USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 116:sc= 1.11 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.969 USER MOD Set 2.1: A 22 THR OG1 : rot -55:sc= 0.516 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.617 K(o=1.1,f=-3.1!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -158:sc= 1.07 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 159:sc= 0.864 USER MOD Set 4.1: A 7 THR OG1 : rot -62:sc= 0.119 USER MOD Set 4.2: A 9 THR OG1 : rot -22:sc= 0.00112 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.27 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= -0.919 K(o=-0.92,f=-3.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.836 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.92 (180deg=1.48) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0792 K(o=-0.079,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00216 K(o=-0.0022,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= 0.525 K(o=0.52,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0841 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -124:sc= 0.049 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.352 X(o=-0.35,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.341 -6.793 -5.477 1.00 9.67 N ATOM 2 CA MET A 1 11.337 -6.817 -3.982 1.00 10.38 C ATOM 3 C MET A 1 9.967 -7.337 -3.448 1.00 9.62 C ATOM 4 O MET A 1 8.992 -7.234 -4.181 1.00 9.62 O ATOM 5 CB MET A 1 11.508 -5.321 -3.638 1.00 13.77 C ATOM 6 CG MET A 1 12.016 -4.959 -2.213 1.00 16.29 C ATOM 7 SD MET A 1 12.198 -3.196 -1.921 1.00 17.17 S ATOM 8 CE MET A 1 10.485 -2.686 -1.667 1.00 16.11 C ATOM 0 H1 MET A 1 12.227 -6.366 -5.815 1.00 9.67 H new ATOM 0 H2 MET A 1 11.265 -7.765 -5.840 1.00 9.67 H new ATOM 0 H3 MET A 1 10.534 -6.232 -5.817 1.00 9.67 H new ATOM 0 HA MET A 1 12.099 -7.465 -3.549 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.200 -4.888 -4.360 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.545 -4.831 -3.785 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.323 -5.368 -1.478 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.978 -5.444 -2.048 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.449 -1.614 -1.475 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.901 -2.915 -2.559 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.069 -3.221 -0.813 1.00 16.11 H new ATOM 20 N GLN A 2 9.857 -8.101 -2.366 1.00 9.27 N ATOM 21 CA GLN A 2 8.611 -8.609 -1.873 1.00 9.07 C ATOM 22 C GLN A 2 8.194 -7.783 -0.690 1.00 8.72 C ATOM 23 O GLN A 2 9.000 -7.464 0.170 1.00 8.22 O ATOM 24 CB GLN A 2 8.595 -10.119 -1.511 1.00 14.46 C ATOM 25 CG GLN A 2 8.844 -11.117 -2.661 1.00 17.01 C ATOM 26 CD GLN A 2 7.875 -10.933 -3.838 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.358 -10.597 -4.914 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.577 -11.126 -3.574 1.00 19.49 N ATOM 0 H GLN A 2 10.660 -8.383 -1.804 1.00 9.27 H new ATOM 0 HA GLN A 2 7.903 -8.526 -2.697 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.349 -10.291 -0.743 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.628 -10.350 -1.065 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.867 -11.002 -3.019 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.753 -12.133 -2.278 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.283 -11.406 -2.638 1.00 19.49 H new ATOM 0 HE22 GLN A 2 5.882 -10.993 -4.308 1.00 19.49 H new ATOM 37 N ILE A 3 6.893 -7.337 -0.584 1.00 5.87 N ATOM 38 CA ILE A 3 6.354 -6.693 0.610 1.00 5.07 C ATOM 39 C ILE A 3 5.103 -7.313 1.154 1.00 4.01 C ATOM 40 O ILE A 3 4.290 -7.957 0.466 1.00 4.61 O ATOM 41 CB ILE A 3 6.109 -5.210 0.306 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.928 -5.040 -0.700 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.454 -4.579 -0.061 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.522 -3.571 -0.865 1.00 10.83 C ATOM 0 H ILE A 3 6.213 -7.427 -1.339 1.00 5.87 H new ATOM 0 HA ILE A 3 7.102 -6.827 1.391 1.00 5.07 H new ATOM 0 HB ILE A 3 5.754 -4.649 1.170 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.216 -5.448 -1.669 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.070 -5.617 -0.353 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.311 -3.521 -0.283 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.145 -4.684 0.775 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.865 -5.081 -0.937 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.697 -3.499 -1.574 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.209 -3.170 0.099 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.371 -2.998 -1.238 1.00 10.83 H new ATOM 56 N PHE A 4 4.852 -7.086 2.443 1.00 4.55 N ATOM 57 CA PHE A 4 3.692 -7.696 3.054 1.00 4.68 C ATOM 58 C PHE A 4 2.713 -6.592 3.253 1.00 5.30 C ATOM 59 O PHE A 4 3.027 -5.552 3.805 1.00 5.58 O ATOM 60 CB PHE A 4 4.041 -8.234 4.443 1.00 4.83 C ATOM 61 CG PHE A 4 5.038 -9.384 4.344 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.477 -10.512 3.720 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.267 -9.388 5.008 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.255 -11.672 3.673 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.048 -10.514 4.872 1.00 10.61 C ATOM 66 CZ PHE A 4 6.544 -11.702 4.224 1.00 8.90 C ATOM 0 H PHE A 4 5.419 -6.504 3.059 1.00 4.55 H new ATOM 0 HA PHE A 4 3.318 -8.510 2.433 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.461 -7.434 5.053 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.135 -8.574 4.944 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.485 -10.483 3.294 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.590 -8.546 5.602 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.857 -12.560 3.205 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.057 -10.508 5.257 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.148 -12.596 4.165 1.00 8.90 H new ATOM 76 N VAL A 5 1.415 -6.792 2.944 1.00 4.44 N ATOM 77 CA VAL A 5 0.362 -5.806 3.122 1.00 3.87 C ATOM 78 C VAL A 5 -0.648 -6.508 3.871 1.00 4.93 C ATOM 79 O VAL A 5 -1.035 -7.622 3.595 1.00 6.84 O ATOM 80 CB VAL A 5 -0.281 -5.275 1.810 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.154 -4.086 2.004 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.815 -4.859 0.830 1.00 9.13 C ATOM 0 H VAL A 5 1.075 -7.671 2.554 1.00 4.44 H new ATOM 0 HA VAL A 5 0.781 -4.921 3.601 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.893 -6.096 1.436 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.565 -3.776 1.043 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -1.969 -4.340 2.682 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.569 -3.270 2.429 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.360 -4.487 -0.088 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.424 -4.073 1.277 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.444 -5.719 0.601 1.00 9.13 H new ATOM 92 N LYS A 6 -1.199 -5.862 4.928 1.00 6.04 N ATOM 93 CA LYS A 6 -2.208 -6.393 5.787 1.00 6.12 C ATOM 94 C LYS A 6 -3.552 -5.686 5.511 1.00 6.57 C ATOM 95 O LYS A 6 -3.628 -4.427 5.393 1.00 5.76 O ATOM 96 CB LYS A 6 -1.773 -6.061 7.189 1.00 7.45 C ATOM 97 CG LYS A 6 -0.549 -6.836 7.662 1.00 11.12 C ATOM 98 CD LYS A 6 -0.939 -8.171 8.435 1.00 14.54 C ATOM 99 CE LYS A 6 0.100 -8.750 9.373 1.00 18.84 C ATOM 100 NZ LYS A 6 1.061 -9.556 8.646 1.00 20.55 N ATOM 0 H LYS A 6 -0.918 -4.917 5.190 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.336 -7.464 5.633 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.559 -4.994 7.248 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.600 -6.258 7.871 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.074 -7.085 6.803 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.049 -6.202 8.316 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.844 -7.977 9.010 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.188 -8.931 7.694 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.616 -7.943 9.893 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.390 -9.358 10.134 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.518 -10.225 9.299 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.573 -10.084 7.895 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.782 -8.938 8.222 1.00 20.55 H new ATOM 114 N THR A 7 -4.524 -6.552 5.259 1.00 7.41 N ATOM 115 CA THR A 7 -5.865 -6.223 4.782 1.00 7.48 C ATOM 116 C THR A 7 -6.808 -5.874 5.900 1.00 8.75 C ATOM 117 O THR A 7 -6.556 -5.969 7.083 1.00 8.58 O ATOM 118 CB THR A 7 -6.486 -7.302 3.922 1.00 9.61 C ATOM 119 OG1 THR A 7 -6.770 -8.552 4.611 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.555 -7.675 2.749 1.00 9.17 C ATOM 0 H THR A 7 -4.394 -7.555 5.388 1.00 7.41 H new ATOM 0 HA THR A 7 -5.716 -5.343 4.157 1.00 7.48 H new ATOM 0 HB THR A 7 -7.427 -6.857 3.598 1.00 9.61 H new ATOM 0 HG1 THR A 7 -5.933 -8.941 4.941 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.024 -8.452 2.146 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.377 -6.794 2.132 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.606 -8.042 3.140 1.00 9.17 H new ATOM 128 N LEU A 8 -8.068 -5.454 5.539 1.00 9.84 N ATOM 129 CA LEU A 8 -9.077 -5.156 6.585 1.00 14.15 C ATOM 130 C LEU A 8 -9.510 -6.320 7.431 1.00 17.37 C ATOM 131 O LEU A 8 -9.818 -6.118 8.622 1.00 17.01 O ATOM 132 CB LEU A 8 -10.325 -4.576 6.000 1.00 16.63 C ATOM 133 CG LEU A 8 -10.070 -3.149 5.295 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.098 -3.085 4.153 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.265 -2.002 6.285 1.00 18.59 C ATOM 0 H LEU A 8 -8.386 -5.323 4.579 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.546 -4.451 7.225 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.737 -5.271 5.268 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.072 -4.461 6.786 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.048 -3.050 4.928 