9.587 1.00 18.01 C ATOM 512 CG ASP A 32 -3.592 -7.757 -10.792 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.423 -7.529 -11.753 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.830 -8.698 -10.837 1.00 25.17 O ATOM 0 H ASP A 32 -4.458 -4.851 -8.375 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.711 -6.813 -9.779 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.269 -5.834 -9.888 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.878 -7.188 -8.847 1.00 18.01 H new ATOM 519 N LYS A 33 -4.929 -7.903 -6.772 1.00 14.22 N ATOM 520 CA LYS A 33 -5.272 -9.053 -5.969 1.00 14.00 C ATOM 521 C LYS A 33 -6.675 -9.178 -5.426 1.00 12.37 C ATOM 522 O LYS A 33 -7.325 -10.198 -5.488 1.00 12.17 O ATOM 523 CB LYS A 33 -4.367 -9.143 -4.719 1.00 18.62 C ATOM 524 CG LYS A 33 -2.891 -9.312 -4.947 1.00 24.00 C ATOM 525 CD LYS A 33 -2.476 -10.758 -5.390 1.00 27.61 C ATOM 526 CE LYS A 33 -0.997 -11.023 -5.530 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.747 -12.307 -6.103 1.00 30.06 N ATOM 0 H LYS A 33 -4.445 -7.143 -6.293 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.144 -9.844 -6.708 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.516 -8.239 -4.129 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.713 -9.980 -4.112 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.568 -8.603 -5.709 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.360 -9.058 -4.029 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.882 -11.466 -4.667 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.952 -10.971 -6.347 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.545 -10.251 -6.153 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.521 -10.961 -4.551 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.279 -12.457 -6.185 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.157 -13.044 -5.495 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.181 -12.356 -7.047 1.00 30.06 H new ATOM 541 N GLU A 34 -7.248 -8.075 -4.871 1.00 10.11 N ATOM 542 CA GLU A 34 -8.451 -7.990 -4.112 1.00 10.07 C ATOM 543 C GLU A 34 -9.564 -7.143 -4.736 1.00 9.32 C ATOM 544 O GLU A 34 -10.680 -7.222 -4.215 1.00 11.61 O ATOM 545 CB GLU A 34 -8.066 -7.404 -2.703 1.00 14.77 C ATOM 546 CG GLU A 34 -6.871 -8.013 -1.971 1.00 18.75 C ATOM 547 CD GLU A 34 -7.048 -9.472 -1.662 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.044 -9.786 -0.931 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.211 -10.313 -2.078 1.00 25.19 O ATOM 0 H GLU A 34 -6.812 -7.159 -4.974 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.871 -8.994 -4.060 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.873 -6.338 -2.827 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.937 -7.497 -2.054 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.976 -7.883 -2.579 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.707 -7.469 -1.041 1.00 18.75 H new ATOM 556 N GLY A 35 -9.309 -6.407 -5.834 1.00 7.22 N ATOM 557 CA GLY A 35 -10.402 -5.785 -6.541 1.00 6.29 C ATOM 558 C GLY A 35 -10.869 -4.548 -5.795 1.00 6.93 C ATOM 559 O GLY A 35 -12.066 -4.301 -5.866 1.00 7.41 O ATOM 0 H GLY A 35 -8.382 -6.242 -6.227 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.086 -5.514 -7.549 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.227 -6.490 -6.644 1.00 6.29 H new ATOM 563 N ILE A 36 -9.977 -3.773 -5.234 1.00 5.86 N ATOM 564 CA ILE A 36 -10.436 -2.583 -4.464 1.00 6.07 C ATOM 565 C ILE A 36 -9.933 -1.349 -5.201 1.00 6.36 C ATOM 566 O ILE A 36 -8.751 -1.293 -5.489 1.00 6.18 O ATOM 567 CB ILE A 36 -9.943 -2.500 -2.992 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.134 -3.886 -2.293 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.501 -1.311 -2.242 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.580 -3.849 -0.857 1.00 9.49 C ATOM 0 H ILE A 36 -8.967 -3.910 -5.275 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.522 -2.657 -4.403 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.872 -2.297 -2.987 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.192 -4.147 -2.274 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.625 -4.661 -2.865 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.118 -1.312 -1.222 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.199 -0.391 -2.742 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.589 -1.372 -2.221 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.722 -4.822 -0.387 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.517 -3.610 -0.883 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.109 -3.088 -0.283 1.00 9.49 H new ATOM 582 N PRO A 37 -10.692 -0.344 -5.560 1.00 8.65 N ATOM 583 CA PRO A 37 -10.169 0.902 -6.043 1.00 9.18 C ATOM 584 C PRO A 37 -8.905 1.611 -5.439 1.00 9.85 C ATOM 585 O PRO A 37 -8.996 1.809 -4.274 1.00 8.51 O ATOM 586 CB PRO A 37 -11.323 1.793 -5.798 1.00 11.42 C ATOM 587 CG PRO A 37 -12.470 0.929 -6.321 1.00 9.27 C ATOM 588 CD PRO A 37 -12.130 -0.438 -5.771 1.00 8.33 C ATOM 0 HA PRO A 37 -9.786 0.693 -7.042 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.439 2.038 -4.742 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.238 2.737 -6.337 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.438 1.281 -5.964 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.513 0.929 -7.410 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.663 -0.646 -4.844 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.386 -1.233 -6.472 1.00 8.33 H new ATOM 596 N PRO A 38 -7.806 1.995 -6.171 1.00 8.71 N ATOM 597 CA PRO A 38 -6.761 2.806 -5.590 1.00 9.08 C ATOM 598 C PRO A 38 -7.246 4.122 -4.981 1.00 9.28 C ATOM 599 O PRO A 38 -6.679 4.693 -4.091 1.00 6.50 O ATOM 600 CB PRO A 38 -5.825 2.991 -6.799 1.00 