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 25 ASN : amide:sc= -0.0762 K(o=-0.076,f=-0.98) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0472) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 169:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 130:sc= 0.804 USER MOD Single : A 1 MET CE :methyl -150:sc= 0 (180deg=-1.28) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.28 (180deg=1.1) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 7 THR OG1 : rot 97:sc= 0.286 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= 0.849 (180deg=-0.889!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.56 USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 2.12 (180deg=1.92) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.747 K(o=0.75,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 THR OG1 : rot -80:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.282 USER MOD Single : A 60 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.014) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 68 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.390 -7.194 -5.070 1.00 9.67 N ATOM 2 CA MET A 1 11.552 -7.543 -3.639 1.00 10.38 C ATOM 3 C MET A 1 10.191 -7.921 -3.022 1.00 9.62 C ATOM 4 O MET A 1 9.199 -7.465 -3.539 1.00 9.62 O ATOM 5 CB MET A 1 12.210 -6.403 -2.826 1.00 13.77 C ATOM 6 CG MET A 1 11.332 -5.235 -2.410 1.00 16.29 C ATOM 7 SD MET A 1 12.266 -3.997 -1.436 1.00 17.17 S ATOM 8 CE MET A 1 10.826 -3.034 -0.936 1.00 16.11 C ATOM 0 H1 MET A 1 12.112 -6.496 -5.341 1.00 9.67 H new ATOM 0 H2 MET A 1 11.501 -8.050 -5.651 1.00 9.67 H new ATOM 0 H3 MET A 1 10.444 -6.791 -5.224 1.00 9.67 H new ATOM 0 HA MET A 1 12.222 -8.402 -3.592 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.638 -6.839 -1.923 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.039 -6.007 -3.413 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.914 -4.760 -3.298 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.492 -5.603 -1.821 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.114 -1.991 -0.804 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.057 -3.104 -1.705 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.436 -3.424 0.004 1.00 16.11 H new ATOM 20 N GLN A 2 10.138 -8.802 -2.050 1.00 9.27 N ATOM 21 CA GLN A 2 8.924 -9.091 -1.343 1.00 9.07 C ATOM 22 C GLN A 2 8.537 -7.969 -0.318 1.00 8.72 C ATOM 23 O GLN A 2 9.426 -7.383 0.276 1.00 8.22 O ATOM 24 CB GLN A 2 9.026 -10.508 -0.686 1.00 14.46 C ATOM 25 CG GLN A 2 7.793 -10.952 0.090 1.00 17.01 C ATOM 26 CD GLN A 2 8.018 -12.372 0.496 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.680 -12.797 1.416 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.392 -13.327 -0.259 1.00 19.49 N ATOM 0 H GLN A 2 10.944 -9.339 -1.730 1.00 9.27 H new ATOM 0 HA GLN A 2 8.103 -9.105 -2.060 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.227 -11.240 -1.468 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.883 -10.518 -0.012 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.641 -10.321 0.965 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.898 -10.865 -0.526 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.815 -13.051 -1.053 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.503 -14.314 -0.027 1.00 19.49 H new ATOM 37 N ILE A 3 7.217 -7.673 -0.226 1.00 5.87 N ATOM 38 CA ILE A 3 6.655 -6.969 0.872 1.00 5.07 C ATOM 39 C ILE A 3 5.283 -7.627 1.203 1.00 4.01 C ATOM 40 O ILE A 3 4.794 -8.491 0.472 1.00 4.61 O ATOM 41 CB ILE A 3 6.441 -5.499 0.560 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.505 -5.279 -0.594 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.800 -4.737 0.333 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.717 -3.942 -0.449 1.00 10.83 C ATOM 0 H ILE A 3 6.535 -7.935 -0.938 1.00 5.87 H new ATOM 0 HA ILE A 3 7.344 -7.024 1.715 1.00 5.07 H new ATOM 0 HB ILE A 3 5.964 -5.076 1.444 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.071 -5.269 -1.525 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.803 -6.110 -0.657 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.597 -3.689 0.113 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.411 -4.807 1.233 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.334 -5.187 -0.504 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.050 -3.818 -1.303 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.130 -3.963 0.469 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.418 -3.108 -0.412 1.00 10.83 H new ATOM 56 N PHE A 4 4.763 -7.378 2.398 1.00 4.55 N ATOM 57 CA PHE A 4 3.506 -7.906 2.883 1.00 4.68 C ATOM 58 C PHE A 4 2.560 -6.744 3.193 1.00 5.30 C ATOM 59 O PHE A 4 3.027 -5.653 3.439 1.00 5.58 O ATOM 60 CB PHE A 4 3.674 -8.686 4.248 1.00 4.83 C ATOM 61 CG PHE A 4 4.514 -9.914 4.068 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.029 -11.005 3.314 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.800 -10.024 4.655 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.804 -12.138 3.170 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.607 -11.120 4.448 1.00 10.61 C ATOM 66 CZ PHE A 4 6.070 -12.168 3.762 1.00 8.90 C ATOM 0 H PHE A 4 5.229 -6.778 3.079 1.00 4.55 H new ATOM 0 HA PHE A 4 3.128 -8.574 2.109 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.134 -8.033 4.990 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.694 -8.966 4.634 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.054 -10.953 2.851 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.158 -9.223 5.284 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.439 -12.986 2.610 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.623 -11.148 4.814 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.655 -13.071 3.671 1.00 8.90 H new ATOM 76 N VAL A 5 1.260 -6.980 3.192 1.00 4.44 N ATOM 77 CA VAL A 5 0.305 -5.962 3.431 1.00 3.87 C ATOM 78 C VAL A 5 -0.713 -6.591 4.356 1.00 4.93 C ATOM 79 O VAL A 5 -1.067 -7.782 4.169 1.00 6.84 O ATOM 80 CB VAL A 5 -0.383 -5.510 2.193 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.286 -4.343 2.470 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.611 -5.011 1.038 1.00 9.13 C ATOM 0 H VAL A 5 0.854 -7.900 3.021 1.00 4.44 H new ATOM 0 HA VAL A 5 0.795 -5.080 3.845 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.925 -6.394 1.858 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.775 -4.034 1.546 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.041 -4.632 3.201 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.698 -3.514 2.864 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.032 -4.698 0.169 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.200 -4.170 1.403 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.278 -5.825 0.755 1.00 9.13 H new ATOM 92 N LYS A 6 -1.133 -5.977 5.513 1.00 6.04 N ATOM 93 CA LYS A 6 -2.178 -6.548 6.379 1.00 6.12 C ATOM 94 C LYS A 6 -3.339 -5.625 6.489 1.00 6.57 C ATOM 95 O LYS A 6 -3.204 -4.415 6.606 1.00 5.76 O ATOM 96 CB LYS A 6 -1.629 -6.729 7.827 1.00 7.45 C ATOM 97 CG LYS A 6 -0.531 -7.831 7.924 1.00 11.12 C ATOM 98 CD LYS A 6 -0.036 -8.005 9.427 1.00 14.54 C ATOM 99 CE LYS A 6 0.830 -9.268 9.705 1.00 18.84 C ATOM 100 NZ LYS A 6 0.099 -10.569 9.766 1.00 20.55 N ATOM 0 H LYS A 6 -0.754 -5.092 5.849 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.478 -7.498 5.937 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.218 -5.782 8.176 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.453 -6.984 8.494 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.926 -8.777 7.554 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.313 -7.567 7.287 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.540 -7.122 9.706 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.910 -8.034 10.078 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.591 -9.339 8.928 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.352 -9.124 10.651 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.783 -11.352 9.769 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.472 -10.606 10.634 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.524 -10.656 8.938 1.00 20.55 H new ATOM 114 N THR A 7 -4.589 -6.104 6.387 1.00 7.41 N ATOM 115 CA THR A 7 -5.761 -5.290 6.354 1.00 7.48 C ATOM 116 C THR A 7 -6.573 -5.238 7.626 1.00 8.75 C ATOM 117 O THR A 7 -6.395 -6.050 8.527 1.00 8.58 O ATOM 118 CB THR A 7 -6.662 -5.794 5.243 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.073 -7.139 5.489 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.947 -5.950 3.935 1.00 9.17 C ATOM 0 H THR A 7 -4.792 -7.102 6.325 1.00 7.41 H new ATOM 0 HA THR A 7 -5.397 -4.274 6.198 1.00 7.48 H new ATOM 0 HB THR A 7 -7.467 -5.060 5.210 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.960 -7.139 5.907 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.644 -6.313 3.180 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.545 -4.986 3.623 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.131 -6.664 4.049 1.00 9.17 H new ATOM 128 N LEU A 8 -7.490 -4.245 7.816 1.00 9.84 N ATOM 129 CA LEU A 8 -8.062 -3.990 9.117 1.00 14.15 C ATOM 130 C LEU A 8 -9.014 -5.052 9.620 1.00 17.37 C ATOM 131 O LEU A 8 -9.194 -5.157 10.781 1.00 17.01 O ATOM 132 CB LEU A 8 -8.749 -2.629 9.065 1.00 16.63 C ATOM 133 CG LEU A 8 -9.346 -2.054 10.371 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.255 -1.776 11.436 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.132 -0.830 10.009 1.00 18.59 C ATOM 0 H LEU A 8 -7.828 -3.629 7.076 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.244 -4.006 9.838 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.026 -1.907 8.685 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.553 -2.691 8.332 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.008 -2.784 10.837 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.719 -1.373 12.336 