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.991 -2.140 3.620 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.928 -3.912 3.464 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.105 -3.157 4.565 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.086 -1.052 5.781 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.285 -2.023 6.670 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.563 -2.112 7.112 1.00 18.59 H new ATOM 147 N THR A 9 -9.463 -7.554 6.948 1.00 18.33 N ATOM 148 CA THR A 9 -9.705 -8.732 7.776 1.00 19.24 C ATOM 149 C THR A 9 -8.383 -9.091 8.444 1.00 19.48 C ATOM 150 O THR A 9 -8.421 -10.036 9.190 1.00 23.14 O ATOM 151 CB THR A 9 -10.090 -10.038 7.019 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.079 -10.416 6.024 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.419 -9.880 6.280 1.00 19.70 C ATOM 0 H THR A 9 -9.256 -7.769 5.972 1.00 18.33 H new ATOM 0 HA THR A 9 -10.534 -8.450 8.425 1.00 19.24 H new ATOM 0 HB THR A 9 -10.165 -10.812 7.783 1.00 18.97 H new ATOM 0 HG1 THR A 9 -8.555 -9.626 5.773 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.660 -10.808 5.762 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.208 -9.649 6.996 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.338 -9.070 5.555 1.00 19.70 H new ATOM 161 N GLY A 10 -7.186 -8.415 8.163 1.00 19.43 N ATOM 162 CA GLY A 10 -5.982 -8.692 8.834 1.00 18.74 C ATOM 163 C GLY A 10 -5.285 -9.977 8.331 1.00 17.62 C ATOM 164 O GLY A 10 -4.288 -10.424 8.921 1.00 19.74 O ATOM 0 H GLY A 10 -7.107 -7.682 7.458 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.304 -7.847 8.713 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.182 -8.789 9.901 1.00 18.74 H new ATOM 168 N LYS A 11 -5.844 -10.523 7.250 1.00 13.56 N ATOM 169 CA LYS A 11 -5.113 -11.354 6.361 1.00 11.91 C ATOM 170 C LYS A 11 -3.865 -10.715 5.767 1.00 10.18 C ATOM 171 O LYS A 11 -3.877 -9.515 5.535 1.00 9.10 O ATOM 172 CB LYS A 11 -5.990 -11.960 5.209 1.00 13.43 C ATOM 173 CG LYS A 11 -5.392 -13.218 4.489 1.00 16.69 C ATOM 174 CD LYS A 11 -6.327 -13.652 3.320 1.00 17.92 C ATOM 175 CE LYS A 11 -5.601 -14.434 2.193 1.00 20.81 C ATOM 176 NZ LYS A 11 -5.150 -15.726 2.663 1.00 21.93 N ATOM 0 H LYS A 11 -6.820 -10.386 6.987 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.781 -12.163 7.012 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.963 -12.228 5.621 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.163 -11.185 4.462 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.397 -12.990 4.106 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.280 -14.036 5.200 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.130 -14.272 3.720 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.793 -12.765 2.891 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.274 -14.566 1.346 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.749 -13.856 1.836 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -4.668 -16.228 1.890 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -4.490 -15.596 3.456 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -5.968 -16.284 2.981 1.00 21.93 H new ATOM 190 N THR A 12 -2.816 -11.443 5.554 1.00 9.63 N ATOM 191 CA THR A 12 -1.598 -10.866 5.006 1.00 9.85 C ATOM 192 C THR A 12 -1.468 -11.252 3.526 1.00 11.66 C ATOM 193 O THR A 12 -1.526 -12.401 3.184 1.00 12.33 O ATOM 194 CB THR A 12 -0.363 -11.284 5.719 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.447 -11.167 7.115 1.00 10.91 O ATOM 196 CG2 THR A 12 0.772 -10.281 5.306 1.00 9.63 C ATOM 0 H THR A 12 -2.763 -12.443 5.747 1.00 9.63 H new ATOM 0 HA THR A 12 -1.689 -9.787 5.131 1.00 9.85 H new ATOM 0 HB THR A 12 -0.188 -12.328 5.457 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.223 -11.748 7.533 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.699 -10.554 5.810 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.919 -10.323 4.227 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.486 -9.269 5.594 1.00 9.63 H new ATOM 204 N ILE A 13 -1.119 -10.254 2.691 1.00 10.42 N ATOM 205 CA ILE A 13 -0.748 -10.462 1.274 1.00 11.84 C ATOM 206 C ILE A 13 0.698 -10.138 1.036 1.00 10.55 C ATOM 207 O ILE A 13 1.290 -9.301 1.705 1.00 11.92 O ATOM 208 CB ILE A 13 -1.756 -9.890 0.249 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.315 -8.506 0.560 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.937 -10.929 0.300 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.942 -7.772 -0.591 1.00 16.46 C ATOM 0 H ILE A 13 -1.086 -9.276 2.980 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.838 -11.530 1.073 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.258 -9.759 -0.712 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.060 -8.606 1.349 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.508 -7.892 0.960 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.720 -10.624 -0.394 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.567 -11.915 0.019 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.343 -10.969 1.311 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.303 -6.802 -0.250 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.201 -7.628 -1.377 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.777 -8.353 -0.982 1.00 16.46 H new ATOM 223 N THR A 14 1.325 -10.845 0.078 1.00 9.39 N ATOM 224 CA THR A 14 2.707 -10.656 -0.323 1.00 9.63 C ATOM 225 C THR A 14 2.764 -10.208 -1.737 1.00 11.20 C ATOM 226 O THR A 14 2.134 -10.816 -2.601 1.00 11.63 O ATOM 227 CB THR A 14 3.637 -11.856 -0.137 1.00 10.38 C ATOM 228 OG1 THR A 14 3.482 -12.511 1.175 1.00 16.30 O ATOM 229 CG2 THR A 14 5.093 -11.345 -0.203 1.00 11.66 C ATOM 0 H THR A 14 0.858 -11.584 -0.447 1.00 9.39 H new ATOM 0 HA THR A 14 3.085 -9.898 0.363 1.00 9.63 H new ATOM 0 HB THR A 14 3.390 -12.577 -0.916 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.840 -11.928 1.876 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.779 -12.182 -0.073 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.271 -10.877 -1.171 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.258 -10.614 0.589 1.00 11.66 H new ATOM 237 N LEU A 15 3.433 -9.088 -2.030 1.00 8.29 N ATOM 238 CA LEU A 15 3.374 -8.432 -3.335 1.00 9.03 C ATOM 239 C LEU A 15 4.672 -8.241 -3.947 1.00 8.59 C ATOM 240 O LEU A 15 5.602 -7.660 -3.367 1.00 7.79 O ATOM 241 CB LEU A 15 2.661 -7.037 -3.261 1.00 11.08 C ATOM 242 CG LEU A 15 1.257 -7.014 -2.730 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.643 -5.650 -2.686 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.323 -8.025 -3.424 1.00 15.27 C ATOM 0 H LEU A 15 4.035 -8.609 -1.360 1.00 8.29 H new ATOM 0 HA LEU A 15 2.796 -9.118 -3.955 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.269 -6.379 -2.640 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.651 -6.609 -4.263 1.00 11.08 H new ATOM 0 HG LEU A 15 1.365 -7.335 -1.694 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.370 -5.720 -2.291 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.240 -5.003 -2.043 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.612 -5.232 -3.692 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.675 -7.955 -2.991 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.273 -7.802 -4.490 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.710 -9.034 -3.282 1.00 15.27 H new ATOM 256 N GLU A 16 4.884 -8.572 -5.305 1.00 11.04 N ATOM 257 CA GLU A 16 6.100 -8.272 -5.955 1.00 11.50 C ATOM 258 C GLU A 16 6.124 -6.903 -6.508 1.00 10.13 C ATOM 259 O GLU A 16 5.260 -6.513 -7.324 1.00 9.83 O ATOM 260 CB GLU A 16 6.235 -9.401 -7.033 1.00 17.22 C ATOM 261 CG GLU A 16 7.290 -9.193 -8.081 1.00 23.33 C ATOM 262 CD GLU A 16 7.260 -10.319 -9.116 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.591 -11.434 -8.775 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.095 -9.926 -10.312 1.00 28.90 O ATOM 0 H GLU A 16 4.193 -9.037 -5.894 1.00 11.04 H new ATOM 0 HA GLU A 16 6.954 -8.265 -5.278 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.441 -10.341 -6.521 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.273 -9.515 -7.533 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.133 -8.235 -8.576 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.272 -9.152 -7.611 1.00 23.33 H new ATOM 271 N VAL A 17 7.010 -6.036 -6.072 1.00 8.99 N ATOM 272 CA VAL A 17 7.088 -4.629 -6.373 1.00 8.85 C ATOM 273 C VAL A 17 8.525 -4.275 -6.533 1.00 8.04 C ATOM 274 O VAL A 17 9.467 -4.945 -6.081 1.00 8.99 O ATOM 275 CB VAL A 17 6.589 -3.730 -5.234 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.058 -3.742 -5.208 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.149 -4.195 -3.839 1.00 10.54 C ATOM 0 H VAL A 17 7.759 -6.326 -5.443 1.00 8.99 H new ATOM 0 HA VAL A 17 6.473 -4.469 -7.258 1.00 8.85 H new ATOM 0 HB VAL A 17 6.952 -2.719 -5.417 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.703 -3.104 -4.399 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.675 -3.370 -6.158 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.705 -4.761 -5.048 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.774 -3.534 -3.058 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.824 -5.216 -3.638 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.238 -4.158 -3.853 1.00 10.54 H new ATOM 287 N GLU A 18 8.767 -3.165 -7.272 1.00 7.29 N ATOM 288 CA GLU A 18 10.084 -2.549 -7.334 1.00 7.08 C ATOM 289 C GLU A 18 10.181 -1.484 -6.238 1.00 6.45 C ATOM 290 O GLU A 18 9.101 -0.948 -5.916 1.00 5.28 O ATOM 291 CB GLU A 18 10.236 -1.897 -8.770 1.00 10.28 C ATOM 292 CG GLU A 18 10.384 -2.905 -9.945 1.00 12.65 C ATOM 293 CD GLU A 18 11.672 -3.621 -9.890 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.730 -2.998 -9.910 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.563 -4.865 -9.624 1.00 14.33 O ATOM 0 H GLU A 18 8.057 -2.689 -7.828 1.00 7.29 H new ATOM 0 HA GLU A 18 10.879 -3.278 -7.176 