10.31 C ATOM 601 CG PRO A 38 -5.925 1.632 -7.572 1.00 10.81 C ATOM 602 CD PRO A 38 -7.368 1.316 -7.388 1.00 12.00 C ATOM 0 HA PRO A 38 -6.286 2.345 -4.724 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.140 3.828 -7.422 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.802 3.196 -6.483 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.654 1.733 -8.623 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.276 0.866 -7.148 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.948 1.653 -8.247 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.519 0.240 -7.304 1.00 12.00 H new ATOM 610 N ASP A 39 -8.365 4.674 -5.409 1.00 11.20 N ATOM 611 CA ASP A 39 -9.028 5.856 -4.804 1.00 14.96 C ATOM 612 C ASP A 39 -9.431 5.642 -3.381 1.00 13.99 C ATOM 613 O ASP A 39 -9.247 6.478 -2.508 1.00 13.75 O ATOM 614 CB ASP A 39 -10.228 6.193 -5.733 1.00 24.16 C ATOM 615 CG ASP A 39 -10.767 7.588 -5.412 1.00 31.06 C ATOM 616 OD1 ASP A 39 -11.659 7.733 -4.546 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.267 8.605 -6.006 1.00 34.22 O ATOM 0 H ASP A 39 -8.871 4.312 -6.217 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.336 6.696 -4.742 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.914 6.147 -6.776 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.017 5.452 -5.604 1.00 24.16 H new ATOM 622 N GLN A 40 -10.077 4.495 -3.083 1.00 11.60 N ATOM 623 CA GLN A 40 -10.574 4.127 -1.774 1.00 10.76 C ATOM 624 C GLN A 40 -9.484 3.527 -0.864 1.00 8.01 C ATOM 625 O GLN A 40 -9.627 3.656 0.360 1.00 8.96 O ATOM 626 CB GLN A 40 -11.817 3.200 -1.839 1.00 11.14 C ATOM 627 CG GLN A 40 -12.680 3.132 -0.570 1.00 14.85 C ATOM 628 CD GLN A 40 -13.926 2.295 -0.717 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.059 1.392 -1.534 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.953 2.651 0.068 1.00 18.16 N ATOM 0 H GLN A 40 -10.266 3.783 -3.788 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.893 5.064 -1.319 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.447 3.530 -2.665 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.480 2.191 -2.078 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.078 2.729 0.244 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.967 4.144 -0.284 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.839 3.403 0.747 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.848 2.169 -0.014 1.00 18.16 H new ATOM 639 N GLN A 41 -8.424 2.914 -1.379 1.00 6.52 N ATOM 640 CA GLN A 41 -7.388 2.286 -0.608 1.00 3.87 C ATOM 641 C GLN A 41 -6.473 3.264 0.173 1.00 4.79 C ATOM 642 O GLN A 41 -5.931 4.170 -0.468 1.00 6.34 O ATOM 643 CB GLN A 41 -6.494 1.439 -1.479 1.00 4.20 C ATOM 644 CG GLN A 41 -7.099 0.162 -2.065 1.00 3.20 C ATOM 645 CD GLN A 41 -6.095 -0.596 -2.779 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.971 -0.704 -2.362 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.445 -1.071 -4.013 1.00 7.13 N ATOM 0 H GLN A 41 -8.268 2.845 -2.385 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.936 1.684 0.117 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.143 2.057 -2.305 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.617 1.161 -0.894 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.522 -0.447 -1.266 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.917 0.417 -2.738 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.404 -0.968 -4.346 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.747 -1.528 -4.600 1.00 7.13 H new ATOM 656 N ARG A 42 -6.275 3.084 1.468 1.00 5.73 N ATOM 657 CA ARG A 42 -5.343 3.859 2.246 1.00 6.97 C ATOM 658 C ARG A 42 -4.275 2.939 2.729 1.00 7.15 C ATOM 659 O ARG A 42 -4.550 1.804 3.274 1.00 7.33 O ATOM 660 CB ARG A 42 -6.112 4.598 3.372 1.00 13.23 C ATOM 661 CG ARG A 42 -6.503 5.973 2.834 1.00 21.27 C ATOM 662 CD ARG A 42 -7.298 6.728 3.914 1.00 26.14 C ATOM 663 NE ARG A 42 -7.369 8.152 3.489 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.230 9.016 4.116 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.123 8.637 5.002 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.295 10.324 3.796 1.00 36.39 N ATOM 0 H ARG A 42 -6.771 2.379 2.012 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.854 4.638 1.661 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.998 4.035 3.665 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.489 4.697 4.261 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.612 6.537 2.560 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.103 5.867 1.930 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.298 6.308 4.021 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.810 6.639 4.884 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.776 8.486 2.730 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.203 7.653 5.257 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.737 9.327 5.435 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.691 10.701 3.066 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.948 10.937 4.284 1.00 36.39 H new ATOM 680 N LEU A 43 -2.984 3.328 2.445 1.00 4.65 N ATOM 681 CA LEU A 43 -1.862 2.501 2.859 1.00 3.51 C ATOM 682 C LEU A 43 -1.149 3.280 3.940 1.00 5.56 C ATOM 683 O LEU A 43 -1.004 4.458 3.857 1.00 4.19 O ATOM 684 CB LEU A 43 -0.948 2.157 1.683 1.00 3.74 C ATOM 685 CG LEU A 43 -1.552 1.146 0.752 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.699 0.890 -0.504 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.856 -0.169 1.452 1.00 6.41 C ATOM 0 H LEU A 43 -2.731 4.182 1.948 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.197 1.536 3.239 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.722 3.067 1.127 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.002 1.773 