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -7.738 -2.705 11.679 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -7.539 -1.054 11.043 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.568 -0.398 10.910 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.473 -0.100 9.539 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -10.927 -1.101 9.315 1.00 18.59 H new ATOM 147 N THR A 9 -9.569 -5.781 8.694 1.00 18.33 N ATOM 148 CA THR A 9 -10.541 -6.852 8.862 1.00 19.24 C ATOM 149 C THR A 9 -9.820 -8.253 8.802 1.00 19.48 C ATOM 150 O THR A 9 -10.420 -9.310 8.700 1.00 23.14 O ATOM 151 CB THR A 9 -11.685 -6.769 7.887 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.259 -6.816 6.558 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.491 -5.552 8.079 1.00 19.70 C ATOM 0 H THR A 9 -9.340 -5.637 7.711 1.00 18.33 H new ATOM 0 HA THR A 9 -10.990 -6.732 9.848 1.00 19.24 H new ATOM 0 HB THR A 9 -12.300 -7.645 8.093 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.036 -6.761 5.963 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.304 -5.536 7.353 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.904 -5.545 9.088 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.862 -4.673 7.938 1.00 19.70 H new ATOM 161 N GLY A 10 -8.486 -8.175 8.884 1.00 19.43 N ATOM 162 CA GLY A 10 -7.704 -9.335 9.297 1.00 18.74 C ATOM 163 C GLY A 10 -7.191 -10.189 8.231 1.00 17.62 C ATOM 164 O GLY A 10 -6.778 -11.361 8.538 1.00 19.74 O ATOM 0 H GLY A 10 -7.940 -7.339 8.674 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.859 -8.983 9.888 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.322 -9.946 9.956 1.00 18.74 H new ATOM 168 N LYS A 11 -7.038 -9.742 6.989 1.00 13.56 N ATOM 169 CA LYS A 11 -6.322 -10.507 5.972 1.00 11.91 C ATOM 170 C LYS A 11 -4.834 -10.117 5.963 1.00 10.18 C ATOM 171 O LYS A 11 -4.434 -8.932 6.159 1.00 9.10 O ATOM 172 CB LYS A 11 -6.958 -10.312 4.570 1.00 13.43 C ATOM 173 CG LYS A 11 -6.636 -11.371 3.537 1.00 16.69 C ATOM 174 CD LYS A 11 -7.317 -11.179 2.147 1.00 17.92 C ATOM 175 CE LYS A 11 -7.320 -12.501 1.329 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.143 -12.357 0.099 1.00 21.93 N ATOM 0 H LYS A 11 -7.403 -8.848 6.660 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.401 -11.565 6.221 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.041 -10.267 4.688 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.639 -9.345 4.181 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.556 -11.397 3.393 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.928 -12.343 3.935 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.341 -10.834 2.287 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.793 -10.404 1.587 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.299 -12.770 1.060 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.712 -13.313 1.942 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.992 -12.952 0.178 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.426 -11.363 -0.015 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.587 -12.655 -0.728 1.00 21.93 H new ATOM 190 N THR A 12 -3.986 -11.116 5.645 1.00 9.63 N ATOM 191 CA THR A 12 -2.545 -10.975 5.400 1.00 9.85 C ATOM 192 C THR A 12 -2.248 -11.428 3.986 1.00 11.66 C ATOM 193 O THR A 12 -2.291 -12.596 3.604 1.00 12.33 O ATOM 194 CB THR A 12 -1.617 -11.788 6.414 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.730 -11.116 7.630 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.110 -11.590 6.137 1.00 9.63 C ATOM 0 H THR A 12 -4.304 -12.080 5.549 1.00 9.63 H new ATOM 0 HA THR A 12 -2.307 -9.922 5.554 1.00 9.85 H new ATOM 0 HB THR A 12 -1.910 -12.836 6.360 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.938 -11.758 8.341 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.471 -12.166 6.857 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.122 -11.930 5.128 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.141 -10.534 6.230 1.00 9.63 H new ATOM 204 N ILE A 13 -1.883 -10.417 3.170 1.00 10.42 N ATOM 205 CA ILE A 13 -1.523 -10.642 1.731 1.00 11.84 C ATOM 206 C ILE A 13 0.002 -10.433 1.426 1.00 10.55 C ATOM 207 O ILE A 13 0.714 -9.820 2.201 1.00 11.92 O ATOM 208 CB ILE A 13 -2.408 -9.880 0.751 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.307 -8.353 0.898 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.871 -10.310 0.932 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.112 -7.484 -0.092 1.00 16.46 C ATOM 0 H ILE A 13 -1.826 -9.443 3.467 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.728 -11.700 1.566 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.050 -10.129 -0.248 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.623 -8.091 1.908 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.256 -8.076 0.811 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.500 -9.763 0.230 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.962 -11.380 0.744 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.191 -10.093 1.951 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.945 -6.430 0.130 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.786 -7.696 -1.110 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.174 -7.712 0.004 1.00 16.46 H new ATOM 223 N THR A 14 0.499 -11.054 0.316 1.00 9.39 N ATOM 224 CA THR A 14 1.891 -10.983 -0.010 1.00 9.63 C ATOM 225 C THR A 14 2.069 -10.324 -1.359 1.00 11.20 C ATOM 226 O THR A 14 1.394 -10.765 -2.290 1.00 11.63 O ATOM 227 CB THR A 14 2.428 -12.416 -0.223 1.00 10.38 C ATOM 228 OG1 THR A 14 2.118 -13.190 0.920 1.00 16.30 O ATOM 229 CG2 THR A 14 3.987 -12.459 -0.428 1.00 11.66 C ATOM 0 H THR A 14 -0.065 -11.595 -0.340 1.00 9.39 H new ATOM 0 HA THR A 14 2.397 -10.443 0.790 1.00 9.63 H new ATOM 0 HB THR A 14 1.958 -12.807 -1.126 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.452 -14.103 0.797 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.307 -13.491 -0.573 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.255 -11.870 -1.305 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.481 -12.046 0.451 1.00 11.66 H new ATOM 237 N LEU A 15 3.013 -9.404 -1.542 1.00 8.29 N ATOM 238 CA LEU A 15 3.085 -8.751 -2.848 1.00 9.03 C ATOM 239 C LEU A 15 4.522 -8.506 -3.300 1.00 8.59 C ATOM 240 O LEU A 15 5.461 -8.175 -2.569 1.00 7.79 O ATOM 241 CB LEU A 15 2.253 -7.454 -2.851 1.00 11.08 C ATOM 242 CG LEU A 15 2.290 -6.588 -4.102 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.873 -7.126 -5.503 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.557 -5.224 -3.754 1.00 15.27 C ATOM 0 H LEU A 15 3.701 -9.106 -0.850 1.00 8.29 H new ATOM 0 HA LEU A 15 2.652 -9.434 -3.579 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.214 -7.723 -2.661 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.583 -6.843 -2.011 1.00 11.08 H new ATOM 0 HG LEU A 15 3.358 -6.510 -4.303 1.00 15.79 H new ATOM 0 HD11 LEU A 15 1.980 -6.333 -6.244 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.512 -7.966 -5.775 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.835 -7.456 -5.472 1.00 15.88 H new ATOM 0 HD21 LEU A 15 1.563 -4.574 -4.629 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.527 -5.429 -3.461 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.077 -4.731 -2.932 1.00 15.27 H new ATOM 256 N GLU A 16 4.778 -8.774 -4.564 1.00 11.04 N ATOM 257 CA GLU A 16 6.070 -8.536 -5.153 1.00 11.50 C ATOM 258 C GLU A 16 6.183 -7.279 -5.844 1.00 10.13 C ATOM 259 O GLU A 16 5.462 -6.903 -6.775 1.00 9.83 O ATOM 260 CB GLU A 16 6.491 -9.660 -6.053 1.00 17.22 C ATOM 261 CG GLU A 16 7.913 -9.556 -6.668 1.00 23.33 C ATOM 262 CD GLU A 16 8.470 -10.856 -7.158 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.140 -11.595 -6.373 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.196 -11.218 -8.346 1.00 28.90 O ATOM 0 H GLU A 16 4.091 -9.164 -5.209 1.00 11.04 H new ATOM 0 HA GLU A 16 6.751 -8.484 -4.304 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.430 -10.591 -5.489 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.771 -9.733 -6.868 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.886 -8.850 -7.498 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.590 -9.143 -5.920 1.00 23.33 H new ATOM 271 N VAL A 17 7.112 -6.416 -5.335 1.00 8.99 N ATOM 272 CA VAL A 17 7.169 -5.003 -5.760 1.00 8.85 C ATOM 273 C VAL A 17 8.666 -4.745 -6.034 1.00 8.04 C ATOM 274 O VAL A 17 9.501 -5.610 -5.868 1.00 8.99 O ATOM 275 CB VAL A 17 6.816 -4.037 -4.589 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.332 -4.119 -4.222 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.712 -4.304 -3.366 1.00 10.54 C ATOM 0 H VAL A 17 7.815 -6.677 -4.643 1.00 8.99 H new ATOM 0 HA VAL A 17 6.487 -4.838 -6.594 1.00 8.85 H new ATOM 0 HB VAL A 17 7.009 -3.020 -4.929 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.121 -3.432 -3.402 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.728 -3.847 -5.087 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.089 -5.136 -3.915 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.446 -3.617 -2.563 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.570 -5.330 -3.028 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.756 -4.154 -3.640 1.00 10.54 H new ATOM 287 N GLU A 18 8.976 -3.495 -6.447 1.00 7.29 N ATOM 288 CA GLU A 18 10.328 -2.937 -6.557 1.00 7.08 C ATOM 289 C GLU A 18 10.340 -1.738 -5.545 1.00 6.45 C ATOM 290 O GLU A 18 9.268 -1.147 -5.296 1.00 5.28 O ATOM 291 CB GLU A 18 10.600 -2.450 -7.968 1.00 10.28 C ATOM 292 CG GLU A 18 12.023 -2.040 -8.320 1.00 12.65 C ATOM 293 CD GLU A 18 12.146 -1.549 -9.791 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.112 -1.412 -10.499 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.305 -1.466 -10.257 1.00 14.33 O ATOM 0 H GLU A 18 8.256 -2.827 -6.722 1.00 7.29 H new ATOM 0 HA GLU A 18 11.098 -3.676 -6.337 