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.366 -1.269 -8.960 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.107 -1.242 -8.763 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.566 -3.625 -9.912 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.303 -2.373 -10.893 1.00 12.65 H new ATOM 302 N PRO A 19 11.332 -1.129 -5.650 1.00 7.24 N ATOM 303 CA PRO A 19 11.435 -0.015 -4.758 1.00 7.07 C ATOM 304 C PRO A 19 11.197 1.328 -5.438 1.00 6.65 C ATOM 305 O PRO A 19 10.971 2.373 -4.830 1.00 6.37 O ATOM 306 CB PRO A 19 12.924 -0.143 -4.240 1.00 7.61 C ATOM 307 CG PRO A 19 13.636 -0.810 -5.428 1.00 8.16 C ATOM 308 CD PRO A 19 12.576 -1.763 -5.928 1.00 7.49 C ATOM 0 HA PRO A 19 10.680 -0.038 -3.972 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.356 0.829 -4.003 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.988 -0.749 -3.336 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.927 -0.086 -6.189 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.543 -1.331 -5.121 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.690 -1.952 -6.995 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.646 -2.727 -5.424 1.00 7.49 H new ATOM 316 N SER A 20 11.257 1.381 -6.761 1.00 6.80 N ATOM 317 CA SER A 20 11.118 2.553 -7.521 1.00 6.28 C ATOM 318 C SER A 20 9.671 2.823 -7.956 1.00 8.45 C ATOM 319 O SER A 20 9.320 3.839 -8.542 1.00 7.26 O ATOM 320 CB SER A 20 12.039 2.583 -8.766 1.00 8.57 C ATOM 321 OG SER A 20 11.753 1.481 -9.637 1.00 11.13 O ATOM 0 H SER A 20 11.413 0.552 -7.334 1.00 6.80 H new ATOM 0 HA SER A 20 11.428 3.348 -6.843 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.902 3.522 -9.303 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.082 2.544 -8.453 1.00 8.57 H new ATOM 0 HG SER A 20 12.344 1.519 -10.418 1.00 11.13 H new ATOM 327 N ASP A 21 8.785 1.881 -7.599 1.00 7.50 N ATOM 328 CA ASP A 21 7.350 1.919 -7.811 1.00 7.70 C ATOM 329 C ASP A 21 6.725 2.980 -6.885 1.00 7.08 C ATOM 330 O ASP A 21 7.122 3.220 -5.791 1.00 8.11 O ATOM 331 CB ASP A 21 6.697 0.522 -7.745 1.00 11.00 C ATOM 332 CG ASP A 21 6.952 -0.337 -8.981 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.062 0.229 -10.120 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.938 -1.633 -8.912 1.00 18.03 O ATOM 0 H ASP A 21 9.080 1.026 -7.127 1.00 7.50 H new ATOM 0 HA ASP A 21 7.143 2.233 -8.834 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.072 -0.003 -6.866 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.622 0.640 -7.612 1.00 11.00 H new ATOM 339 N THR A 22 5.664 3.679 -7.335 1.00 5.37 N ATOM 340 CA THR A 22 4.947 4.544 -6.415 1.00 6.01 C ATOM 341 C THR A 22 4.019 3.859 -5.487 1.00 8.01 C ATOM 342 O THR A 22 3.597 2.762 -5.720 1.00 8.11 O ATOM 343 CB THR A 22 4.149 5.634 -7.126 1.00 8.92 C ATOM 344 OG1 THR A 22 3.177 5.097 -7.987 1.00 10.22 O ATOM 345 CG2 THR A 22 5.134 6.513 -7.936 1.00 9.65 C ATOM 0 H THR A 22 5.306 3.657 -8.290 1.00 5.37 H new ATOM 0 HA THR A 22 5.761 4.971 -5.829 1.00 6.01 H new ATOM 0 HB THR A 22 3.626 6.226 -6.375 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.605 4.487 -8.624 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.581 7.298 -8.452 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.860 6.964 -7.259 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.655 5.896 -8.668 1.00 9.65 H new ATOM 353 N ILE A 23 3.514 4.587 -4.433 1.00 8.32 N ATOM 354 CA ILE A 23 2.492 4.119 -3.504 1.00 9.92 C ATOM 355 C ILE A 23 1.225 3.657 -4.257 1.00 10.01 C ATOM 356 O ILE A 23 0.492 2.687 -3.852 1.00 8.71 O ATOM 357 CB ILE A 23 2.157 5.215 -2.444 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.449 5.605 -1.616 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.141 4.620 -1.471 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.868 4.511 -0.610 1.00 12.30 C ATOM 0 H ILE A 23 3.832 5.534 -4.225 1.00 8.32 H new ATOM 0 HA ILE A 23 2.891 3.255 -2.972 1.00 9.92 H new ATOM 0 HB ILE A 23 1.774 6.102 -2.949 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.273 5.794 -2.304 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.263 6.535 -1.078 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.884 5.362 -0.715 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.242 4.331 -2.015 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.571 3.743 -0.988 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.759 4.834 -0.072 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.058 4.339 0.099 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.083 3.587 -1.146 1.00 12.30 H new ATOM 372 N GLU A 24 0.843 4.494 -5.317 1.00 9.54 N ATOM 373 CA GLU A 24 -0.111 4.122 -6.316 1.00 11.81 C ATOM 374 C GLU A 24 0.121 2.822 -7.189 1.00 11.14 C ATOM 375 O GLU A 24 -0.782 2.024 -7.333 1.00 10.62 O ATOM 376 CB GLU A 24 -0.275 5.288 -7.322 1.00 19.24 C ATOM 377 CG GLU A 24 -1.558 5.327 -8.107 1.00 27.76 C ATOM 378 CD GLU A 24 -1.702 6.565 -8.962 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.689 6.869 -9.598 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.758 7.258 -8.987 1.00 36.51 O ATOM 0 H GLU A 24 1.223 5.432 -5.448 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.979 3.887 -5.700 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.183 6.226 -6.774 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.555 5.248 -8.028 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.611 4.445 -8.746 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.399 5.272 -7.416 1.00 27.76 H new ATOM 387 N ASN A 25 1.322 2.569 -7.676 1.00 9.43 N ATOM 388 CA ASN A 25 1.665 1.264 -8.190 1.00 10.96 C ATOM 389 C ASN A 25 1.402 0.128 -7.253 1.00 9.68 C ATOM 390 O ASN A 25 0.945 -0.956 -7.609 1.00 9.33 O ATOM 391 CB ASN A 25 3.192 1.221 -8.686 1.00 16.78 C ATOM 392 CG ASN A 25 3.524 2.016 -9.946 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.196 3.053 -9.982 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.275 1.406 -11.116 1.00 24.70 N ATOM 0 H ASN A 25 2.075 3.255 -7.725 1.00 9.43 H new ATOM 0 HA ASN A 25 0.991 1.117 -9.034 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.824 1.586 -7.876 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.465 0.180 -8.858 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.636 1.801 -11.984 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.725 0.547 -11.137 1.00 24.70 H new ATOM 401 N VAL A 26 1.683 0.291 -5.955 1.00 6.52 N ATOM 402 CA VAL A 26 1.427 -0.698 -4.911 1.00 5.53 C ATOM 403 C VAL A 26 -0.091 -0.866 -4.741 1.00 4.42 C ATOM 404 O VAL A 26 -0.596 -1.992 -4.626 1.00 3.40 O ATOM 405 CB VAL A 26 2.073 -0.304 -3.611 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.572 -1.244 -2.445 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.601 -0.250 -3.874 1.00 8.12 C ATOM 0 H VAL A 26 2.109 1.145 -5.594 1.00 6.52 H new ATOM 0 HA VAL A 26 1.866 -1.650 -5.209 1.00 5.53 H new ATOM 0 HB VAL A 26 1.786 0.686 -3.255 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.047 -0.948 -1.510 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.490 -1.156 -2.346 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.833 -2.277 -2.673 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.118 0.033 -2.957 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.949 -1.230 -4.199 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.811 0.486 -4.651 1.00 8.12 H new ATOM 417 N LYS A 27 -0.878 0.203 -4.769 1.00 2.64 N ATOM 418 CA LYS A 27 -2.330 0.124 -4.578 1.00 4.14 C ATOM 419 C LYS A 27 -2.995 -0.486 -5.837 1.00 5.58 C ATOM 420 O LYS A 27 -4.011 -1.165 -5.855 1.00 4.11 O ATOM 421 CB LYS A 27 -3.036 1.529 -4.385 1.00 3.97 C ATOM 422 CG LYS A 27 -2.726 2.156 -3.040 1.00 7.45 C ATOM 423 CD LYS A 27 -3.174 3.625 -2.978 1.00 9.02 C ATOM 424 CE LYS A 27 -2.838 4.226 -1.608 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.300 5.591 -1.575 1.00 15.47 N ATOM 0 H LYS A 27 -0.533 1.150 -4.924 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.456 -0.476 -3.677 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.717 2.204 -5.179 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.114 1.407 -4.485 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.224 1.591 -2.252 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.655 2.094 -2.848 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.681 4.196 -3.764 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.247 3.693 -3.160 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.312 3.648 -0.815 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.763 4.187 -1.432 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.679 6.153 -0.958 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.283 5.987 -2.537 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.272 5.620 -1.206 1.00 15.47 H new ATOM 439 N ALA A 28 -2.326 -0.382 -7.005 1.00 6.61 N ATOM 440 CA ALA A 28 -2.746 -1.178 -8.170 1.00 7.74 C ATOM 441 C ALA A 28 -2.523 -2.683 -7.998 1.00 9.17 C ATOM 442 O ALA A 28 -3.375 -3.516 -8.271 1.00 11.45 O ATOM 443 CB ALA A 28 -2.207 -0.666 -9.466 1.00 7.68 C ATOM 0 H ALA A 28 -1.521 0.224 -7.162 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.826 -1.042 -8.219 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.556 -1.300 -10.281 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.554 0.355 -9.626 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.117 -0.679 -9.437 1.00 7.68 H new ATOM 449 N LYS A 29 -1.347 -3.088 -7.446 1.00 8.96 N ATOM 450 CA LYS A 29 -1.109 -4.479 -7.122 1.00 7.90 C ATOM 451 C LYS A 29 -2.129 -5.078 -6.121 1.00 6.92 C ATOM 452 O LYS A 29 -2.485 -6.264 -6.194 1.00 6.87 O ATOM 453 CB LYS A 29 0.331 -4.647 -6.651 1.00 10.28 C ATOM 454 CG LYS A 29 1.324 -4.329 -7.773 1.00 14.94 C ATOM 455 CD LYS A 29 1.248 -5.388 -8.868 1.00 19.69 C ATOM 456 CE LYS A 29 2.428 -5.413 -9.847 1.00 22.63 C ATOM 457 NZ LYS A 29 2.387 -6.515 -10.770 1.00 24.98 N ATOM 0 H LYS