2.064 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.491 1.590 0.423 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.192 0.150 -1.134 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.582 1.820 -1.060 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.282 0.519 -0.208 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.291 -0.869 0.739 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.934 -0.588 1.855 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.561 0.006 2.265 1.00 6.41 H new ATOM 699 N ILE A 44 -0.751 2.560 5.021 1.00 4.58 N ATOM 700 CA ILE A 44 -0.208 3.172 6.214 1.00 5.55 C ATOM 701 C ILE A 44 0.949 2.311 6.717 1.00 5.46 C ATOM 702 O ILE A 44 0.813 1.080 6.920 1.00 6.04 O ATOM 703 CB ILE A 44 -1.115 3.504 7.379 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.351 4.276 6.816 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.392 4.337 8.415 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.378 4.693 7.873 1.00 13.90 C ATOM 0 H ILE A 44 -0.806 1.543 5.068 1.00 4.58 H new ATOM 0 HA ILE A 44 0.073 4.164 5.859 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.433 2.587 7.874 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.000 5.168 6.297 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.847 3.650 6.074 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.069 4.560 9.240 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.468 3.783 8.791 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.054 5.269 7.961 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.201 5.222 7.392 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.762 3.806 8.377 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.903 5.348 8.604 1.00 13.90 H new ATOM 718 N PHE A 45 2.076 2.989 6.938 1.00 6.75 N ATOM 719 CA PHE A 45 3.299 2.369 7.453 1.00 4.70 C ATOM 720 C PHE A 45 4.017 3.403 8.281 1.00 6.34 C ATOM 721 O PHE A 45 4.014 4.537 7.910 1.00 5.45 O ATOM 722 CB PHE A 45 4.148 1.971 6.201 1.00 5.51 C ATOM 723 CG PHE A 45 5.535 1.415 6.449 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.731 0.065 6.605 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.664 2.262 6.392 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.965 -0.524 6.802 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.905 1.686 6.509 1.00 6.64 C ATOM 728 CZ PHE A 45 8.094 0.331 6.716 1.00 6.84 C ATOM 0 H PHE A 45 2.167 3.990 6.764 1.00 6.75 H new ATOM 0 HA PHE A 45 3.110 1.491 8.071 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.585 1.231 5.633 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.246 2.852 5.567 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.864 -0.578 6.572 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.555 3.328 6.261 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.065 -1.579 7.010 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.775 2.321 6.436 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.091 -0.072 6.811 1.00 6.84 H new ATOM 738 N ALA A 46 4.816 2.980 9.318 1.00 6.53 N ATOM 739 CA ALA A 46 5.745 3.827 10.074 1.00 7.15 C ATOM 740 C ALA A 46 5.191 5.152 10.577 1.00 9.00 C ATOM 741 O ALA A 46 5.829 6.189 10.698 1.00 11.15 O ATOM 742 CB ALA A 46 7.074 3.863 9.317 1.00 8.99 C ATOM 0 H ALA A 46 4.815 2.013 9.642 1.00 6.53 H new ATOM 0 HA ALA A 46 5.929 3.373 11.048 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.784 4.487 9.859 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.471 2.852 9.231 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.914 4.276 8.321 1.00 8.99 H new ATOM 748 N GLY A 47 3.941 5.154 10.899 1.00 9.35 N ATOM 749 CA GLY A 47 3.267 6.332 11.401 1.00 11.68 C ATOM 750 C GLY A 47 2.707 7.212 10.249 1.00 11.14 C ATOM 751 O GLY A 47 2.072 8.239 10.429 1.00 13.93 O ATOM 0 H GLY A 47 3.340 4.333 10.825 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.451 6.031 12.058 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.961 6.919 12.002 1.00 11.68 H new ATOM 755 N LYS A 48 2.961 6.838 8.957 1.00 10.47 N ATOM 756 CA LYS A 48 2.771 7.659 7.819 1.00 8.82 C ATOM 757 C LYS A 48 1.693 7.097 6.947 1.00 7.68 C ATOM 758 O LYS A 48 1.789 6.006 6.445 1.00 6.47 O ATOM 759 CB LYS A 48 4.042 7.746 6.930 1.00 9.74 C ATOM 760 CG LYS A 48 5.242 8.399 7.646 1.00 14.14 C ATOM 761 CD LYS A 48 6.602 8.098 7.007 1.00 16.32 C ATOM 762 CE LYS A 48 7.707 8.631 7.946 1.00 20.04 C ATOM 763 NZ LYS A 48 8.966 8.294 7.311 1.00 23.92 N ATOM 0 H LYS A 48 3.316 5.912 8.720 1.00 10.47 H new ATOM 0 HA LYS A 48 2.517 8.646 8.205 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.321 6.743 6.608 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.810 8.316 6.031 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.094 9.479 7.665 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.259 8.061 8.682 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.720 7.026 6.852 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.675 8.571 6.028 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.616 9.708 8.084 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.634 8.175 8.933 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.753 8.630 7.901 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 9.033 7.262 7.199 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 9.016 8.748 6.376 1.00 23.92 H new ATOM 777 N GLN A 49 0.609 7.929 6.751 1.00 8.89 N ATOM 778 CA GLN A 49 -0.314 7.733 5.716 1.00 7.18 C ATOM 779 C GLN A 49 0.263 8.024 4.380 1.00 8.23 C ATOM 780 O GLN A 49 0.594 9.160 4.069 1.00 9.70 O ATOM 781 CB GLN A 49 -1.666 8.419 5.920 1.00 11.67 C ATOM 782 CG GLN A 49 -2.694 7.813 5.028 1.00 15.82 C ATOM 783 CD GLN A 49 -3.991 8.567 5.258 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.919 