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.300 -3.239 -8.657 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.950 -1.596 -8.158 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.348 -1.248 -7.646 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.692 -2.886 -8.164 1.00 12.65 H new ATOM 302 N PRO A 19 11.480 -1.326 -4.973 1.00 7.24 N ATOM 303 CA PRO A 19 11.649 -0.153 -4.165 1.00 7.07 C ATOM 304 C PRO A 19 11.291 1.183 -4.845 1.00 6.65 C ATOM 305 O PRO A 19 10.680 2.052 -4.226 1.00 6.37 O ATOM 306 CB PRO A 19 13.119 -0.164 -3.737 1.00 7.61 C ATOM 307 CG PRO A 19 13.629 -1.623 -3.820 1.00 8.16 C ATOM 308 CD PRO A 19 12.642 -2.241 -4.893 1.00 7.49 C ATOM 0 HA PRO A 19 10.948 -0.201 -3.332 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.710 0.484 -4.385 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.224 0.219 -2.722 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.669 -1.676 -4.141 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.565 -2.135 -2.860 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.131 -2.332 -5.863 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.328 -3.242 -4.599 1.00 7.49 H new ATOM 316 N SER A 20 11.498 1.324 -6.132 1.00 6.80 N ATOM 317 CA SER A 20 11.129 2.567 -6.710 1.00 6.28 C ATOM 318 C SER A 20 9.660 2.681 -7.084 1.00 8.45 C ATOM 319 O SER A 20 9.274 3.766 -7.510 1.00 7.26 O ATOM 320 CB SER A 20 11.896 2.841 -8.026 1.00 8.57 C ATOM 321 OG SER A 20 13.275 2.754 -7.818 1.00 11.13 O ATOM 0 H SER A 20 11.899 0.628 -6.761 1.00 6.80 H new ATOM 0 HA SER A 20 11.370 3.280 -5.922 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.591 2.123 -8.787 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.641 3.832 -8.402 1.00 8.57 H new ATOM 0 HG SER A 20 13.745 2.928 -8.660 1.00 11.13 H new ATOM 327 N ASP A 21 8.829 1.672 -6.862 1.00 7.50 N ATOM 328 CA ASP A 21 7.371 1.717 -7.193 1.00 7.70 C ATOM 329 C ASP A 21 6.653 2.768 -6.421 1.00 7.08 C ATOM 330 O ASP A 21 6.789 2.867 -5.164 1.00 8.11 O ATOM 331 CB ASP A 21 6.653 0.382 -7.084 1.00 11.00 C ATOM 332 CG ASP A 21 7.183 -0.694 -8.091 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.773 -0.238 -9.108 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.036 -1.898 -7.912 1.00 18.03 O ATOM 0 H ASP A 21 9.126 0.788 -6.448 1.00 7.50 H new ATOM 0 HA ASP A 21 7.345 1.981 -8.250 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.761 0.002 -6.068 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.588 0.536 -7.256 1.00 11.00 H new ATOM 339 N THR A 22 5.831 3.521 -7.156 1.00 5.37 N ATOM 340 CA THR A 22 5.042 4.538 -6.494 1.00 6.01 C ATOM 341 C THR A 22 3.973 3.940 -5.716 1.00 8.01 C ATOM 342 O THR A 22 3.475 2.843 -5.958 1.00 8.11 O ATOM 343 CB THR A 22 4.472 5.647 -7.411 1.00 8.92 C ATOM 344 OG1 THR A 22 3.613 5.162 -8.489 1.00 10.22 O ATOM 345 CG2 THR A 22 5.696 6.358 -8.049 1.00 9.65 C ATOM 0 H THR A 22 5.703 3.446 -8.165 1.00 5.37 H new ATOM 0 HA THR A 22 5.753 5.044 -5.841 1.00 6.01 H new ATOM 0 HB THR A 22 3.846 6.297 -6.799 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.423 5.895 -9.111 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.351 7.154 -8.709 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.320 6.783 -7.263 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.277 5.637 -8.623 1.00 9.65 H new ATOM 353 N ILE A 23 3.507 4.619 -4.602 1.00 8.32 N ATOM 354 CA ILE A 23 2.286 4.253 -3.884 1.00 9.92 C ATOM 355 C ILE A 23 1.055 4.225 -4.741 1.00 10.01 C ATOM 356 O ILE A 23 0.205 3.367 -4.633 1.00 8.71 O ATOM 357 CB ILE A 23 2.045 5.124 -2.639 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.317 5.140 -1.702 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.760 4.649 -1.887 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.799 3.764 -1.264 1.00 12.30 C ATOM 0 H ILE A 23 3.987 5.426 -4.203 1.00 8.32 H new ATOM 0 HA ILE A 23 2.469 3.229 -3.559 1.00 9.92 H new ATOM 0 HB ILE A 23 1.878 6.153 -2.956 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.130 5.646 -2.223 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.091 5.731 -0.814 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.601 5.274 -1.008 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.101 4.730 -2.551 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.882 3.611 -1.577 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.675 3.872 -0.625 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.006 3.260 -0.711 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.061 3.174 -2.142 1.00 12.30 H new ATOM 372 N GLU A 24 1.027 5.146 -5.748 1.00 9.54 N ATOM 373 CA GLU A 24 0.003 5.123 -6.836 1.00 11.81 C ATOM 374 C GLU A 24 0.023 3.783 -7.674 1.00 11.14 C ATOM 375 O GLU A 24 -1.021 3.210 -7.975 1.00 10.62 O ATOM 376 CB GLU A 24 0.318 6.254 -7.844 1.00 19.24 C ATOM 377 CG GLU A 24 -0.624 6.520 -8.993 1.00 27.76 C ATOM 378 CD GLU A 24 -1.921 7.082 -8.498 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.987 8.317 -8.372 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.917 6.262 -8.463 1.00 36.51 O ATOM 0 H GLU A 24 1.698 5.910 -5.829 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.966 5.232 -6.349 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.407 7.180 -7.276 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.299 6.046 -8.270 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.164 7.218 -9.693 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.808 5.595 -9.540 1.00 27.76 H new ATOM 387 N ASN A 25 1.232 3.301 -7.985 1.00 9.43 N ATOM 388 CA ASN A 25 1.480 2.081 -8.674 1.00 10.96 C ATOM 389 C ASN A 25 1.123 0.876 -7.762 1.00 9.68 C ATOM 390 O ASN A 25 0.406 -0.019 -8.179 1.00 9.33 O ATOM 391 CB ASN A 25 3.028 2.043 -9.072 1.00 16.78 C ATOM 392 CG ASN A 25 3.311 1.120 -10.180 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.993 0.070 -9.977 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.942 1.429 -11.401 1.00 24.70 N ATOM 0 H ASN A 25 2.090 3.795 -7.740 1.00 9.43 H new ATOM 0 HA ASN A 25 0.865 2.018 -9.571 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.351 3.046 -9.350 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.615 1.749 -8.202 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.204 0.826 -12.181 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.393 2.272 -11.570 1.00 24.70 H new ATOM 401 N VAL A 26 1.560 0.871 -6.522 1.00 6.52 N ATOM 402 CA VAL A 26 1.301 -0.242 -5.599 1.00 5.53 C ATOM 403 C VAL A 26 -0.185 -0.571 -5.303 1.00 4.42 C ATOM 404 O VAL A 26 -0.642 -1.729 -5.050 1.00 3.40 O ATOM 405 CB VAL A 26 2.145 -0.052 -4.320 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.795 -1.165 -3.322 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.614 -0.250 -4.725 1.00 8.12 C ATOM 0 H VAL A 26 2.105 1.631 -6.114 1.00 6.52 H new ATOM 0 HA VAL A 26 1.618 -1.142 -6.125 1.00 5.53 H new ATOM 0 HB VAL A 26 1.963 0.927 -3.877 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.386 -1.039 -2.415 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.735 -1.112 -3.074 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.015 -2.135 -3.767 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.253 -0.125 -3.851 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.747 -1.253 -5.131 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.886 0.487 -5.481 1.00 8.12 H new ATOM 417 N LYS A 27 -0.990 0.527 -5.269 1.00 2.64 N ATOM 418 CA LYS A 27 -2.416 0.458 -5.129 1.00 4.14 C ATOM 419 C LYS A 27 -3.065 -0.307 -6.335 1.00 5.58 C ATOM 420 O LYS A 27 -3.930 -1.147 -6.130 1.00 4.11 O ATOM 421 CB LYS A 27 -3.032 1.828 -4.867 1.00 3.97 C ATOM 422 CG LYS A 27 -2.700 2.407 -3.476 1.00 7.45 C ATOM 423 CD LYS A 27 -3.461 3.683 -3.153 1.00 9.02 C ATOM 424 CE LYS A 27 -3.099 4.873 -3.997 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.027 5.987 -3.671 1.00 15.47 N ATOM 0 H LYS A 27 -0.633 1.480 -5.341 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.642 -0.130 -4.239 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.685 2.524 -5.631 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.115 1.754 -4.970 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.924 1.658 -2.717 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.630 2.608 -3.421 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.528 3.489 -3.264 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.290 3.934 -2.106 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.068 5.172 -3.807 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.168 4.621 -5.055 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.832 6.795 -4.296 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.009 5.672 -3.808 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.891 6.274 -2.681 1.00 15.47 H new ATOM 439 N ALA A 28 -2.586 -0.148 -7.593 1.00 6.61 N ATOM 440 CA ALA A 28 -3.013 -0.964 -8.749 1.00 7.74 C ATOM 441 C ALA A 28 -2.773 -2.465 -8.656 1.00 9.17 C ATOM 442 O ALA A 28 -3.567 -3.410 -8.935 1.00 11.45 O ATOM 443 CB ALA A 28 -2.359 -0.525 -10.078 1.00 7.68 C ATOM 0 H ALA A 28 -1.888 0.556 -7.832 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.087 -0.780 -8.728 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.714 -1.164 -10.887 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.625 0.511 -10.290 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.276 -0.612 -9.996 1.00 7.68 H new ATOM 449 N LYS A 29 -1.626 -2.775 -8.122 1.00 8.96 N ATOM 450 CA LYS A 29 -1.135 -4.107 -7.873 1.00 7.90 C ATOM 451 C LYS A 29 -1.964 -4.842 -6.822 1.00 6.92 C ATOM 452 O LYS A 29 -2.336 -5.996 -6.942 1.00 6.87 O ATOM 453 CB LYS A 29 0.239 -3.941 -7.299 1.00 10.28 C ATOM 454 CG LYS A 29 1.205 -3.377 -8.272 1.00 14.94 C ATOM 455 CD LYS A 29 2.669 -3.672 -7.894 1.00 19.69 C ATOM 456 CE LYS A 29 3.749 -2.870 -8.628 1.00 22.63 C ATOM 457 NZ LYS A 29 3.612 -3.077 -10.043 1.00 24.98 N ATOM 0 H LYS A 