A 29 -0.572 -2.462 -7.227 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.261 -5.057 -8.033 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.517 -3.990 -5.801 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.486 -5.669 -6.304 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.106 -3.347 -8.193 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.336 -4.286 -7.370 1.00 14.94 H new ATOM 0 HD2 LYS A 29 1.169 -6.368 -8.397 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.331 -5.233 -9.436 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.443 -4.479 -10.409 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.358 -5.459 -9.281 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.213 -6.470 -11.401 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.403 -7.411 -10.242 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 1.516 -6.462 -11.336 1.00 24.98 H new ATOM 471 N ILE A 30 -2.645 -4.250 -5.133 1.00 4.57 N ATOM 472 CA ILE A 30 -3.687 -4.576 -4.169 1.00 5.58 C ATOM 473 C ILE A 30 -5.024 -4.715 -4.851 1.00 7.26 C ATOM 474 O ILE A 30 -5.841 -5.606 -4.459 1.00 9.46 O ATOM 475 CB ILE A 30 -3.694 -3.539 -3.031 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.353 -3.542 -2.378 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.861 -3.798 -2.093 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.261 -2.441 -1.288 1.00 2.00 C ATOM 0 H ILE A 30 -2.303 -3.297 -5.013 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.475 -5.545 -3.717 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.856 -2.529 -3.408 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.165 -4.518 -1.931 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.579 -3.381 -3.128 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.855 -3.058 -1.292 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.797 -3.725 -2.648 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.769 -4.796 -1.665 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.273 -2.466 -0.828 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.425 -1.464 -1.743 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.020 -2.619 -0.526 1.00 2.00 H new ATOM 490 N GLN A 31 -5.286 -3.931 -5.875 1.00 7.06 N ATOM 491 CA GLN A 31 -6.511 -3.949 -6.662 1.00 8.67 C ATOM 492 C GLN A 31 -6.670 -5.338 -7.388 1.00 10.90 C ATOM 493 O GLN A 31 -7.699 -5.904 -7.528 1.00 9.63 O ATOM 494 CB GLN A 31 -6.517 -2.728 -7.722 1.00 9.12 C ATOM 495 CG GLN A 31 -7.859 -2.637 -8.607 1.00 10.76 C ATOM 496 CD GLN A 31 -7.898 -1.644 -9.686 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.844 -1.240 -10.142 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.144 -1.125 -9.998 1.00 14.76 N ATOM 0 H GLN A 31 -4.622 -3.229 -6.201 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.363 -3.817 -5.996 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.386 -1.790 -7.182 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.661 -2.834 -8.388 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.038 -3.618 -9.047 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.692 -2.434 -7.934 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.982 -1.520 -9.572 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.223 -0.348 -10.654 1.00 14.76 H new ATOM 507 N ASP A 32 -5.554 -5.939 -7.883 1.00 10.93 N ATOM 508 CA ASP A 32 -5.486 -7.221 -8.504 1.00 14.01 C ATOM 509 C ASP A 32 -5.783 -8.339 -7.447 1.00 14.04 C ATOM 510 O ASP A 32 -6.522 -9.254 -7.725 1.00 13.39 O ATOM 511 CB ASP A 32 -4.095 -7.257 -9.220 1.00 18.01 C ATOM 512 CG ASP A 32 -3.999 -8.528 -10.078 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.855 -8.767 -10.941 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.005 -9.256 -9.831 1.00 25.17 O ATOM 0 H ASP A 32 -4.642 -5.485 -7.839 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.245 -7.410 -9.264 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.972 -6.372 -9.845 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.293 -7.241 -8.482 1.00 18.01 H new ATOM 519 N LYS A 33 -5.244 -8.125 -6.226 1.00 14.22 N ATOM 520 CA LYS A 33 -5.414 -9.058 -5.145 1.00 14.00 C ATOM 521 C LYS A 33 -6.873 -9.061 -4.694 1.00 12.37 C ATOM 522 O LYS A 33 -7.591 -10.020 -4.706 1.00 12.17 O ATOM 523 CB LYS A 33 -4.552 -8.714 -3.944 1.00 18.62 C ATOM 524 CG LYS A 33 -3.079 -9.065 -4.058 1.00 24.00 C ATOM 525 CD LYS A 33 -2.779 -10.601 -4.063 1.00 27.61 C ATOM 526 CE LYS A 33 -1.343 -10.998 -4.171 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.121 -12.426 -4.379 1.00 30.06 N ATOM 0 H LYS A 33 -4.689 -7.303 -5.987 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.113 -10.036 -5.520 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.636 -7.644 -3.756 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.960 -9.224 -3.071 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.683 -8.627 -4.974 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.543 -8.605 -3.228 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.184 -11.031 -3.147 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.321 -11.052 -4.894 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.889 -10.449 -4.996 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.826 -10.692 -3.262 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.100 -12.613 -4.442 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.522 -12.959 -3.581 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.583 -12.724 -5.262 1.00 30.06 H new ATOM 541 N GLU A 34 -7.475 -7.856 -4.360 1.00 10.11 N ATOM 542 CA GLU A 34 -8.564 -7.857 -3.415 1.00 10.07 C ATOM 543 C GLU A 34 -9.709 -7.145 -4.100 1.00 9.32 C ATOM 544 O GLU A 34 -10.824 -7.148 -3.571 1.00 11.61 O ATOM 545 CB GLU A 34 -8.093 -7.040 -2.114 1.00 14.77 C ATOM 546 CG GLU A 34 -7.110 -7.770 -1.158 1.00 18.75 C ATOM 547 CD GLU A 34 -7.702 -9.114 -0.647 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.597 -9.052 0.208 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.297 -10.205 -1.143 1.00 21.95 O ATOM 0 H GLU A 34 -7.212 -6.943 -4.731 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.862 -8.860 -3.109 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.624 -6.113 -2.444 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.980 -6.763 -1.545 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.170 -7.959 -1.677 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.881 -7.126 -0.309 1.00 18.75 H new ATOM 556 N GLY A 35 -9.478 -6.468 -5.290 1.00 7.22 N ATOM 557 CA GLY A 35 -10.599 -5.896 -5.991 1.00 6.29 C ATOM 558 C GLY A 35 -10.922 -4.475 -5.761 1.00 6.93 C ATOM 559 O GLY A 35 -11.954 -4.026 -6.290 1.00 7.41 O ATOM 0 H GLY A 35 -8.566 -6.334 -5.727 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.424 -6.028 -7.059 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.482 -6.482 -5.738 1.00 6.29 H new ATOM 563 N ILE A 36 -10.137 -3.745 -4.969 1.00 5.86 N ATOM 564 CA ILE A 36 -10.433 -2.405 -4.434 1.00 6.07 C ATOM 565 C ILE A 36 -9.827 -1.301 -5.266 1.00 6.36 C ATOM 566 O ILE A 36 -8.604 -1.403 -5.489 1.00 6.18 O ATOM 567 CB ILE A 36 -9.770 -2.180 -3.106 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.991 -3.505 -2.266 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.373 -1.011 -2.351 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.540 -3.451 -0.801 1.00 9.49 C ATOM 0 H ILE A 36 -9.226 -4.087 -4.663 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.522 -2.375 -4.403 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.716 -1.948 -3.260 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.052 -3.755 -2.291 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.460 -4.319 -2.760 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.859 -0.890 -1.397 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.263 -0.101 -2.941 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.431 -1.201 -2.171 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.739 -4.411 -0.324 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.472 -3.238 -0.757 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.088 -2.666 -0.280 1.00 9.49 H new ATOM 582 N PRO A 37 -10.626 -0.313 -5.648 1.00 8.65 N ATOM 583 CA PRO A 37 -10.081 0.876 -6.391 1.00 9.18 C ATOM 584 C PRO A 37 -8.849 1.539 -5.707 1.00 9.85 C ATOM 585 O PRO A 37 -8.996 1.852 -4.519 1.00 8.51 O ATOM 586 CB PRO A 37 -11.205 1.892 -6.433 1.00 11.42 C ATOM 587 CG PRO A 37 -12.414 0.953 -6.393 1.00 9.27 C ATOM 588 CD PRO A 37 -12.075 -0.285 -5.573 1.00 8.33 C ATOM 0 HA PRO A 37 -9.742 0.545 -7.373 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.180 2.576 -5.585 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.181 2.503 -7.336 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.271 1.466 -5.957 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.696 0.664 -7.405 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.428 -0.202 -4.545 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.522 -1.186 -5.992 1.00 8.33 H new ATOM 596 N PRO A 38 -7.733 1.845 -6.339 1.00 8.71 N ATOM 597 CA PRO A 38 -6.570 2.629 -5.781 1.00 9.08 C ATOM 598 C PRO A 38 -6.967 3.933 -5.178 1.00 9.28 C ATOM 599 O PRO A 38 -6.401 4.400 -4.187 1.00 6.50 O ATOM 600 CB PRO A 38 -5.589 2.728 -6.888 1.00 10.31 C ATOM 601 CG PRO A 38 -5.792 1.366 -7.561 1.00 10.81 C ATOM 602 CD PRO A 38 -7.307 1.231 -7.566 1.00 12.00 C ATOM 0 HA PRO A 38 -6.120 2.122 -4.927 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.804 3.559 -7.560 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.569 2.865 -6.528 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.378 1.345 -8.569 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.314 0.561 -7.003 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.746 1.729 -8.431 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.611 0.185 -7.612 1.00 12.00 H new ATOM 610 N ASP A 39 -8.010 4.548 -5.748 1.00 11.20 N ATOM 611 CA ASP A 39 -8.528 5.831 -5.215 1.00 14.96 C ATOM 612 C ASP A 39 -9.342 5.722 -3.910 1.00 13.99 C ATOM 613 O ASP A 39 -9.295 6.664 -3.160 1.00 13.75 O ATOM 614 CB ASP A 39 -9.506 6.317 -6.323 1.00 24.16 C ATOM 615 CG ASP A 39 -9.912 7.791 -6.171 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.053 8.734 -6.240 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.191 8.038 -6.124 1.00 35.55 O ATOM 0 H ASP A 39 -8.510 4.193 -6.563 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.686 6.482 -4.980 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.040 6.174 -7.298 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.402 5.697 -6.305 1.00 24.16 H new ATOM 622 N GLN A 40 -9.876 4.542 -3.551 1.00 11.60 N ATOM 623 CA GLN A 40 -10.564 4.243 -2.286 1.00 10.76 C ATOM 624 C GLN A 40 -9.606 3.682 -1.300 1.00 8.01 C ATOM 625 O GLN A 40 -9.957 3.614 -0.111 1.00 8.96 O ATOM 626 CB GLN A 40 -11.623 3.171 -2.604 1.00 11.14 C ATOM 627 CG GLN A 40 -12.767 3.120 -1.509 1.00 14.85 C ATOM 628 CD GLN A 40 -13.685 1.877 -1.699 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.358 0.964 -2.468 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.881 1.914 -1.069 1.00 18.16 N ATOM 0 H GLN A 40 -9.837 3.730 -4.168 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.006 5.147 -1.868 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.064 3.376 -3.579 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.142 2.195 -2.671 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.320 3.095 -0.515 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.367 4.028 -1.566 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.104 2.688 -0.444 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.560 1.167 -1.219 1.00 18.16 H new ATOM 639 N GLN A 41 -8.325 3.310 -1.709 1.00 6.52 N ATOM 640 CA GLN A 41 -7.311 2.819 -0.791 1.00 3.87 C ATOM 641 C GLN A 41 -6.521 3.831 -0.089 1.00 4.79 C ATOM 642 O GLN A 41 -5.935 4.743 -0.648 1.00 6.34 O ATOM 643 CB GLN A 41 -6.195 2.018 -1.486 1.00 4.20 C ATOM 644 CG GLN A 41 -6.798 0.728 -2.045 1.00 3.20 C ATOM 645 CD GLN A 41 -5.859 -0.144 -2.869 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.744 -0.394 -2.443 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.339 -0.591 -4.059 1.00 7.13 N ATOM 0 H GLN A 41 -8.013 3.357 -2.679 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.947 2.248 -0.114 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.750 2.607 -2.288 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.398 1.788 -0.779 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.175 0.135 -1.212 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.656 0.990 -2.664 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.283 -0.343 -4.354 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.755 -1.175 -4.658 1.00 7.13 H new ATOM 656 N ARG A 42 -6.253 3.534 1.184 1.00 5.73 N ATOM 657 CA ARG A 42 -5.386 4.227 2.026 1.00 6.97 C ATOM 658 C ARG A 42 -4.371 3.250 2.539 1.00 7.15 C ATOM 659 O ARG A 42 -4.710 2.153 2.879 1.00 7.33 O ATOM 660 CB ARG A 42 -6.212 4.772 3.266 1.00 13.23 C ATOM 661 CG ARG A 42 -6.860 6.195 3.268 1.00 21.27 C ATOM 662 CD ARG A 42 -7.548 6.561 4.566 1.00 26.14 C ATOM 663 NE ARG A 42 -8.022 7.972 4.477 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.172 8.452 5.030 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.054 7.709 5.701 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.406 9.734 4.931 1.00 36.39 N ATOM 0 H ARG A 42 -6.688 2.738 1.650 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.909 5.051 1.495 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.017 4.060 3.445 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.549 4.727 4.130 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.087 6.934 3.058 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.585 6.253 2.456 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.388 5.891 4.750 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.860 6.446 5.403 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.439 8.631 3.961 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.888 6.711 5.828 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.894 8.139 6.087 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.739 10.339 4.452 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.256 10.130 5.332 1.00 36.39 H new ATOM 680 N LEU A 43 -3.084 3.681 2.610 1.00 4.65 N ATOM 681 CA LEU A 43 -1.985 2.803 2.963 1.00 3.51 C ATOM 682 C LEU A 43 -1.207 3.375 4.116 1.00 5.56 C ATOM 683 O LEU A 43 -0.858 4.564 4.109 1.00 4.19 O ATOM 684 CB LEU A 43 -1.049 2.532 1.763 1.00 3.74 C ATOM 685 CG LEU A 43 -1.608 1.486 0.756 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.728 1.273 -0.454 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.860 0.053 1.393 1.00 6.41 C ATOM 0 H LEU A 43 -2.802 4.643 2.422 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.416 1.847 3.261 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.868 3.469 1.236 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.086 2.185 2.136 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.555 1.935 0.456 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.184 0.531 -1.109 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.617 2.214 -0.993 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.252 0.921 -0.133 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.249 -0.621 0.630 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.922 -0.342 1.782 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.582 0.138 2.205 1.00 6.41 H new ATOM 699 N ILE A 44 -0.967 2.585 5.162 1.00 4.58 N ATOM 700 CA ILE A 44 -0.327 2.996 6.409 1.00 5.55 C ATOM 701 C ILE A 44 0.886 2.098 6.600 1.00 5.46 C ATOM 702 O ILE A 44 0.768 0.968 6.378 1.00 6.04 O ATOM 703 CB ILE A 44 -1.310 2.855 7.641 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.531 3.742 7.541 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.604 3.049 8.985 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.495 3.496 8.757 1.00 13.90 C ATOM 0 H ILE A 44 -1.225 1.598 5.162 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.041 4.046 6.354 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.663 1.825 7.598 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.226 4.788 7.518 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.057 3.542 6.607 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.326 2.941 9.794 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.180 2.299 9.096 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.162 4.045 9.023 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.367 4.143 8.667 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.815 2.454 8.762 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.972 3.719 9.687 1.00 13.90 H new ATOM 718 N PHE A 45 1.993 2.647 7.063 1.00 6.75 N ATOM 719 CA PHE A 45 3.187 1.948 7.430 1.00 4.70 C ATOM 720 C PHE A 45 3.700 2.653 8.657 1.00 6.34 C ATOM 721 O PHE A 45 3.911 3.849 8.624 1.00 5.45 O ATOM 722 CB PHE A 45 4.182 2.076 6.294 1.00 5.51 C ATOM 723 CG PHE A 45 5.639 1.774 6.532 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.910 0.536 7.212 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.643 2.617 6.092 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.250 0.189 7.377 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.975 2.181 6.209 1.00 6.64 C ATOM 728 CZ PHE A 45 8.299 1.038 7.002 1.00 6.84 C ATOM 0 H PHE A 45 2.077 3.655 7.197 1.00 6.75 H new ATOM 0 HA PHE A 45 3.021 0.888 7.624 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.842 1.423 5.490 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.119 3.098 5.922 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.113 -0.095 7.577 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.411 3.584 5.670 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.488 -0.771 7.810 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.760 2.715 5.695 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.317 0.836 7.302 1.00 6.84 H new ATOM 738 N ALA A 46 3.929 1.918 9.808 1.00 6.53 N ATOM 739 CA ALA A 46 4.485 2.409 11.055 1.00 7.15 C ATOM 740 C ALA A 46 3.825 3.718 11.635 1.00 9.00 C ATOM 741 O ALA A 46 4.489 4.726 11.908 1.00 11.15 O ATOM 742 CB ALA A 46 6.012 2.570 10.894 1.00 8.99 C ATOM 0 H ALA A 46 3.707 0.923 9.854 1.00 6.53 H new ATOM 0 HA ALA A 46 4.249 1.656 11.807 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.439 2.939 11.826 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.456 1.605 10.648 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.221 3.280 10.094 1.00 8.99 H new ATOM 748 N GLY A 47 2.498 3.646 11.715 1.00 9.35 N ATOM 749 CA GLY A 47 1.779 4.778 12.198 1.00 11.68 C ATOM 750 C GLY A 47 1.606 5.866 11.179 1.00 11.14 C ATOM 751 O GLY A 47 1.101 6.910 11.514 1.00 13.93 O ATOM 0 H GLY A 47 1.932 2.837 11.457 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.796 4.454 12.540 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.300 5.185 13.065 1.00 11.68 H new ATOM 755 N LYS A 48 2.133 5.754 9.968 1.00 10.47 N ATOM 756 CA LYS A 48 2.226 6.903 9.079 1.00 8.82 C ATOM 757 C LYS A 48 1.435 6.672 7.793 1.00 7.68 C ATOM 758 O LYS A 48 1.598 5.643 7.149 1.00 6.47 O ATOM 759 CB LYS A 48 3.726 7.143 8.667 1.00 9.74 C ATOM 760 CG LYS A 48 3.976 8.433 7.899 1.00 14.14 C ATOM 761 CD LYS A 48 5.485 8.640 7.763 1.00 16.32 C ATOM 762 CE LYS A 48 5.956 10.027 7.196 1.00 20.04 C ATOM 763 NZ LYS A 48 7.443 10.144 7.082 1.00 23.92 N ATOM 0 H LYS A 48 2.501 4.885 9.580 1.00 10.47 H new ATOM 0 HA LYS A 48 1.822 7.761 9.616 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.340 7.148 9.568 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.060 6.303 8.058 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.512 8.382 6.914 