8.044 5.782 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.114 9.822 4.763 1.00 20.67 N ATOM 0 H GLN A 49 0.406 8.737 7.340 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.537 6.667 5.754 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.976 8.324 6.961 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.576 9.485 5.710 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.388 7.884 3.984 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.820 6.754 5.251 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.318 10.273 4.312 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.003 10.316 4.841 1.00 20.67 H new ATOM 794 N LEU A 50 0.460 6.970 3.580 1.00 6.51 N ATOM 795 CA LEU A 50 1.327 6.956 2.454 1.00 7.41 C ATOM 796 C LEU A 50 0.657 7.689 1.299 1.00 8.27 C ATOM 797 O LEU A 50 -0.546 7.681 1.141 1.00 8.34 O ATOM 798 CB LEU A 50 1.794 5.550 2.004 1.00 7.13 C ATOM 799 CG LEU A 50 2.390 4.760 3.131 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.829 3.290 2.841 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.736 5.410 3.569 1.00 9.11 C ATOM 0 H LEU A 50 -0.012 6.078 3.728 1.00 6.51 H new ATOM 0 HA LEU A 50 2.239 7.464 2.767 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.947 5.004 1.589 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.530 5.652 1.206 1.00 7.13 H new ATOM 0 HG LEU A 50 1.571 4.757 3.850 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.240 2.847 3.748 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.966 2.710 2.514 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.588 3.285 2.058 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.168 4.835 4.388 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.428 5.418 2.726 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.556 6.433 3.899 1.00 9.11 H new ATOM 813 N GLU A 51 1.446 8.428 0.569 1.00 9.43 N ATOM 814 CA GLU A 51 0.953 9.321 -0.502 1.00 11.90 C ATOM 815 C GLU A 51 1.506 8.906 -1.796 1.00 11.49 C ATOM 816 O GLU A 51 2.593 8.382 -1.885 1.00 9.88 O ATOM 817 CB GLU A 51 1.303 10.755 -0.108 1.00 16.56 C ATOM 818 CG GLU A 51 0.436 11.344 1.007 1.00 26.06 C ATOM 819 CD GLU A 51 -0.940 11.709 0.484 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.036 12.385 -0.587 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.998 11.317 1.147 1.00 32.13 O ATOM 0 H GLU A 51 2.459 8.444 0.683 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.129 9.261 -0.617 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.346 10.786 0.207 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.217 11.390 -0.990 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.342 10.623 1.819 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.919 12.229 1.420 1.00 26.06 H new ATOM 828 N ASP A 52 0.702 9.071 -2.830 1.00 12.71 N ATOM 829 CA ASP A 52 0.706 8.222 -4.031 1.00 16.56 C ATOM 830 C ASP A 52 1.884 8.178 -4.969 1.00 15.83 C ATOM 831 O ASP A 52 2.262 7.072 -5.367 1.00 17.21 O ATOM 832 CB ASP A 52 -0.493 8.591 -4.870 1.00 21.05 C ATOM 833 CG ASP A 52 -1.786 8.574 -4.137 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.963 9.211 -3.055 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.723 7.985 -4.700 1.00 28.37 O ATOM 0 H ASP A 52 0.006 9.816 -2.869 1.00 12.71 H new ATOM 0 HA ASP A 52 0.725 7.231 -3.578 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.338 9.587 -5.285 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.558 7.902 -5.712 1.00 21.05 H new ATOM 840 N GLY A 53 2.510 9.319 -5.335 1.00 15.00 N ATOM 841 CA GLY A 53 3.611 9.436 -6.251 1.00 11.77 C ATOM 842 C GLY A 53 4.909 8.965 -5.695 1.00 11.10 C ATOM 843 O GLY A 53 5.905 8.816 -6.444 1.00 11.25 O ATOM 0 H GLY A 53 2.224 10.225 -4.962 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.384 8.866 -7.152 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.712 10.479 -6.551 1.00 11.77 H new ATOM 847 N ARG A 54 4.926 8.734 -4.415 1.00 8.53 N ATOM 848 CA ARG A 54 6.222 8.530 -3.779 1.00 9.05 C ATOM 849 C ARG A 54 6.634 7.034 -3.883 1.00 8.96 C ATOM 850 O ARG A 54 5.822 6.076 -3.844 1.00 11.60 O ATOM 851 CB ARG A 54 6.235 9.054 -2.330 1.00 7.97 C ATOM 852 CG ARG A 54 5.671 10.480 -2.187 1.00 9.62 C ATOM 853 CD ARG A 54 5.898 11.183 -0.832 1.00 12.20 C ATOM 854 NE ARG A 54 5.071 12.403 -1.013 1.00 18.23 N ATOM 855 CZ ARG A 54 4.484 13.060 -0.011 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.831 12.868 1.272 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.483 13.890 -0.291 1.00 23.38 N ATOM 0 H ARG A 54 4.110 8.681 -3.805 1.00 8.53 H new ATOM 0 HA ARG A 54 6.971 9.116 -4.311 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.655 8.378 -1.702 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.258 9.037 -1.955 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.110 11.099 -2.969 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.598 10.442 -2.375 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.563 10.577 0.010 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.948 11.417 -0.658 1.00 12.20 H new ATOM 0 HE ARG A 54 4.944 12.760 -1.960 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.566 12.201 1.507 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.359 13.389 2.011 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.178 14.014 -1.256 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.020 14.402 0.460 1.00 23.38 H new ATOM 871 N THR A 55 7.996 6.736 -3.988 1.00 9.05 N ATOM 872 CA THR A 55 8.407 5.425 -4.063 1.00 9.03 C ATOM 873 C THR A 55 8.516 4.670 -2.742 1.00 8.15 C ATOM 874 O THR A 55 8.675 5.239 -1.660 1.00 5.91 O ATOM 875 CB THR A 55 9.729 5.287 -4.785 1.00 11.15 C ATOM 876 OG1 THR A 55 10.783 6.029 -4.233 1.00 11.95 O ATOM 877 CG2 