29 -0.962 -2.058 -7.828 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.170 -4.679 -8.801 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.187 -3.289 -6.427 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.602 -4.909 -6.953 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.000 -3.787 -9.261 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.061 -2.299 -8.337 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.785 -3.498 -6.824 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.857 -4.732 -8.067 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.654 -1.810 -8.393 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.739 -3.183 -8.297 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.402 -2.618 -10.539 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.620 -4.097 -10.247 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.714 -2.666 -10.369 1.00 24.98 H new ATOM 471 N ILE A 30 -2.399 -4.168 -5.769 1.00 4.57 N ATOM 472 CA ILE A 30 -3.431 -4.659 -4.873 1.00 5.58 C ATOM 473 C ILE A 30 -4.779 -4.838 -5.565 1.00 7.26 C ATOM 474 O ILE A 30 -5.418 -5.856 -5.299 1.00 9.46 O ATOM 475 CB ILE A 30 -3.533 -3.966 -3.506 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.150 -3.887 -2.805 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.489 -4.722 -2.619 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.083 -3.567 -1.291 1.00 2.00 C ATOM 0 H ILE A 30 -2.038 -3.250 -5.510 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.077 -5.654 -4.606 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.896 -2.952 -3.675 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.650 -4.843 -2.960 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.562 -3.131 -3.326 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.557 -4.226 -1.651 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.474 -4.747 -3.084 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.128 -5.741 -2.480 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.042 -3.551 -0.968 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.535 -2.593 -1.105 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.624 -4.331 -0.733 1.00 2.00 H new ATOM 490 N GLN A 31 -5.228 -3.865 -6.389 1.00 7.06 N ATOM 491 CA GLN A 31 -6.550 -3.914 -7.105 1.00 8.67 C ATOM 492 C GLN A 31 -6.696 -5.162 -7.932 1.00 10.90 C ATOM 493 O GLN A 31 -7.717 -5.796 -7.922 1.00 9.63 O ATOM 494 CB GLN A 31 -6.752 -2.676 -7.964 1.00 9.12 C ATOM 495 CG GLN A 31 -8.057 -2.635 -8.795 1.00 10.76 C ATOM 496 CD GLN A 31 -8.273 -1.353 -9.606 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.146 -0.534 -9.370 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.346 -1.220 -10.556 1.00 14.76 N ATOM 0 H GLN A 31 -4.694 -3.018 -6.585 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.327 -3.935 -6.340 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.729 -1.800 -7.316 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.907 -2.589 -8.647 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.060 -3.484 -9.479 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.903 -2.766 -8.120 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.647 -1.950 -10.693 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.336 -0.388 -11.146 1.00 14.76 H new ATOM 507 N ASP A 32 -5.595 -5.513 -8.624 1.00 10.93 N ATOM 508 CA ASP A 32 -5.433 -6.715 -9.396 1.00 14.01 C ATOM 509 C ASP A 32 -5.687 -8.008 -8.589 1.00 14.04 C ATOM 510 O ASP A 32 -6.436 -8.897 -9.039 1.00 13.39 O ATOM 511 CB ASP A 32 -4.023 -6.658 -9.961 1.00 18.01 C ATOM 512 CG ASP A 32 -3.863 -7.598 -11.072 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.563 -8.795 -10.914 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.101 -7.106 -12.272 1.00 26.29 O ATOM 0 H ASP A 32 -4.764 -4.922 -8.647 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.182 -6.757 -10.187 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.805 -5.646 -10.302 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.304 -6.892 -9.176 1.00 18.01 H new ATOM 519 N LYS A 33 -5.121 -8.086 -7.384 1.00 14.22 N ATOM 520 CA LYS A 33 -5.254 -9.252 -6.521 1.00 14.00 C ATOM 521 C LYS A 33 -6.548 -9.312 -5.809 1.00 12.37 C ATOM 522 O LYS A 33 -7.307 -10.265 -5.920 1.00 12.17 O ATOM 523 CB LYS A 33 -4.128 -9.185 -5.431 1.00 18.62 C ATOM 524 CG LYS A 33 -2.764 -9.598 -6.085 1.00 24.00 C ATOM 525 CD LYS A 33 -1.724 -9.784 -5.013 1.00 27.61 C ATOM 526 CE LYS A 33 -0.368 -10.393 -5.386 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.395 -11.775 -5.956 1.00 30.06 N ATOM 0 H LYS A 33 -4.556 -7.338 -6.981 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.181 -10.131 -7.161 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.060 -8.177 -5.021 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.366 -9.851 -4.602 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.886 -10.521 -6.651 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.441 -8.832 -6.790 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.534 -8.808 -4.567 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.162 -10.410 -4.235 1.00 27.61 H new ATOM 0 HE2 LYS A 33 0.115 -9.735 -6.108 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.259 -10.403 -4.494 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.576 -12.082 -6.169 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.820 -12.427 -5.266 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.959 -11.779 -6.830 1.00 30.06 H new ATOM 541 N GLU A 34 -6.857 -8.260 -5.062 1.00 10.11 N ATOM 542 CA GLU A 34 -7.899 -8.275 -4.039 1.00 10.07 C ATOM 543 C GLU A 34 -9.112 -7.453 -4.398 1.00 9.32 C ATOM 544 O GLU A 34 -10.049 -7.458 -3.619 1.00 11.61 O ATOM 545 CB GLU A 34 -7.201 -7.701 -2.772 1.00 14.77 C ATOM 546 CG GLU A 34 -6.281 -8.757 -2.111 1.00 18.75 C ATOM 547 CD GLU A 34 -6.996 -10.021 -1.670 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.123 -9.882 -1.103 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.449 -11.151 -1.743 1.00 21.95 O ATOM 0 H GLU A 34 -6.386 -7.360 -5.149 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.290 -9.283 -3.903 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.615 -6.823 -3.043 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -7.954 -7.372 -2.056 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.493 -9.026 -2.814 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -5.795 -8.307 -1.245 1.00 18.75 H new ATOM 556 N GLY A 35 -9.084 -6.808 -5.569 1.00 7.22 N ATOM 557 CA GLY A 35 -10.235 -6.050 -6.011 1.00 6.29 C ATOM 558 C GLY A 35 -10.520 -4.746 -5.280 1.00 6.93 C ATOM 559 O GLY A 35 -11.682 -4.309 -5.172 1.00 7.41 O ATOM 0 H GLY A 35 -8.290 -6.801 -6.209 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.107 -5.825 -7.070 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.115 -6.687 -5.924 1.00 6.29 H new ATOM 563 N ILE A 36 -9.495 -4.080 -4.713 1.00 5.86 N ATOM 564 CA ILE A 36 -9.826 -2.930 -3.962 1.00 6.07 C ATOM 565 C ILE A 36 -9.403 -1.656 -4.724 1.00 6.36 C ATOM 566 O ILE A 36 -8.270 -1.640 -5.170 1.00 6.18 O ATOM 567 CB ILE A 36 -9.163 -2.882 -2.529 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.240 -4.295 -1.862 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.954 -1.865 -1.606 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.755 -4.270 -0.450 1.00 9.49 C ATOM 0 H ILE A 36 -8.506 -4.323 -4.772 1.00 5.86 H new ATOM 0 HA ILE A 36 -10.906 -2.979 -3.825 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.125 -2.569 -2.638 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.269 -4.653 -1.886 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.643 -5.002 -2.439 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.493 -1.835 -0.619 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.923 -0.870 -2.051 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.991 -2.189 -1.513 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.825 -5.271 -0.023 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.717 -3.938 -0.428 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.368 -3.583 0.133 1.00 9.49 H new ATOM 582 N PRO A 37 -10.313 -0.663 -4.935 1.00 8.65 N ATOM 583 CA PRO A 37 -10.084 0.585 -5.657 1.00 9.18 C ATOM 584 C PRO A 37 -8.859 1.389 -5.096 1.00 9.85 C ATOM 585 O PRO A 37 -8.996 1.724 -3.884 1.00 8.51 O ATOM 586 CB PRO A 37 -11.350 1.386 -5.410 1.00 11.42 C ATOM 587 CG PRO A 37 -12.450 0.371 -5.393 1.00 9.27 C ATOM 588 CD PRO A 37 -11.753 -0.832 -4.781 1.00 8.33 C ATOM 0 HA PRO A 37 -9.867 0.393 -6.708 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.297 1.927 -4.465 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.508 2.127 -6.194 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.300 0.699 -4.795 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.827 0.160 -6.394 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.013 -0.924 -3.726 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.081 -1.749 -5.271 1.00 8.33 H new ATOM 596 N PRO A 38 -7.858 1.742 -5.765 1.00 8.71 N ATOM 597 CA PRO A 38 -6.909 2.764 -5.402 1.00 9.08 C ATOM 598 C PRO A 38 -7.375 4.048 -4.821 1.00 9.28 C ATOM 599 O PRO A 38 -6.624 4.770 -4.195 1.00 6.50 O ATOM 600 CB PRO A 38 -6.057 3.041 -6.675 1.00 10.31 C ATOM 601 CG PRO A 38 -6.131 1.711 -7.380 1.00 10.81 C ATOM 602 CD PRO A 38 -7.528 1.126 -7.084 1.00 12.00 C ATOM 0 HA PRO A 38 -6.375 2.344 -4.550 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.471 3.849 -7.278 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.032 3.319 -6.430 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.983 1.834 -8.453 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.348 1.041 -7.024 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.253 1.396 -7.852 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.510 0.037 -7.031 1.00 12.00 H new ATOM 610 N ASP A 39 -8.665 