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.525 9.277 8.421 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.938 8.502 8.745 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.880 7.856 7.117 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.510 10.181 6.213 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.584 10.822 7.843 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.689 11.080 6.702 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.873 10.027 8.021 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.801 9.406 6.443 1.00 23.92 H new ATOM 777 N GLN A 49 0.546 7.612 7.308 1.00 8.89 N ATOM 778 CA GLN A 49 -0.253 7.433 6.132 1.00 7.18 C ATOM 779 C GLN A 49 0.574 7.774 4.917 1.00 8.23 C ATOM 780 O GLN A 49 1.521 8.611 4.996 1.00 9.70 O ATOM 781 CB GLN A 49 -1.630 8.269 6.189 1.00 11.67 C ATOM 782 CG GLN A 49 -2.346 7.931 7.479 1.00 15.82 C ATOM 783 CD GLN A 49 -3.778 8.309 7.428 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.652 7.603 7.952 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.131 9.480 6.824 1.00 20.67 N ATOM 0 H GLN A 49 0.396 8.513 7.762 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.555 6.388 6.071 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.426 9.339 6.139 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.258 8.024 5.332 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.259 6.862 7.674 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.863 8.447 8.309 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.417 10.066 6.391 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.109 9.770 6.806 1.00 20.67 H new ATOM 794 N LEU A 50 0.352 7.169 3.735 1.00 6.51 N ATOM 795 CA LEU A 50 1.272 7.300 2.580 1.00 7.41 C ATOM 796 C LEU A 50 0.693 7.931 1.371 1.00 8.27 C ATOM 797 O LEU A 50 -0.334 7.513 0.851 1.00 8.34 O ATOM 798 CB LEU A 50 1.834 5.852 2.200 1.00 7.13 C ATOM 799 CG LEU A 50 2.415 5.024 3.376 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.835 3.612 2.896 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.660 5.735 4.058 1.00 9.11 C ATOM 0 H LEU A 50 -0.460 6.580 3.550 1.00 6.51 H new ATOM 0 HA LEU A 50 2.060 7.978 2.908 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.028 5.279 1.740 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.611 5.971 1.445 1.00 7.13 H new ATOM 0 HG LEU A 50 1.622 4.942 4.120 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.240 3.048 3.736 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.966 3.091 2.494 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.595 3.703 2.120 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.030 5.116 4.875 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.450 5.872 3.320 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.356 6.706 4.448 1.00 9.11 H new ATOM 813 N GLU A 51 1.295 9.017 0.812 1.00 9.43 N ATOM 814 CA GLU A 51 0.739 9.807 -0.325 1.00 11.90 C ATOM 815 C GLU A 51 1.190 9.250 -1.636 1.00 11.49 C ATOM 816 O GLU A 51 2.319 8.829 -1.854 1.00 9.88 O ATOM 817 CB GLU A 51 1.054 11.290 -0.278 1.00 16.56 C ATOM 818 CG GLU A 51 2.471 11.821 -0.700 1.00 26.06 C ATOM 819 CD GLU A 51 2.507 13.358 -0.694 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.551 13.973 -1.194 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.525 13.968 -0.222 1.00 32.13 O ATOM 0 H GLU A 51 2.192 9.374 1.142 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.342 9.715 -0.222 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.321 11.794 -0.908 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.878 11.623 0.745 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.227 11.433 -0.017 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.720 11.452 -1.695 1.00 26.06 H new ATOM 828 N ASP A 52 0.235 9.106 -2.541 1.00 12.71 N ATOM 829 CA ASP A 52 0.169 8.297 -3.755 1.00 16.56 C ATOM 830 C ASP A 52 1.314 8.343 -4.763 1.00 15.83 C ATOM 831 O ASP A 52 1.871 7.310 -5.149 1.00 17.21 O ATOM 832 CB ASP A 52 -1.148 8.669 -4.514 1.00 21.05 C ATOM 833 CG ASP A 52 -2.312 8.194 -3.628 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.705 6.993 -3.770 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.830 9.030 -2.888 1.00 28.37 O ATOM 0 H ASP A 52 -0.635 9.626 -2.426 1.00 12.71 H new ATOM 0 HA ASP A 52 0.226 7.280 -3.366 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.206 9.744 -4.687 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.182 8.187 -5.491 1.00 21.05 H new ATOM 840 N GLY A 53 1.768 9.543 -5.216 1.00 15.00 N ATOM 841 CA GLY A 53 2.787 9.801 -6.224 1.00 11.77 C ATOM 842 C GLY A 53 4.231 9.623 -5.836 1.00 11.10 C ATOM 843 O GLY A 53 5.088 9.805 -6.665 1.00 11.25 O ATOM 0 H GLY A 53 1.388 10.414 -4.844 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.588 9.149 -7.074 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.659 10.826 -6.572 1.00 11.77 H new ATOM 847 N ARG A 54 4.456 9.203 -4.588 1.00 8.53 N ATOM 848 CA ARG A 54 5.767 8.933 -4.056 1.00 9.05 C ATOM 849 C ARG A 54 6.116 7.545 -4.136 1.00 8.96 C ATOM 850 O ARG A 54 5.303 6.648 -4.345 1.00 11.60 O ATOM 851 CB ARG A 54 5.925 9.406 -2.625 1.00 7.97 C ATOM 852 CG ARG A 54 5.951 10.924 -2.475 1.00 9.62 C ATOM 853 CD ARG A 54 5.950 11.258 -0.952 1.00 12.20 C ATOM 854 NE ARG A 54 5.887 12.759 -0.919 1.00 18.23 N ATOM 855 CZ ARG A 54 6.922 13.587 -0.900 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.198 13.208 -1.068 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.718 14.870 -0.708 1.00 23.38 N ATOM 0 H ARG A 54 3.706 9.042 -3.916 1.00 8.53 H new ATOM 0 HA ARG A 54 6.450 9.502 -4.686 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.106 9.006 -2.028 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.848 8.994 -2.216 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.837 11.339 -2.956 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.085 11.370 -2.963 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.096 10.810 -0.444 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.847 10.883 -0.459 1.00 12.20 H new ATOM 0 HE ARG A 54 4.959 13.181 -0.910 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.422 12.225 -1.223 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.944 13.903 -1.041 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.770 15.221 -0.575 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.508 15.515 -0.692 1.00 23.38 H new ATOM 871 N THR A 55 7.434 7.255 -3.952 1.00 9.05 N ATOM 872 CA THR A 55 8.051 5.955 -4.150 1.00 9.03 C ATOM 873 C THR A 55 8.431 5.286 -2.901 1.00 8.15 C ATOM 874 O THR A 55 8.627 5.880 -1.838 1.00 5.91 O ATOM 875 CB THR A 55 9.254 5.983 -5.107 1.00 11.15 C ATOM 876 OG1 THR A 55 10.385 6.701 -4.588 1.00 11.95 O ATOM 877 CG2 THR A 55 8.849 6.662 -6.457 1.00 11.71 C ATOM 0 H THR A 55 8.104 7.963 -3.650 1.00 9.05 H new ATOM 0 HA THR A 55 7.260 5.369 -4.618 1.00 9.03 H new ATOM 0 HB THR A 55 9.543 4.941 -5.244 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.135 6.083 -4.463 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.707 6.677 -7.128 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.037 6.099 -6.918 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.519 7.683 -6.266 1.00 11.71 H new ATOM 885 N LEU A 56 8.692 3.922 -2.983 1.00 6.91 N ATOM 886 CA LEU A 56 9.082 3.126 -1.789 1.00 8.29 C ATOM 887 C LEU A 56 10.423 3.447 -1.290 1.00 8.05 C ATOM 888 O LEU A 56 10.640 3.481 -0.084 1.00 10.17 O ATOM 889 CB LEU A 56 9.001 1.642 -2.157 1.00 6.60 C ATOM 890 CG LEU A 56 7.666 1.190 -2.700 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.707 -0.302 -3.036 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.382 1.518 -1.831 1.00 8.64 C ATOM 0 H LEU A 56 8.636 3.383 -3.847 1.00 6.91 H new ATOM 0 HA LEU A 56 8.393 3.373 -0.981 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.770 1.425 -2.898 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.235 1.051 -1.272 1.00 6.60 H new ATOM 0 HG LEU A 56 7.536 1.799 -3.594 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.738 -0.614 -3.426 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.476 -0.485 -3.786 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.936 -0.872 -2.135 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.494 1.138 -2.336 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.474 1.045 -0.853 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.294 2.597 -1.705 1.00 8.64 H new ATOM 904 N SER A 57 11.326 3.775 -2.187 1.00 8.92 N ATOM 905 CA SER A 57 12.611 4.348 -1.844 1.00 9.00 C ATOM 906 C SER A 57 12.602 5.659 -1.074 1.00 9.44 C ATOM 907 O SER A 57 13.371 5.819 -0.124 1.00 10.91 O ATOM 908 CB SER A 57 13.347 4.488 -3.113 1.00 10.32 C ATOM 909 OG SER A 57 12.559 4.977 -4.219 1.00 13.59 O ATOM 0 H SER A 57 11.188 3.650 -3.190 1.00 8.92 H new ATOM 0 HA SER A 57 13.085 3.672 -1.132 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.187 5.165 -2.957 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.765 3.518 -3.383 1.00 10.32 H new ATOM 0 HG SER A 57 13.122 5.041 -5.019 1.00 13.59 H new ATOM 915 N ASP A 58 11.726 6.591 -1.444 1.00 9.11 N ATOM 916 CA ASP A 58 11.494 7.809 -0.664 1.00 7.91 C ATOM 917 C ASP A 58 11.007 7.468 0.722 1.00 9.12 C ATOM 918 O ASP A 58 11.418 8.003 1.756 1.00 8.61 O ATOM 919 CB ASP A 58 10.460 8.686 -1.452 1.00 8.41 C ATOM 920 CG ASP A 58 10.256 10.068 -0.921 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.750 10.397 0.194 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.484 10.914 -1.524 1.00 11.70 O ATOM 0 H ASP A 58 11.158 6.526 -2.289 1.00 9.11 H new ATOM 0 HA ASP A 58 12.420 8.369 -0.534 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.786 8.758 -2.490 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.500 8.171 -1.455 1.00 8.41 H new ATOM 927 N TYR A 59 10.023 6.561 0.873 1.00 7.97 N ATOM 928 CA TYR A 59 9.291 6.336 2.142 1.00 8.45 C ATOM 929 C TYR A 59 9.858 