THR A 55 9.724 5.515 -6.275 1.00 11.71 C ATOM 0 H THR A 55 8.744 7.429 -4.015 1.00 9.05 H new ATOM 0 HA THR A 55 7.593 4.963 -4.621 1.00 9.03 H new ATOM 0 HB THR A 55 9.902 4.223 -4.623 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.547 5.438 -4.068 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.733 5.385 -6.666 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.055 4.798 -6.751 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.380 6.527 -6.487 1.00 11.71 H new ATOM 885 N LEU A 56 8.481 3.313 -2.780 1.00 6.91 N ATOM 886 CA LEU A 56 8.825 2.490 -1.634 1.00 8.29 C ATOM 887 C LEU A 56 10.163 2.809 -1.057 1.00 8.05 C ATOM 888 O LEU A 56 10.316 2.923 0.208 1.00 10.17 O ATOM 889 CB LEU A 56 8.708 1.001 -2.020 1.00 6.60 C ATOM 890 CG LEU A 56 7.263 0.487 -2.464 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.419 -0.863 -3.141 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.325 0.468 -1.297 1.00 8.64 C ATOM 0 H LEU A 56 8.213 2.780 -3.608 1.00 6.91 H new ATOM 0 HA LEU A 56 8.114 2.715 -0.839 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.404 0.805 -2.835 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.036 0.402 -1.170 1.00 6.60 H new ATOM 0 HG LEU A 56 6.814 1.170 -3.185 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.441 -1.230 -3.451 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.062 -0.759 -4.015 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.867 -1.570 -2.443 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.347 0.115 -1.622 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.714 -0.199 -0.528 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.230 1.475 -0.890 1.00 8.64 H new ATOM 904 N SER A 57 11.205 3.055 -1.855 1.00 8.92 N ATOM 905 CA SER A 57 12.504 3.476 -1.435 1.00 9.00 C ATOM 906 C SER A 57 12.601 4.789 -0.673 1.00 9.44 C ATOM 907 O SER A 57 13.339 4.875 0.318 1.00 10.91 O ATOM 908 CB SER A 57 13.519 3.592 -2.596 1.00 10.32 C ATOM 909 OG SER A 57 13.119 4.393 -3.698 1.00 13.59 O ATOM 0 H SER A 57 11.140 2.954 -2.868 1.00 8.92 H new ATOM 0 HA SER A 57 12.743 2.664 -0.749 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.450 3.996 -2.199 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.737 2.589 -2.962 1.00 10.32 H new ATOM 0 HG SER A 57 13.830 4.400 -4.372 1.00 13.59 H new ATOM 915 N ASP A 58 11.777 5.761 -1.052 1.00 9.11 N ATOM 916 CA ASP A 58 11.668 7.118 -0.507 1.00 7.91 C ATOM 917 C ASP A 58 11.173 7.072 0.925 1.00 9.12 C ATOM 918 O ASP A 58 11.472 7.961 1.721 1.00 8.61 O ATOM 919 CB ASP A 58 10.721 8.059 -1.300 1.00 8.41 C ATOM 920 CG ASP A 58 10.721 9.509 -0.882 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.776 10.141 -0.895 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.610 10.009 -0.577 1.00 11.70 O ATOM 0 H ASP A 58 11.112 5.611 -1.811 1.00 9.11 H new ATOM 0 HA ASP A 58 12.676 7.527 -0.580 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.990 8.006 -2.355 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.704 7.677 -1.211 1.00 8.41 H new ATOM 927 N TYR A 59 10.379 6.017 1.282 1.00 7.97 N ATOM 928 CA TYR A 59 9.791 5.772 2.586 1.00 8.45 C ATOM 929 C TYR A 59 10.742 4.827 3.325 1.00 10.98 C ATOM 930 O TYR A 59 10.512 4.584 4.518 1.00 12.95 O ATOM 931 CB TYR A 59 8.451 5.052 2.484 1.00 7.94 C ATOM 932 CG TYR A 59 7.384 5.991 2.167 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.005 6.834 3.203 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.556 5.982 1.064 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.958 7.785 3.145 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.535 6.880 0.923 1.00 6.52 C ATOM 937 CZ TYR A 59 5.282 7.817 1.921 1.00 6.76 C ATOM 938 OH TYR A 59 4.233 8.772 1.691 1.00 7.63 O ATOM 0 H TYR A 59 10.134 5.289 0.611 1.00 7.97 H new ATOM 0 HA TYR A 59 9.638 6.728 3.087 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.504 4.282 1.715 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.231 4.548 3.425 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.554 6.758 4.130 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.719 5.246 0.291 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.703 8.429 3.973 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.922 6.862 0.034 1.00 6.52 H new ATOM 0 HH TYR A 59 4.591 9.680 1.782 1.00 7.63 H new ATOM 948 N ASN A 60 11.938 4.314 2.779 1.00 12.38 N ATOM 949 CA ASN A 60 12.954 3.590 3.508 1.00 13.94 C ATOM 950 C ASN A 60 12.556 2.165 3.786 1.00 14.16 C ATOM 951 O ASN A 60 13.175 1.414 4.512 1.00 14.26 O ATOM 952 CB ASN A 60 13.572 4.292 4.776 1.00 19.23 C ATOM 953 CG ASN A 60 13.937 5.778 4.510 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.222 6.639 5.046 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.956 5.988 3.656 1.00 24.09 N ATOM 0 H ASN A 60 12.171 4.427 1.792 1.00 12.38 H new ATOM 0 HA ASN A 60 13.787 3.590 2.806 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.862 4.237 5.601 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.465 3.751 5.088 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.209 6.939 3.388 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.475 5.196 3.277 1.00 24.09 H new ATOM 962 N ILE A 61 11.522 1.643 3.014 1.00 11.08 N ATOM 963 CA ILE A 61 10.983 0.211 3.150 1.00 11.78 C ATOM 964 C ILE A 61 11.906 -0.818 2.554 1.00 13.74 C ATOM 965 O ILE A 61 12.312 -0.815 1.381 1.00 14.60 O ATOM 966 CB ILE A 61 9.610 0.083 2.367 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.601 1.112 2.887 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.074 -1.353 2.267 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.373 1.341 2.033 1.00 11.42 C ATOM 0 H ILE A 61 11.045 2.186 2.294 1.00 11.08 H new ATOM 0 HA ILE A 