4.471 -4.991 1.00 11.20 N ATOM 611 CA ASP A 39 -9.320 5.641 -4.454 1.00 14.96 C ATOM 612 C ASP A 39 -10.212 5.340 -3.236 1.00 13.99 C ATOM 613 O ASP A 39 -10.934 6.245 -2.720 1.00 13.75 O ATOM 614 CB ASP A 39 -10.265 6.339 -5.525 1.00 24.16 C ATOM 615 CG ASP A 39 -9.322 6.730 -6.642 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.511 7.697 -6.513 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.254 6.044 -7.692 1.00 35.55 O ATOM 0 H ASP A 39 -9.308 3.928 -5.567 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.494 6.290 -4.163 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.041 5.659 -5.877 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.770 7.209 -5.105 1.00 24.16 H new ATOM 622 N GLN A 40 -10.216 4.057 -2.836 1.00 11.60 N ATOM 623 CA GLN A 40 -10.689 3.593 -1.521 1.00 10.76 C ATOM 624 C GLN A 40 -9.472 3.397 -0.661 1.00 8.01 C ATOM 625 O GLN A 40 -9.392 3.626 0.535 1.00 8.96 O ATOM 626 CB GLN A 40 -11.564 2.329 -1.573 1.00 11.14 C ATOM 627 CG GLN A 40 -12.145 1.789 -0.236 1.00 14.85 C ATOM 628 CD GLN A 40 -13.058 0.546 -0.419 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.966 -0.172 -1.412 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.780 0.218 0.670 1.00 18.16 N ATOM 0 H GLN A 40 -9.883 3.298 -3.431 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.354 4.347 -1.101 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.400 2.528 -2.244 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.974 1.533 -2.027 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.323 1.532 0.432 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.715 2.581 0.250 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.820 0.854 1.466 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.287 -0.667 0.698 1.00 18.16 H new ATOM 639 N GLN A 41 -8.464 2.675 -1.233 1.00 6.52 N ATOM 640 CA GLN A 41 -7.287 2.330 -0.449 1.00 3.87 C ATOM 641 C GLN A 41 -6.484 3.566 0.033 1.00 4.79 C ATOM 642 O GLN A 41 -6.133 4.452 -0.779 1.00 6.34 O ATOM 643 CB GLN A 41 -6.246 1.573 -1.304 1.00 4.20 C ATOM 644 CG GLN A 41 -6.659 0.123 -1.688 1.00 3.20 C ATOM 645 CD GLN A 41 -5.613 -0.461 -2.658 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.534 -0.739 -2.127 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.902 -0.713 -3.950 1.00 7.13 N ATOM 0 H GLN A 41 -8.459 2.342 -2.197 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.694 1.752 0.381 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.064 2.139 -2.217 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.303 1.536 -0.758 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.730 -0.497 -0.794 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.644 0.124 -2.154 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.814 -0.458 -4.328 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.208 -1.159 -4.550 1.00 7.13 H new ATOM 656 N ARG A 42 -6.052 3.631 1.367 1.00 5.73 N ATOM 657 CA ARG A 42 -5.053 4.487 1.910 1.00 6.97 C ATOM 658 C ARG A 42 -4.145 3.515 2.594 1.00 7.15 C ATOM 659 O ARG A 42 -4.517 2.801 3.518 1.00 7.33 O ATOM 660 CB ARG A 42 -5.619 5.546 2.930 1.00 13.23 C ATOM 661 CG ARG A 42 -6.370 6.784 2.327 1.00 21.27 C ATOM 662 CD ARG A 42 -7.313 7.435 3.372 1.00 26.14 C ATOM 663 NE ARG A 42 -7.587 8.918 2.992 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.276 9.792 3.758 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.996 9.487 4.863 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.313 11.071 3.410 1.00 36.39 N ATOM 0 H ARG A 42 -6.457 3.025 2.080 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.573 5.099 1.146 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.301 5.033 3.608 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.788 5.914 3.532 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.644 7.520 1.981 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.948 6.473 1.457 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.252 6.884 3.419 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.862 7.382 4.363 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.221 9.255 2.102 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.052 8.521 5.185 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.483 10.224 5.374 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.825 11.386 2.572 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.830 11.740 3.981 1.00 36.39 H new ATOM 680 N LEU A 43 -2.912 3.364 2.190 1.00 4.65 N ATOM 681 CA LEU A 43 -1.816 2.712 2.847 1.00 3.51 C ATOM 682 C LEU A 43 -1.442 3.461 4.133 1.00 5.56 C ATOM 683 O LEU A 43 -1.439 4.673 4.319 1.00 4.19 O ATOM 684 CB LEU A 43 -0.527 2.457 1.990 1.00 3.74 C ATOM 685 CG LEU A 43 -0.524 1.252 1.000 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.797 1.332 0.185 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.830 -0.144 1.630 1.00 6.41 C ATOM 0 H LEU A 43 -2.621 3.740 1.287 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.201 1.715 3.059 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.326 3.361 1.414 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.309 2.325 2.677 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.377 1.343 0.328 1.00 6.32 H new ATOM 0 HD11 LEU A 43 0.839 0.504 -0.522 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.832 2.276 -0.359 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.648 1.273 0.864 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.802 -0.908 0.853 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.083 -0.372 2.390 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.819 -0.128 2.087 1.00 6.41 H new ATOM 699 N ILE A 44 -0.993 2.661 5.091 1.00 4.58 N ATOM 700 CA ILE A 44 -0.381 3.038 6.340 1.00 5.55 C ATOM 701 C ILE A 44 0.871 2.308 6.492 1.00 5.46 C ATOM 702 O ILE A 44 0.995 1.168 6.094 1.00 6.04 O ATOM 703 CB ILE A 44 -1.272 2.891 7.639 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.504 3.767 7.594 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.505 3.089 8.894 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.527 3.675 8.746 1.00 13.90 C ATOM 0 H ILE A 44 -1.057 1.647 4.997 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.219 4.113 6.266 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.613 1.856 7.646 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.170 4.803 7.532 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.032 3.546 6.666 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.171 2.976 9.749 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.292 2.348 8.954 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.072 4.089 8.902 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.348 4.367 8.559 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.916 2.658 8.807 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.040 3.935 9.686 1.00 13.90 H new ATOM 718 N PHE A 45 1.948 2.955 6.920 1.00 6.75 N ATOM 719 CA PHE A 45 3.111 2.174 7.360 1.00 4.70 C ATOM 720 C PHE A 45 3.820 3.078 8.427 1.00 6.34 C ATOM 721 O PHE A 45 3.901 4.287 8.264 1.00 5.45 O ATOM 722 CB PHE A 45 4.024 1.943 6.103 1.00 5.51 C ATOM 723 CG PHE A 45 5.319 1.326 6.517 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.429 0.123 7.312 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.528 1.873 6.156 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.645 -0.323 7.894 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.761 1.445 6.617 1.00 6.64 C ATOM 728 CZ PHE A 45 7.794 0.352 7.502 1.00 6.84 C ATOM 0 H PHE A 45 2.047 3.969 6.974 1.00 6.75 H new ATOM 0 HA PHE A 45 2.866 1.200 7.785 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.516 1.296 5.388 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.209 2.891 5.599 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.539 -0.468 7.472 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.514 2.699 5.460 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.675 -1.139 8.600 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.671 1.936 6.306 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.747 0.026 7.891 1.00 6.84 H new ATOM 738 N ALA A 46 4.210 2.464 9.532 1.00 6.53 N ATOM 739 CA ALA A 46 4.816 3.064 10.733 1.00 7.15 C ATOM 740 C ALA A 46 4.010 4.141 11.409 1.00 9.00 C ATOM 741 O ALA A 46 4.514 5.097 12.027 1.00 11.15 O ATOM 742 CB ALA A 46 6.316 3.607 10.493 1.00 8.99 C ATOM 0 H ALA A 46 4.108 1.454 9.631 1.00 6.53 H new ATOM 0 HA ALA A 46 4.838 2.213 11.413 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.700 4.036 11.419 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.956 2.782 10.182 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.306 4.371 9.716 1.00 8.99 H new ATOM 748 N GLY A 47 2.680 3.883 11.404 1.00 9.35 N ATOM 749 CA GLY A 47 1.692 4.736 11.983 1.00 11.68 C ATOM 750 C GLY A 47 1.284 5.838 11.055 1.00 11.14 C ATOM 751 O GLY A 47 0.361 6.615 11.377 1.00 13.93 O ATOM 0 H GLY A 47 2.285 3.045 10.978 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.816 4.145 12.251 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.081 5.166 12.906 1.00 11.68 H new ATOM 755 N LYS A 48 1.901 5.979 9.873 1.00 10.47 N ATOM 756 CA LYS A 48 1.637 7.158 9.036 1.00 8.82 C ATOM 757 C LYS A 48 0.959 6.780 7.721 1.00 7.68 C ATOM 758 O LYS A 48 1.211 5.730 7.115 1.00 6.47 O ATOM 759 CB LYS A 48 2.930 7.895 8.683 1.00 9.74 C ATOM 760 CG LYS A 48 3.696 8.470 9.886 1.00 14.14 C ATOM 761 CD LYS A 48 4.808 9.468 9.407 1.00 16.32 C ATOM 762 CE LYS A 48 5.578 10.222 10.469 1.00 20.04 C ATOM 763 NZ LYS A 48 6.451 11.203 9.893 1.00 23.92 N ATOM 0 H LYS A 48 2.568 5.313 9.483 1.00 10.47 H new ATOM 0 HA LYS A 48 0.981 7.799 9.626 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.587 7.210 8.146 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.692 8.710 7.999 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.003 8.982 10.554 