5.216 2.997 1.00 10.98 C ATOM 930 O TYR A 59 9.345 4.751 3.979 1.00 12.95 O ATOM 931 CB TYR A 59 7.771 5.969 1.897 1.00 7.94 C ATOM 932 CG TYR A 59 6.970 7.154 1.699 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.871 8.067 2.795 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.066 7.301 0.636 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.835 9.096 2.810 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.132 8.305 0.597 1.00 6.52 C ATOM 937 CZ TYR A 59 5.000 9.169 1.706 1.00 6.76 C ATOM 938 OH TYR A 59 3.976 10.046 1.734 1.00 7.63 O ATOM 0 H TYR A 59 9.708 5.957 0.114 1.00 7.97 H new ATOM 0 HA TYR A 59 9.399 7.287 2.663 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.687 5.321 1.025 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.388 5.407 2.749 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.567 7.995 3.617 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.107 6.597 -0.182 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.724 9.771 3.646 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.504 8.433 -0.273 1.00 6.52 H new ATOM 0 HH TYR A 59 4.219 10.815 2.290 1.00 7.63 H new ATOM 948 N ASN A 60 10.978 4.647 2.609 1.00 12.38 N ATOM 949 CA ASN A 60 11.809 3.663 3.303 1.00 13.94 C ATOM 950 C ASN A 60 11.146 2.356 3.436 1.00 14.16 C ATOM 951 O ASN A 60 11.205 1.720 4.442 1.00 14.26 O ATOM 952 CB ASN A 60 12.481 4.344 4.535 1.00 19.23 C ATOM 953 CG ASN A 60 13.322 5.591 4.149 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.944 6.739 4.437 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.427 5.330 3.381 1.00 24.09 N ATOM 0 H ASN A 60 11.380 4.882 1.702 1.00 12.38 H new ATOM 0 HA ASN A 60 12.666 3.341 2.711 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.710 4.638 5.247 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.122 3.621 5.039 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.986 6.100 3.014 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.690 4.366 3.177 1.00 24.09 H new ATOM 962 N ILE A 61 10.464 1.956 2.369 1.00 11.08 N ATOM 963 CA ILE A 61 9.665 0.682 2.402 1.00 11.78 C ATOM 964 C ILE A 61 10.592 -0.346 1.776 1.00 13.74 C ATOM 965 O ILE A 61 11.050 -0.139 0.660 1.00 14.60 O ATOM 966 CB ILE A 61 8.384 0.903 1.743 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.558 1.856 2.625 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.558 -0.419 1.551 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.359 2.440 1.876 1.00 11.42 C ATOM 0 H ILE A 61 10.431 2.460 1.483 1.00 11.08 H new ATOM 0 HA ILE A 61 9.373 0.323 3.389 1.00 11.78 H new ATOM 0 HB ILE A 61 8.585 1.313 0.753 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.208 1.320 3.507 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.195 2.667 2.977 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.615 -0.190 1.055 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.128 -1.119 0.940 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.357 -0.867 2.524 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.806 3.106 2.538 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.709 2.999 1.008 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.706 1.631 1.547 1.00 11.42 H new ATOM 981 N GLN A 62 10.948 -1.346 2.554 1.00 13.97 N ATOM 982 CA GLN A 62 11.993 -2.332 2.357 1.00 15.52 C ATOM 983 C GLN A 62 11.407 -3.669 1.975 1.00 13.94 C ATOM 984 O GLN A 62 10.202 -3.911 2.063 1.00 12.15 O ATOM 985 CB GLN A 62 12.969 -2.484 3.535 1.00 19.53 C ATOM 986 CG GLN A 62 13.840 -1.252 3.619 1.00 26.38 C ATOM 987 CD GLN A 62 14.689 -1.431 4.836 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.414 -1.115 5.995 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.903 -1.855 4.596 1.00 32.71 N ATOM 0 H GLN A 62 10.460 -1.506 3.435 1.00 13.97 H new ATOM 0 HA GLN A 62 12.594 -1.945 1.534 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.417 -2.618 4.465 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.586 -3.372 3.399 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.456 -1.148 2.726 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.233 -0.350 3.695 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.171 -2.126 3.650 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.582 -1.914 5.355 1.00 32.71 H new ATOM 998 N LYS A 63 12.218 -4.637 1.593 1.00 11.73 N ATOM 999 CA LYS A 63 11.873 -6.009 1.446 1.00 11.97 C ATOM 1000 C LYS A 63 11.427 -6.703 2.706 1.00 10.41 C ATOM 1001 O LYS A 63 12.067 -6.647 3.754 1.00 9.59 O ATOM 1002 CB LYS A 63 12.963 -6.777 0.651 1.00 13.73 C ATOM 1003 CG LYS A 63 14.114 -7.339 1.495 1.00 16.98 C ATOM 1004 CD LYS A 63 15.298 -7.823 0.707 1.00 20.19 C ATOM 1005 CE LYS A 63 16.357 -8.508 1.601 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.682 -8.574 0.928 1.00 25.97 N ATOM 0 H LYS A 63 13.196 -4.458 1.366 1.00 11.73 H new ATOM 0 HA LYS A 63 10.963 -6.022 0.846 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.488 -7.601 0.118 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.379 -6.108 -0.102 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.448 -6.567 2.188 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.734 -8.165 2.097 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.961 -8.524 -0.056 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.754 -6.981 0.187 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.451 -7.960 2.539 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.025 -9.515 1.852 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.368 -9.039 1.556 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.596 -9.118 0.046 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.009 -7.611 0.711 1.00 25.97 H new ATOM 1020 N GLU A 64 10.272 -7.393 2.563 1.00 10.04 N ATOM 1021 CA GLU A 64 9.565 -8.012 3.721 1.00 10.94 C ATOM 1022 C GLU A 64 8.910 -6.994 4.662 1.00 9.74 C ATOM 1023 O GLU A 64 8.567 -7.285 5.757 1.00 9.42 O ATOM 1024 CB GLU A 64 10.391 -8.990 4.557 1.00 18.31 C ATOM 1025 CG GLU A 64 10.751 -10.255 3.817 1.00 24.16 C ATOM 1026 CD GLU A 64 11.568 -11.182 4.691 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.694 -10.718 5.089 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.180 -12.378 4.874 1.00 31.72 O ATOM 0 H GLU A 64 9.808 -7.538 1.666 1.00 10.04 H new ATOM 0 HA GLU A 64 8.792 -8.591 3.215 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.306 -8.495 4.883 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.832 -9.250 5.456 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.842 -10.762 3.493 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.315 -10.006 2.918 1.00 24.16 H new ATOM 1035 N SER A 65 8.703 -5.712 4.259 1.00 6.85 N ATOM 1036 CA SER A 65 8.131 -4.723 5.104 1.00 6.90 C ATOM 1037 C SER A 65 6.603 -4.681 5.038 1.00 4.72 C ATOM 1038 O SER A 65 5.977 -5.067 4.062 1.00 3.91 O ATOM 1039 CB SER A 65 8.769 -3.313 4.894 1.00 7.28 C ATOM 1040 OG SER A 65 8.405 -2.452 5.985 1.00 10.56 O ATOM 0 H SER A 65 8.942 -5.371 3.328 1.00 6.85 H new ATOM 0 HA SER A 65 8.378 -5.031 6.120 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.854 -3.399 4.832 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.429 -2.885 3.951 1.00 7.28 H new ATOM 0 HG SER A 65 7.969 -1.647 5.635 1.00 10.56 H new ATOM 1046 N THR A 66 5.999 -4.302 6.145 1.00 4.48 N ATOM 1047 CA THR A 66 4.586 -4.466 6.348 1.00 3.80 C ATOM 1048 C THR A 66 3.853 -3.242 6.286 1.00 4.60 C ATOM 1049 O THR A 66 3.999 -2.392 7.105 1.00 5.33 O ATOM 1050 CB THR A 66 4.247 -4.983 7.769 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.922 -6.212 7.942 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.777 -5.297 7.979 1.00 3.40 C ATOM 0 H THR A 66 6.484 -3.869 6.931 1.00 4.48 H new ATOM 0 HA THR A 66 4.313 -5.159 5.552 1.00 3.80 H new ATOM 0 HB THR A 66 4.535 -4.195 8.465 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.730 -6.568 8.835 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.623 -5.653 8.998 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.186 -4.396 7.816 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.465 -6.068 7.274 1.00 3.40 H new ATOM 1060 N LEU A 67 2.945 -3.158 5.244 1.00 4.17 N ATOM 1061 CA LEU A 67 1.970 -2.051 5.130 1.00 3.85 C ATOM 1062 C LEU A 67 0.615 -2.442 5.623 1.00 3.80 C ATOM 1063 O LEU A 67 0.230 -3.595 5.699 1.00 5.54 O ATOM 1064 CB LEU A 67 1.761 -1.669 3.629 1.00 7.18 C ATOM 1065 CG LEU A 67 3.007 -1.394 2.876 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.704 -1.096 1.459 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.884 -0.254 3.491 1.00 11.66 C ATOM 0 H LEU A 67 2.885 -3.844 4.492 1.00 4.17 H new ATOM 0 HA LEU A 67 2.378 -1.232 5.722 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.226 -2.479 3.134 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.122 -0.788 3.579 1.00 7.18 H new ATOM 0 HG LEU A 67 3.601 -2.305 2.945 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.632 -0.897 0.923 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.200 -1.950 1.007 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.057 -0.221 1.402 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.777 -0.114 2.882 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.311 0.673 3.514 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.175 -0.526 4.506 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.234 -1.422 6.012 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.647 -1.678 6.394 1.00 4.17 C ATOM 1081 C HIS A 68 -2.514 -0.986 5.428 1.00 5.32 C ATOM 1082 O HIS A 68 -2.124 0.071 4.923 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.846 -1.158 7.854 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.446 -2.087 8.931 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.784 -1.839 10.242 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.586 -3.134 8.925 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.145 -2.832 10.979 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.406 -3.602 10.188 1.00 16.30 N ATOM 0 H HIS A 68 0.043 -0.442 6.063 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.901 -2.738 6.372 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.280 -0.233 7.970 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.898 -0.907 7.989 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.112 -3.539 8.043 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.237 -2.959 12.048 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.179 -4.387 10.472 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.643 -1.564 5.060 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.480 -1.191 3.951 1.00 3.97 C ATOM 1098 C LEU A 69 -5.864 -0.912 4.527 1.00 5.07 C ATOM 1099 O LEU A 69 -6.517 -1.662 5.244 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.525 -2.371 2.946 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.727 -2.577 1.939 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.640 -1.510 0.820 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.741 -4.027 1.386 1.00 9.96 C ATOM 0 H LEU A 69 -4.020 -2.363 5.570 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.107 -0.312 3.425 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.620 -2.303 2.343 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.449 -3.286 3.534 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.676 -2.442 2.459 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.466 -1.646 0.122 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.698 -0.515 1.261 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.694 -1.617 0.288 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.576 -4.145 0.696 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.806 -4.226 0.862 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.850 -4.730 2.212 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.362 0.306 4.247 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.640 0.860 4.756 1.00 6.26 C ATOM 1117 C VAL A 70 -8.309 1.642 3.670 1.00 9.22 C ATOM 1118 O VAL A 70 -7.968 1.734 2.503 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.399 1.818 5.938 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.726 1.074 7.247 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.996 2.422 6.007 1.00 8.54 C ATOM 0 H VAL A 70 -5.871 0.960 3.638 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.259 0.024 5.083 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.059 2.672 5.785 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.560 1.739 8.095 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.768 0.756 7.234 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.081 0.200 7.340 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.926 3.081 6.872 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.260 1.623 6.099 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.801 2.993 5.099 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.537 2.125 4.012 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.483 2.695 3.057 1.00 16.06 C ATOM 1133 C LEU A 71 -10.718 4.197 3.270 1.00 18.09 C ATOM 1134 O LEU A 71 -10.685 4.684 4.380 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.883 1.967 2.958 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.861 0.555 2.324 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.299 0.052 2.018 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.991 0.471 1.051 1.00 19.57 C ATOM 0 H LEU A 71 -9.884 2.121 4.971 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.975 2.529 2.107 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.303 1.889 3.961 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.559 2.595 2.378 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.403 -0.095 3.069 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.250 -0.942 1.574 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.874 0.008 2.943 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.784 0.737 1.322 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.019 -0.545 0.657 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.376 1.162 0.301 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.963 0.737 1.295 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.040 4.924 2.179 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.450 6.301 2.192 1.00 25.83 C ATOM 1152 C ARG A 72 -12.756 6.402 1.512 1.00 27.74 C ATOM 1153 O ARG A 72 -12.872 5.981 0.360 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.425 7.178 1.502 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.720 8.723 1.489 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.410 9.444 1.036 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.557 10.932 1.254 1.00 35.08 N ATOM 1158 CZ ARG A 72 -8.606 11.826 1.071 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -7.385 11.537 0.585 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.817 13.080 1.371 1.00 35.02 N ATOM 0 H ARG A 72 -11.013 4.530 1.238 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.536 6.647 3.222 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.460 7.019 1.983 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.326 6.841 0.470 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.539 8.952 0.808 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.024 9.064 2.479 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.559 9.065 1.601 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.212 9.237 -0.016 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.466 11.272 1.568 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.150 10.577 0.334 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.694 12.278 0.468 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.720 13.369 1.748 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.079 13.770 1.228 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.746 7.023 2.166 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.149 7.123 1.682 1.00 30.76 C ATOM 1176 C LEU A 73 -15.440 8.593 1.437 1.00 32.18 C ATOM 1177 O LEU A 73 -14.703 9.461 1.973 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.183 6.485 2.633 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.876 4.963 2.991 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.865 4.411 4.063 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.745 4.054 1.770 1.00 29.11 C ATOM 0 H LEU A 73 -13.602 7.482 3.065 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.245 6.548 0.761 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.220 7.065 3.555 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.171 6.549 2.176 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.884 4.955 3.442 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.623 3.371 4.280 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.779 5.001 4.975 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.885 4.475 3.684 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.536 3.035 2.096 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.676 4.070 1.203 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.929 4.407 1.139 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.433 8.893 0.563 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.721 10.307 0.232 1.00 35.33 C ATOM 1195 C ARG A 74 -17.026 11.219 1.415 1.00 36.22 C ATOM 1196 O ARG A 74 -17.520 10.746 2.424 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.860 10.426 -0.825 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.623 9.588 -2.102 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.243 9.746 -2.772 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.325 8.898 -4.026 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.375 8.812 -4.961 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -14.257 9.463 -4.831 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.624 8.093 -6.018 1.00 41.93 N ATOM 0 H ARG A 74 -17.024 8.207 0.093 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.778 10.666 -0.180 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.800 10.115 -0.368 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.973 11.473 -1.106 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.765 8.536 -1.853 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -18.390 9.849 -2.831 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.036 10.789 -3.012 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -15.443 9.405 -2.115 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.173 8.349 -4.167 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -14.099 10.046 -4.009 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.538 9.390 -5.551 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.522 7.618 -6.112 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.921 8.005 -6.752 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.599 12.519 1.270 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.913 13.636 2.205 1.00 36.07 C ATOM 1219 C GLY A 75 -15.692 13.897 3.031 1.00 36.16 C ATOM 1220 O GLY A 75 -15.872 14.516 4.067 1.00 36.26 O ATOM 0 H GLY A 75 -16.019 12.814 0.485 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.197 14.530 1.650 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -17.757 13.375 2.843 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.484 13.458 2.593 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.256 13.760 3.317 1.00 36.19 C ATOM 1226 C GLY A 76 -12.038 13.261 2.509 1.00 36.20 C ATOM 1227 O GLY A 76 -11.889 12.015 2.385 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.280 14.135 1.991 1.00 0.00 O ATOM 0 H GLY A 76 -14.351 12.901 1.749 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.177 14.834 3.486 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.274 13.284 4.297 1.00 36.19 H new TER 1232 GLY A 76