61 10.876 0.027 4.219 1.00 11.78 H new ATOM 0 HB ILE A 61 9.803 0.331 1.323 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.274 0.799 3.879 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.116 2.065 3.007 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.133 -1.353 1.717 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.799 -1.977 1.744 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.909 -1.750 3.268 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.736 2.089 2.505 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.676 1.692 1.047 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.821 0.407 1.932 1.00 11.42 H new ATOM 981 N GLN A 62 12.270 -1.848 3.304 1.00 13.97 N ATOM 982 CA GLN A 62 13.206 -2.930 3.009 1.00 15.52 C ATOM 983 C GLN A 62 12.397 -4.233 2.737 1.00 13.94 C ATOM 984 O GLN A 62 11.192 -4.378 2.964 1.00 12.15 O ATOM 985 CB GLN A 62 14.043 -3.119 4.270 1.00 19.53 C ATOM 986 CG GLN A 62 14.724 -1.826 4.657 1.00 26.38 C ATOM 987 CD GLN A 62 15.645 -2.024 5.799 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.204 -3.069 6.045 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.849 -0.993 6.620 1.00 32.71 N ATOM 0 H GLN A 62 11.874 -1.960 4.237 1.00 13.97 H new ATOM 0 HA GLN A 62 13.827 -2.707 2.141 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.407 -3.460 5.087 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.791 -3.894 4.103 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.278 -1.435 3.804 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.973 -1.081 4.918 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.392 -0.099 6.439 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.462 -1.098 7.428 1.00 32.71 H new ATOM 998 N LYS A 63 13.060 -5.290 2.201 1.00 11.73 N ATOM 999 CA LYS A 63 12.377 -6.489 1.968 1.00 11.97 C ATOM 1000 C LYS A 63 11.596 -7.154 3.118 1.00 10.41 C ATOM 1001 O LYS A 63 12.034 -7.090 4.317 1.00 9.59 O ATOM 1002 CB LYS A 63 13.261 -7.596 1.305 1.00 13.73 C ATOM 1003 CG LYS A 63 14.335 -8.243 2.202 1.00 16.98 C ATOM 1004 CD LYS A 63 15.286 -9.073 1.344 1.00 20.19 C ATOM 1005 CE LYS A 63 14.625 -10.346 0.803 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.577 -11.108 -0.068 1.00 25.97 N ATOM 0 H LYS A 63 14.047 -5.292 1.943 1.00 11.73 H new ATOM 0 HA LYS A 63 11.619 -6.097 1.290 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.603 -8.384 0.937 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.757 -7.163 0.436 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.890 -7.472 2.736 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.863 -8.875 2.954 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.640 -8.468 0.509 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.161 -9.344 1.935 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.301 -10.974 1.633 1.00 23.42 H new ATOM 0 HE3 LYS A 63 13.733 -10.085 0.234 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.110 -11.966 -0.424 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.866 -10.513 -0.870 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.416 -11.375 0.485 1.00 25.97 H new ATOM 1020 N GLU A 64 10.479 -7.782 2.838 1.00 10.04 N ATOM 1021 CA GLU A 64 9.556 -8.440 3.747 1.00 10.94 C ATOM 1022 C GLU A 64 8.867 -7.493 4.740 1.00 9.74 C ATOM 1023 O GLU A 64 8.409 -7.948 5.800 1.00 9.42 O ATOM 1024 CB GLU A 64 10.201 -9.736 4.300 1.00 18.31 C ATOM 1025 CG GLU A 64 10.471 -10.798 3.216 1.00 24.16 C ATOM 1026 CD GLU A 64 11.311 -11.918 3.727 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.899 -12.564 4.715 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.338 -12.254 3.070 1.00 31.72 O ATOM 0 H GLU A 64 10.157 -7.855 1.873 1.00 10.04 H new ATOM 0 HA GLU A 64 8.679 -8.780 3.197 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.140 -9.484 4.792 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.547 -10.162 5.060 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.523 -11.193 2.852 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.969 -10.330 2.366 1.00 24.16 H new ATOM 1035 N SER A 65 8.826 -6.191 4.487 1.00 6.85 N ATOM 1036 CA SER A 65 8.175 -5.235 5.357 1.00 6.90 C ATOM 1037 C SER A 65 6.685 -5.371 5.400 1.00 4.72 C ATOM 1038 O SER A 65 6.033 -5.702 4.457 1.00 3.91 O ATOM 1039 CB SER A 65 8.454 -3.744 4.891 1.00 7.28 C ATOM 1040 OG SER A 65 9.814 -3.409 5.071 1.00 10.56 O ATOM 0 H SER A 65 9.251 -5.770 3.661 1.00 6.85 H new ATOM 0 HA SER A 65 8.595 -5.449 6.340 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.182 -3.629 3.842 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.827 -3.057 5.460 1.00 7.28 H new ATOM 0 HG SER A 65 10.317 -3.638 4.262 1.00 10.56 H new ATOM 1046 N THR A 66 6.150 -5.080 6.559 1.00 4.48 N ATOM 1047 CA THR A 66 4.785 -5.261 6.874 1.00 3.80 C ATOM 1048 C THR A 66 4.228 -3.874 6.842 1.00 4.60 C ATOM 1049 O THR A 66 4.828 -2.952 7.412 1.00 5.33 O ATOM 1050 CB THR A 66 4.565 -5.781 8.263 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.315 -6.944 8.432 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.075 -6.117 8.410 1.00 3.40 C ATOM 0 H THR A 66 6.692 -4.694 7.332 1.00 4.48 H new ATOM 0 HA THR A 66 4.334 -5.976 6.186 1.00 3.80 H new ATOM 0 HB THR A 66 4.865 -5.042 9.006 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.180 -7.292 9.338 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.885 -6.499 9.413 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.481 -5.218 8.245 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.799 -6.874 7.676 1.00 3.40 H new ATOM 1060 N LEU A 67 3.059 -3.670 6.225 1.00 4.17 N ATOM 1061 CA LEU A 67 2.363 -2.446 6.103 1.00 3.85 C ATOM 1062 C LEU A 67 0.873 -2.581 6.443 1.00 3.80 C ATOM 1063 O LEU A 