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.149 7.659 10.457 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.525 8.909 8.806 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.341 10.200 8.748 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.879 10.710 11.148 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.162 9.519 11.064 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.962 11.700 10.650 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.134 10.734 9.264 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.891 11.888 9.346 1.00 23.92 H new ATOM 777 N GLN A 49 -0.015 7.606 7.222 1.00 8.89 N ATOM 778 CA GLN A 49 -0.593 7.457 5.935 1.00 7.18 C ATOM 779 C GLN A 49 0.347 7.677 4.776 1.00 8.23 C ATOM 780 O GLN A 49 1.173 8.606 4.891 1.00 9.70 O ATOM 781 CB GLN A 49 -1.912 8.272 5.752 1.00 11.67 C ATOM 782 CG GLN A 49 -3.098 7.729 6.605 1.00 15.82 C ATOM 783 CD GLN A 49 -4.459 8.262 6.146 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.625 8.977 5.178 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.516 7.846 6.962 1.00 20.67 N ATOM 0 H GLN A 49 -0.395 8.393 7.748 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.848 6.398 5.905 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.728 9.312 6.020 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.195 8.259 4.700 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.105 6.640 6.556 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.941 8.000 7.649 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -5.334 7.245 7.766 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.469 8.143 6.753 1.00 20.67 H new ATOM 794 N LEU A 50 0.374 6.860 3.718 1.00 6.51 N ATOM 795 CA LEU A 50 1.297 6.966 2.613 1.00 7.41 C ATOM 796 C LEU A 50 0.648 7.640 1.371 1.00 8.27 C ATOM 797 O LEU A 50 -0.459 7.286 0.899 1.00 8.34 O ATOM 798 CB LEU A 50 1.812 5.622 2.104 1.00 7.13 C ATOM 799 CG LEU A 50 2.620 4.696 3.148 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.349 3.517 2.482 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.593 5.462 4.042 1.00 9.11 C ATOM 0 H LEU A 50 -0.277 6.081 3.616 1.00 6.51 H new ATOM 0 HA LEU A 50 2.113 7.556 3.029 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.959 5.051 1.737 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.461 5.811 1.249 1.00 7.13 H new ATOM 0 HG LEU A 50 1.832 4.297 3.787 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.872 2.936 3.242 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.624 2.881 1.974 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.069 3.897 1.757 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.095 4.766 4.714 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.334 5.968 3.423 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.045 6.200 4.628 1.00 9.11 H new ATOM 813 N GLU A 51 1.330 8.700 0.842 1.00 9.43 N ATOM 814 CA GLU A 51 0.923 9.501 -0.300 1.00 11.90 C ATOM 815 C GLU A 51 1.336 8.958 -1.665 1.00 11.49 C ATOM 816 O GLU A 51 2.418 8.409 -1.853 1.00 9.88 O ATOM 817 CB GLU A 51 1.453 10.966 -0.070 1.00 16.56 C ATOM 818 CG GLU A 51 0.780 11.649 1.185 1.00 26.06 C ATOM 819 CD GLU A 51 -0.718 11.797 0.926 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.033 12.667 0.023 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.549 11.095 1.545 1.00 32.13 O ATOM 0 H GLU A 51 2.217 9.014 1.236 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.166 9.473 -0.346 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.534 10.943 0.066 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.256 11.566 -0.958 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.950 11.047 2.078 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.229 12.625 1.368 1.00 26.06 H new ATOM 828 N ASP A 52 0.272 8.837 -2.573 1.00 12.71 N ATOM 829 CA ASP A 52 0.223 8.433 -3.996 1.00 16.56 C ATOM 830 C ASP A 52 1.529 8.635 -4.864 1.00 15.83 C ATOM 831 O ASP A 52 2.115 7.694 -5.455 1.00 17.21 O ATOM 832 CB ASP A 52 -0.917 9.264 -4.672 1.00 21.05 C ATOM 833 CG ASP A 52 -2.157 9.112 -3.875 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.322 9.556 -2.734 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.126 8.423 -4.426 1.00 25.82 O ATOM 0 H ASP A 52 -0.671 9.055 -2.250 1.00 12.71 H new ATOM 0 HA ASP A 52 0.072 7.354 -3.973 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.633 10.315 -4.732 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.080 8.919 -5.693 1.00 21.05 H new ATOM 840 N GLY A 53 2.089 9.875 -4.765 1.00 15.00 N ATOM 841 CA GLY A 53 3.164 10.345 -5.621 1.00 11.77 C ATOM 842 C GLY A 53 4.510 10.000 -5.173 1.00 11.10 C ATOM 843 O GLY A 53 5.523 10.334 -5.839 1.00 11.25 O ATOM 0 H GLY A 53 1.789 10.565 -4.076 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.015 9.938 -6.621 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.093 11.429 -5.705 1.00 11.77 H new ATOM 847 N ARG A 54 4.550 9.297 -4.064 1.00 8.53 N ATOM 848 CA ARG A 54 5.766 9.032 -3.353 1.00 9.05 C ATOM 849 C ARG A 54 6.161 7.586 -3.689 1.00 8.96 C ATOM 850 O ARG A 54 5.299 6.816 -4.105 1.00 11.60 O ATOM 851 CB ARG A 54 5.572 9.031 -1.858 1.00 7.97 C ATOM 852 CG ARG A 54 5.332 10.429 -1.245 1.00 9.62 C ATOM 853 CD ARG A 54 6.474 11.445 -1.293 1.00 12.20 C ATOM 854 NE ARG A 54 6.070 12.751 -0.660 1.00 18.23 N ATOM 855 CZ ARG A 54 6.769 13.908 -0.673 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.949 14.063 -1.297 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.156 14.956 -0.081 1.00 23.38 N ATOM 0 H ARG A 54 3.722 8.890 -3.629 1.00 8.53 H new ATOM 0 HA ARG A 54 6.492 9.796 -3.632 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.725 8.390 -1.614 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.451 8.588 -1.390 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.472 10.870 -1.749 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.053 10.291 -0.200 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.345 11.042 -0.776 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.769 11.616 -2.328 1.00 12.20 H new ATOM 0 HE ARG A 54 5.175 12.764 -0.170 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.367 13.280 -1.799 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.426 14.964 -1.269 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.232 14.838 0.334 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.618 15.865 -0.049 1.00 23.38 H new ATOM 871 N THR A 55 7.420 7.219 -3.502 1.00 9.05 N ATOM 872 CA THR A 55 7.842 5.862 -3.674 1.00 9.03 C ATOM 873 C THR A 55 7.919 5.161 -2.328 1.00 8.15 C ATOM 874 O THR A 55 7.997 5.747 -1.258 1.00 5.91 O ATOM 875 CB THR A 55 9.053 5.660 -4.564 1.00 11.15 C ATOM 876 OG1 THR A 55 10.245 6.070 -3.932 1.00 11.95 O ATOM 877 CG2 THR A 55 8.942 6.377 -5.877 1.00 11.71 C ATOM 0 H THR A 55 8.165 7.860 -3.228 1.00 9.05 H new ATOM 0 HA THR A 55 7.067 5.368 -4.260 1.00 9.03 H new ATOM 0 HB THR A 55 9.085 4.587 -4.754 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.330 7.044 -3.995 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.839 6.194 -6.469 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.069 6.012 -6.418 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.837 7.447 -5.699 1.00 11.71 H new ATOM 885 N LEU A 56 7.961 3.791 -2.367 1.00 6.91 N ATOM 886 CA LEU A 56 8.318 2.902 -1.230 1.00 8.29 C ATOM 887 C LEU A 56 9.775 3.220 -0.728 1.00 8.05 C ATOM 888 O LEU A 56 10.072 3.085 0.453 1.00 10.17 O ATOM 889 CB LEU A 56 8.300 1.437 -1.752 1.00 6.60 C ATOM 890 CG LEU A 56 6.922 0.746 -2.087 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.164 -0.569 -2.696 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.878 0.630 -0.919 1.00 8.64 C ATOM 0 H LEU A 56 7.740 3.270 -3.215 1.00 6.91 H new ATOM 0 HA LEU A 56 7.613 3.050 -0.412 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.909 1.405 -2.656 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.802 0.819 -1.007 1.00 6.60 H new ATOM 0 HG LEU A 56 6.440 1.431 -2.785 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.211 -1.044 -2.926 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.739 -0.445 -3.614 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.723 -1.195 -2.000 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.977 0.137 -1.284 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.307 0.046 -0.104 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.625 1.626 -0.557 1.00 8.64 H new ATOM 904 N SER A 57 10.667 3.625 -1.641 1.00 8.92 N ATOM 905 CA SER A 57 12.049 4.068 -1.378 1.00 9.00 C ATOM 906 C SER A 57 12.198 5.281 -0.560 1.00 9.44 C ATOM 907 O SER A 57 12.969 5.338 0.410 1.00 10.91 O ATOM 908 CB SER A 57 12.883 4.115 -2.654 1.00 10.32 C ATOM 909 OG SER A 57 14.282 4.043 -2.354 1.00 13.59 O ATOM 0 H SER A 57 10.436 3.655 -2.634 1.00 8.92 H new ATOM 0 HA SER A 57 12.455 3.288 -0.734 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.604 3.287 -3.306 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.671 5.035 -3.198 1.00 10.32 H new ATOM 0 HG SER A 57 14.797 4.073 -3.187 1.00 13.59 H new ATOM 915 N ASP A 58 11.385 6.309 -0.851 1.00 9.11 N ATOM 916 CA ASP A 58 11.305 7.534 -0.104 1.00 7.91 C ATOM 917 C ASP A 58 10.884 7.200 1.371 1.00 9.12 C ATOM 918 O ASP A 58 11.312 7.871 2.323 1.00 8.61 O ATOM 919 CB ASP A 58 10.405 8.570 -0.760 1.00 8.41 C ATOM 920 CG ASP A 58 10.993 8.772 -2.170 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.199 9.126 -2.303 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.289 8.465 -3.104 1.00 11.70 O ATOM 0 H ASP A 58 10.748 6.290 -1.648 1.00 9.11 H new ATOM 0 HA ASP A 58 12.288 8.004 -0.090 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.373 8.222 -0.809 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.401 9.503 -0.196 1.00 8.41 H new ATOM 927 N TYR A 59 9.970 6.263 1.556 1.00 7.97 N ATOM 928 CA TYR A 59 9.465 5.924 2.887 1.00 8.45 C ATOM 929 C TYR A 59 10.343 4.891 3.588 1.00 10.98 C ATOM 930 O TYR A 59 10.070 4.590 4.766 1.00 12.95 O ATOM 931 CB TYR A 59 8.018 5.401 2.756 1.00 7.94 C ATOM 932 CG TYR A 59 7.052 6.496 2.656 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.885 7.451 3.649 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.237 6.545 1.498 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.805 8.407 3.598 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.105 7.434 1.470 1.00 6.52 C ATOM 937 CZ TYR A 59 4.999 8.406 2.468 1.00 6.76 C ATOM 938 OH TYR A 59 3.999 9.402 2.279 1.00 7.63 O ATOM 0 H TYR A 59 9.557 5.717 0.800 1.00 7.97 H new ATOM 0 HA TYR A 59 9.484 6.824 3.501 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.940 4.765 1.874 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.776 4.780 3.619 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.578 7.479 4.477 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.463 5.922 0.645 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.630 9.098 4.409 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.356 7.352 0.696 1.00 6.52 H new ATOM 0 HH TYR A 59 4.415 10.224 1.944 1.00 7.63 H new ATOM 948 N ASN A 60 11.536 4.500 2.978 1.00 12.38 N ATOM 949 CA ASN A 60 12.499 3.552 3.523 1.00 13.94 C ATOM 950 C ASN A 60 11.952 2.212 3.890 1.00 14.16 C ATOM 951 O ASN A 60 12.135 1.670 4.991 1.00 14.26 O ATOM 952 CB ASN A 60 13.328 4.149 4.675 1.00 19.23 C ATOM 953 CG ASN A 60 14.043 5.334 4.144 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.763 6.442 4.697 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.990 5.166 3.262 1.00 24.09 N ATOM 0 H ASN A 60 11.823 4.869 2.071 1.00 12.38 H new ATOM 0 HA ASN A 60 13.163 3.360 2.680 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.681 4.432 5.506 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.036 3.414 5.058 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.565 5.958 2.974 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.156 4.243 2.861 1.00 24.09 H new ATOM 962 N ILE A 61 11.202 1.564 2.942 1.00 11.08 N ATOM 963 CA ILE A 61 10.527 0.348 3.138 1.00 11.78 C ATOM 964 C ILE A 61 11.398 -0.791 2.632 1.00 13.74 C ATOM 965 O ILE A 61 11.736 -0.924 1.454 1.00 14.60 O ATOM 966 CB ILE A 61 9.140 0.427 2.447 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.242 1.352 3.278 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.586 -0.987 2.362 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.107 1.803 2.359 1.00 11.42 C ATOM 0 H ILE A 61 11.081 1.935 2.000 1.00 11.08 H new ATOM 0 HA ILE A 61 10.343 0.155 4.195 1.00 11.78 H new ATOM 0 HB ILE A 61 9.200 0.836 1.438 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.849 0.829 4.150 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.805 2.209 3.647 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.609 -0.966 1.880 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.265 -1.609 1.779 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.487 -1.400 3.366 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.437 2.466 2.906 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.522 2.333 1.502 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.551 0.932 2.013 1.00 11.42 H new ATOM 981 N GLN A 62 11.879 -1.674 3.562 1.00 13.97 N ATOM 982 CA GLN A 62 12.827 -2.721 3.279 1.00 15.52 C ATOM 983 C GLN A 62 12.074 -3.970 2.692 1.00 13.94 C ATOM 984 O GLN A 62 10.887 -4.209 2.830 1.00 12.15 O ATOM 985 CB GLN A 62 13.610 -3.126 4.575 1.00 19.53 C ATOM 986 CG GLN A 62 14.986 -3.834 4.383 1.00 26.38 C ATOM 987 CD GLN A 62 15.607 -4.301 5.728 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.707 -5.549 5.972 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.136 -3.391 6.567 1.00 32.71 N ATOM 0 H GLN A 62 11.592 -1.649 4.540 1.00 13.97 H new ATOM 0 HA GLN A 62 13.546 -2.354 2.546 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.773 -2.225 5.167 1.00 19.53 H new ATOM 0 HB3 GLN A 62 12.971 -3.783 5.164 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.860 -4.695 3.726 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.676 -3.152 3.885 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.049 -2.396 6.361 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.624 -3.697 7.409 1.00 32.71 H new ATOM 998 N LYS A 63 12.771 -4.856 1.986 1.00 11.73 N ATOM 999 CA LYS A 63 12.301 -6.148 1.649 1.00 11.97 C ATOM 1000 C LYS A 63 11.839 -7.002 2.879 1.00 10.41 C ATOM 1001 O LYS A 63 12.371 -7.033 4.003 1.00 9.59 O ATOM 1002 CB LYS A 63 13.337 -6.937 0.821 1.00 13.73 C ATOM 1003 CG LYS A 63 14.642 -7.366 1.550 1.00 16.98 C ATOM 1004 CD LYS A 63 14.574 -8.886 1.999 1.00 20.19 C ATOM 1005 CE LYS A 63 15.862 -9.440 2.608 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.640 -10.797 3.148 1.00 25.97 N ATOM 0 H LYS A 63 13.708 -4.664 1.632 1.00 11.73 H new ATOM 0 HA LYS A 63 11.415 -5.968 1.041 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.852 -7.835 0.438 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.614 -6.331 -0.042 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.496 -7.217 0.890 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.799 -6.733 2.423 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.769 -8.999 2.725 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.309 -9.493 1.133 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.646 -9.468 1.851 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.209 -8.779 3.402 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.526 -11.157 3.557 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.907 -10.762 3.885 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.331 -11.429 2.382 1.00 25.97 H new ATOM 1020 N GLU A 64 10.658 -7.628 2.684 1.00 10.04 N ATOM 1021 CA GLU A 64 9.946 -8.405 3.598 1.00 10.94 C ATOM 1022 C GLU A 64 9.198 -7.546 4.670 1.00 9.74 C ATOM 1023 O GLU A 64 8.648 -8.118 5.639 1.00 9.42 O ATOM 1024 CB GLU A 64 10.791 -9.597 4.265 1.00 18.31 C ATOM 1025 CG GLU A 64 11.346 -10.614 3.248 1.00 24.16 C ATOM 1026 CD GLU A 64 12.274 -11.579 3.930 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.280 -11.133 4.430 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.026 -12.816 3.983 1.00 32.61 O ATOM 0 H GLU A 64 10.175 -7.567 1.787 1.00 10.04 H new ATOM 0 HA GLU A 64 9.187 -8.900 2.992 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.621 -9.170 4.827 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.158 -10.122 4.980 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.524 -11.157 2.781 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.875 -10.091 2.452 1.00 24.16 H new ATOM 1035 N SER A 65 9.173 -6.245 4.490 1.00 6.85 N ATOM 1036 CA SER A 65 8.408 -5.351 5.316 1.00 6.90 C ATOM 1037 C SER A 65 6.901 -5.457 5.158 1.00 4.72 C ATOM 1038 O SER A 65 6.380 -5.784 4.078 1.00 3.91 O ATOM 1039 CB SER A 65 8.787 -3.873 5.130 1.00 7.28 C ATOM 1040 OG SER A 65 8.397 -3.045 6.241 1.00 10.56 O ATOM 0 H SER A 65 9.695 -5.774 3.751 1.00 6.85 H new ATOM 0 HA SER A 65 8.675 -5.689 6.317 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.865 -3.796 4.988 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.318 -3.496 4.221 1.00 7.28 H new ATOM 0 HG SER A 65 8.664 -2.118 6.068 1.00 10.56 H new ATOM 1046 N THR A 66 6.199 -5.153 6.282 1.00 4.48 N ATOM 1047 CA THR A 66 4.759 -5.245 6.296 1.00 3.80 C ATOM 1048 C THR A 66 4.122 -3.841 6.384 1.00 4.60 C ATOM 1049 O THR A 66 4.377 -2.981 7.248 1.00 5.33 O ATOM 1050 CB THR A 66 4.243 -6.039 7.521 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.705 -7.355 7.349 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.722 -6.093 7.753 1.00 3.40 C ATOM 0 H THR A 66 6.619 -4.850 7.161 1.00 4.48 H new ATOM 0 HA THR A 66 4.481 -5.752 5.372 1.00 3.80 H new ATOM 0 HB THR A 66 4.618 -5.512 8.398 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.407 -7.907 8.102 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.511 -6.682 8.645 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.338 -5.082 7.887 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.239 -6.553 6.891 1.00 3.40 H new ATOM 1060 N LEU A 67 3.233 -3.561 5.486 1.00 4.17 N ATOM 1061 CA LEU A 67 2.468 -2.362 5.397 1.00 3.85 C ATOM 1062 C LEU A 67 1.098 -2.620 6.030 1.00 3.80 C ATOM 1063 O LEU A 67 0.701 -3.754 6.253 1.00 5.54 O ATOM 1064 CB LEU A 67 2.312 -1.936 3.897 1.00 7.18 C ATOM 1065 CG LEU A 67 3.603 -1.883 3.119 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.165 -1.483 1.714 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.689 -0.969 3.651 1.00 11.66 C ATOM 0 H LEU A 67 3.007 -4.217 4.738 1.00 4.17 H new ATOM 0 HA LEU A 67 2.970 -1.552 5.925 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.635 -2.634 3.404 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.841 -0.954 3.860 1.00 7.18 H new ATOM 0 HG LEU A 67 4.101 -2.851 3.183 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.039 -1.417 1.066 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.477 -2.231 1.320 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.666 -0.515 1.750 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.562 -1.024 3.001 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.321 0.057 3.678 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.966 -1.281 4.658 1.00 11.66 H new ATOM 1079 N HIS A 68 0.283 -1.575 6.397 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.071 -1.726 6.834 1.00 4.17 C ATOM 1081 C HIS A 68 -1.892 -1.088 5.778 1.00 5.32 C ATOM 1082 O HIS A 68 -1.468 -0.178 5.044 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.346 -1.181 8.291 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.647 -1.604 8.911 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.088 -2.863 9.074 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.601 -0.791 9.369 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.330 -2.764 9.615 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.662 -1.512 9.829 1.00 16.30 N ATOM 0 H HIS A 68 0.594 -0.604 6.382 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.332 -2.778 6.948 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.533 -1.506 8.940 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.315 -0.092 8.263 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.541 0.287 9.374 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -4.964 -3.609 9.841 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -5.523 -1.158 10.247 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.107 -1.553 5.622 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.976 -1.076 4.546 1.00 3.97 C ATOM 1098 C LEU A 69 -5.252 -0.703 5.178 1.00 5.07 C ATOM 1099 O LEU A 69 -5.832 -1.426 6.017 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.158 -2.120 3.407 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.237 -1.902 2.336 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.060 -0.509 1.673 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.327 -2.922 1.138 1.00 9.96 C ATOM 0 H LEU A 69 -3.528 -2.263 6.222 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.526 -0.218 4.047 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.202 -2.209 2.892 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.357 -3.083 3.877 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.147 -2.031 2.923 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.831 -0.366 0.916 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.148 0.269 2.432 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.077 -0.451 1.206 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.138 -2.629 0.471 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.386 -2.921 0.588 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.519 -3.922 1.526 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.815 0.528 4.881 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.074 0.929 5.404 1.00 6.26 C ATOM 1117 C VAL A 70 -7.906 1.572 4.300 1.00 9.22 C ATOM 1118 O VAL A 70 -7.404 1.922 3.229 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.994 1.981 6.532 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.260 1.388 7.753 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.285 3.209 6.012 1.00 8.54 C ATOM 0 H VAL A 70 -5.374 1.221 4.277 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.511 0.015 5.807 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.997 2.264 6.850 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.207 2.136 8.544 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.802 0.514 8.115 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.251 1.094 7.464 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.225 3.957 6.803 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.279 2.939 5.690 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.839 3.619 5.167 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.259 1.635 4.433 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.245 1.854 3.402 1.00 16.06 C ATOM 1133 C LEU A 71 -11.000 3.141 3.694 1.00 18.09 C ATOM 1134 O LEU A 71 -11.860 3.124 4.523 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.130 0.647 3.203 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.400 -0.692 2.969 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.508 -1.694 2.832 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.635 -0.557 1.705 1.00 19.57 C ATOM 0 H LEU A 71 -9.697 1.522 5.347 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.749 1.984 2.440 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.770 0.541 4.079 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.784 0.836 2.351 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.706 -0.982 3.758 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.084 -2.684 2.662 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.103 -1.706 3.745 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.143 -1.421 1.989 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.102 -1.486 1.501 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.321 -0.345 0.885 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.919 0.259 1.799 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.803 4.124 2.830 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.476 5.401 2.775 1.00 25.83 C ATOM 1152 C ARG A 72 -12.988 5.310 2.676 1.00 27.74 C ATOM 1153 O ARG A 72 -13.550 4.388 2.067 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.900 6.272 1.662 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.340 7.752 1.692 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.546 8.744 0.845 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.187 10.121 1.017 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.094 11.098 0.134 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -10.394 10.964 -0.992 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.691 12.222 0.368 1.00 35.02 N ATOM 0 H ARG A 72 -10.108 4.036 2.089 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.282 5.876 3.737 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.812 6.232 1.717 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.187 5.844 0.702 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.382 7.799 1.376 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.306 8.092 2.727 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.503 8.766 1.160 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.556 8.446 -0.203 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.721 10.296 1.868 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.911 10.088 -1.191 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.341 11.738 -1.655 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.226 12.346 1.227 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.626 12.984 -0.307 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.726 6.262 3.307 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.164 6.337 3.335 1.00 30.76 C ATOM 1176 C LEU A 73 -15.629 7.295 2.267 1.00 32.18 C ATOM 1177 O LEU A 73 -14.918 8.181 1.729 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.739 6.647 4.735 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.450 5.604 5.831 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.712 6.117 7.274 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.189 4.324 5.560 1.00 29.11 C ATOM 0 H LEU A 73 -13.288 7.022 3.827 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.565 5.349 3.110 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.344 7.608 5.063 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.819 6.760 4.645 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.379 5.408 5.784 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.486 5.325 7.988 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.076 6.979 7.475 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.758 6.407 7.373 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.969 3.603 6.347 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.261 4.521 5.537 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.874 3.919 4.599 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.892 7.120 1.768 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.549 8.064 0.933 1.00 35.33 C ATOM 1195 C ARG A 74 -17.701 9.474 1.574 1.00 36.22 C ATOM 1196 O ARG A 74 -17.425 10.449 0.937 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.925 7.497 0.501 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.948 6.109 -0.133 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.128 6.172 -1.411 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.426 4.967 -2.235 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.893 4.793 -3.474 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.053 5.714 -3.965 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -18.198 3.677 -4.100 1.00 41.93 N ATOM 0 H ARG A 74 -17.454 6.292 1.963 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.915 8.214 0.059 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.571 7.476 1.379 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.370 8.197 -0.206 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.533 5.369 0.551 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.972 5.804 -0.350 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.367 7.078 -1.968 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.065 6.214 -1.175 1.00 39.75 H new ATOM 0 HE ARG A 74 -19.048 4.252 -1.859 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.818 6.537 -3.410 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.648 5.592 -4.893 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -18.808 2.992 -3.653 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.825 3.497 -5.032 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.074 9.596 2.849 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.308 10.866 3.491 1.00 36.07 C ATOM 1219 C GLY A 75 -17.110 11.439 4.050 1.00 36.16 C ATOM 1220 O GLY A 75 -17.129 12.479 4.679 1.00 36.26 O ATOM 0 H GLY A 75 -18.221 8.796 3.464 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.734 11.561 2.767 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.047 10.737 4.282 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.941 10.790 3.881 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.651 11.291 4.344 1.00 36.19 C ATOM 1226 C GLY A 76 -13.512 11.235 3.302 1.00 36.20 C ATOM 1227 O GLY A 76 -12.500 10.509 3.471 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.540 11.910 2.271 1.00 0.00 O ATOM 0 H GLY A 76 -15.876 9.888 3.409 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.775 12.324 4.668 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.349 10.717 5.220 1.00 36.19 H new TER 1232 GLY A 76