67 0.381 -3.686 6.715 1.00 5.54 O ATOM 1064 CB LEU A 67 2.334 -1.896 4.655 1.00 7.18 C ATOM 1065 CG LEU A 67 3.691 -1.614 3.987 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.290 -2.758 3.185 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.536 -0.363 3.121 1.00 11.66 C ATOM 0 H LEU A 67 2.561 -4.436 5.772 1.00 4.17 H new ATOM 0 HA LEU A 67 2.905 -1.793 6.786 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.792 -2.608 4.033 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.758 -0.971 4.656 1.00 7.18 H new ATOM 0 HG LEU A 67 4.411 -1.470 4.793 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.244 -2.445 2.761 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.447 -3.617 3.838 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.609 -3.034 2.380 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.485 -0.138 2.634 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.771 -0.537 2.364 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.241 0.479 3.747 1.00 11.66 H new ATOM 1079 N HIS A 68 0.079 -1.528 6.477 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.415 -1.608 6.764 1.00 4.17 C ATOM 1081 C HIS A 68 -2.201 -1.165 5.614 1.00 5.32 C ATOM 1082 O HIS A 68 -1.893 -0.206 4.870 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.831 -0.816 7.977 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.949 -1.197 9.120 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.299 -0.621 9.426 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.105 -2.150 9.972 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.879 -1.413 10.388 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.012 -2.288 10.823 1.00 16.30 N ATOM 0 H HIS A 68 0.411 -0.578 6.312 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.614 -2.660 6.967 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.751 0.252 7.777 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.874 -1.017 8.221 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.697 0.223 9.013 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.986 -2.773 10.021 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.899 -1.333 10.733 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.362 -1.838 5.339 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.366 -1.471 4.373 1.00 3.97 C ATOM 1098 C LEU A 69 -5.626 -1.181 5.100 1.00 5.07 C ATOM 1099 O LEU A 69 -6.127 -1.970 5.968 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.626 -2.457 3.280 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.840 -2.206 2.356 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.499 -1.060 1.386 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.123 -3.498 1.508 1.00 9.96 C ATOM 0 H LEU A 69 -3.605 -2.697 5.833 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.970 -0.599 3.852 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.734 -2.507 2.655 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.750 -3.439 3.737 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.712 -1.953 2.959 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.349 -0.874 0.729 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.275 -0.157 1.954 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.631 -1.336 0.787 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.979 -3.325 0.855 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.248 -3.735 0.904 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.339 -4.332 2.176 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.167 -0.003 4.860 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.447 0.378 5.403 1.00 6.26 C ATOM 1117 C VAL A 70 -8.254 0.925 4.261 1.00 9.22 C ATOM 1118 O VAL A 70 -7.647 1.210 3.230 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.402 1.356 6.555 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.787 0.670 7.758 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.707 2.779 6.325 1.00 8.54 C ATOM 0 H VAL A 70 -5.728 0.714 4.282 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.898 -0.509 5.848 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.448 1.627 6.699 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.750 1.367 8.595 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.392 -0.194 8.032 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.776 0.343 7.513 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.757 3.361 7.245 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.664 2.633 6.044 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.226 3.313 5.529 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.594 1.154 4.421 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.427 1.681 3.308 1.00 16.06 C ATOM 1133 C LEU A 71 -11.213 2.932 3.673 1.00 18.09 C ATOM 1134 O LEU A 71 -11.893 3.004 4.705 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.454 0.622 2.792 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.747 -0.593 2.244 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.768 -1.608 1.785 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.783 -0.204 1.140 1.00 19.57 C ATOM 0 H LEU A 71 -10.103 0.985 5.288 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.703 1.929 2.531 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.116 0.326 3.605 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.079 1.064 2.016 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.149 -1.052 3.031 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.256 -2.485 1.389 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.393 -1.902 2.628 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.392 -1.170 1.006 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.285 -1.096 0.761 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.332 0.277 0.331 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.038 0.487 1.534 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.166 3.914 2.784 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.916 5.142 2.881 1.00 25.83 C ATOM 1152 C ARG A 72 -13.395 5.078 2.771 1.00 27.74 C ATOM 1153 O ARG A 72 -13.909 4.650 1.759 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.443 6.103 1.767 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.700 7.591 2.057 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.752 8.469 1.293 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.201 9.862 1.636 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.563 10.955 1.256 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.573 10.860 0.333 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.910 12.196 1.689 1.00 35.02 N ATOM 0 H ARG A 72 -10.582 3.868 1.949 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.714 5.465 3.902 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.375 5.956 1.607 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.944 5.835 0.837 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.727 7.843 1.791 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.592 7.779 3.125 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.718 8.297 1.592 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.809 8.282 0.221 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.048 9.970 2.195 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.328 9.951 -0.060 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.074 11.697 0.032 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.692 12.311 2.334 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.389 13.012 1.369 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.109 5.382 3.904 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.549 5.431 3.802 1.00 30.76 C ATOM 1176 C LEU A 73 -16.057 6.637 2.993 1.00 32.18 C ATOM 1177 O LEU A 73 -15.809 7.820 3.204 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.109 5.559 5.198 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.869 4.386 6.149 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.503 4.761 7.577 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.408 3.004 5.643 1.00 29.11 C ATOM 0 H LEU A 73 -13.715 5.579 4.824 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.871 4.523 3.291 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.687 6.456 5.652 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.185 5.717 5.119 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.791 4.243 6.217 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.344 3.938 8.273 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.024 5.661 7.963 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.572 4.940 7.465 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.191 2.235 6.385 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.485 3.067 5.491 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.923 2.747 4.701 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.892 6.270 1.957 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.430 7.308 1.084 1.00 35.33 C ATOM 1195 C ARG A 74 -18.168 8.512 1.784 1.00 36.22 C ATOM 1196 O ARG A 74 -18.862 8.415 2.864 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.332 6.805 -0.105 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.457 5.910 -0.993 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.133 6.402 -1.516 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.493 5.420 -2.362 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.611 5.746 -3.355 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.915 6.841 -3.263 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.382 4.973 -4.376 1.00 41.93 N ATOM 0 H ARG A 74 -17.177 5.315 1.738 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.489 7.682 0.681 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.191 6.250 0.272 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.722 7.648 -0.675 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.260 4.996 -0.432 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.059 5.630 -1.858 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.284 7.324 -2.078 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.478 6.643 -0.679 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.710 4.435 -2.211 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.029 7.451 -2.453 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.256 7.090 -4.000 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.870 4.081 -4.460 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.715 5.259 -5.093 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.992 9.700 1.188 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.551 10.968 1.767 1.00 36.07 C ATOM 1219 C GLY A 75 -17.577 11.953 2.290 1.00 36.16 C ATOM 1220 O GLY A 75 -17.892 13.127 2.421 1.00 36.26 O ATOM 0 H GLY A 75 -17.477 9.828 0.317 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.148 11.457 0.998 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.230 10.701 2.576 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.373 11.478 2.628 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.293 12.325 3.171 1.00 36.19 C ATOM 1226 C GLY A 76 -13.905 11.740 3.118 1.00 36.20 C ATOM 1227 O GLY A 76 -12.948 12.397 3.567 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.707 10.584 2.680 1.00 0.00 O ATOM 0 H GLY A 76 -16.115 10.496 2.535 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.289 13.269 2.626 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.528 12.558 4.209 1.00 36.19 H new TER 1232 GLY A 76