USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 560 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 60 ASN : amide:sc= -6.1! C(o=-6.8!,f=-8.2!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.736 USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -136:sc= -0.0466! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -112:sc= 0.0054 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.7) USER MOD Single : A 5 THR OG1 : rot -77:sc= 0.152! USER MOD Single : A 8 GLN : amide:sc= -0.361 X(o=-0.36,f=-0.0079) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 22:sc= 0.909 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -3.58! C(o=-3.6!,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.48) USER MOD Single : A 53 ASN : amide:sc= -0.0631 K(o=-0.063,f=-0.81) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00648) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -20.448 -30.120 -2.277 1.00 0.00 N ATOM 2 CA MET A 0 -19.730 -28.916 -2.663 1.00 0.00 C ATOM 3 C MET A 0 -19.442 -28.036 -1.445 1.00 0.00 C ATOM 4 O MET A 0 -19.852 -28.358 -0.331 1.00 0.00 O ATOM 5 CB MET A 0 -20.560 -28.129 -3.678 1.00 0.00 C ATOM 6 CG MET A 0 -19.850 -28.059 -5.031 1.00 0.00 C ATOM 7 SD MET A 0 -20.068 -29.595 -5.915 1.00 0.00 S ATOM 8 CE MET A 0 -18.401 -29.855 -6.500 1.00 0.00 C ATOM 0 H1 MET A 0 -19.834 -30.948 -2.410 1.00 0.00 H new ATOM 0 H2 MET A 0 -20.726 -30.053 -1.277 1.00 0.00 H new ATOM 0 H3 MET A 0 -21.299 -30.221 -2.867 1.00 0.00 H new ATOM 0 HA MET A 0 -18.780 -29.209 -3.109 1.00 0.00 H new ATOM 0 HB2 MET A 0 -21.535 -28.600 -3.799 1.00 0.00 H new ATOM 0 HB3 MET A 0 -20.738 -27.121 -3.304 1.00 0.00 H new ATOM 0 HG2 MET A 0 -20.249 -27.232 -5.618 1.00 0.00 H new ATOM 0 HG3 MET A 0 -18.788 -27.862 -4.884 1.00 0.00 H new ATOM 0 HE1 MET A 0 -18.358 -30.779 -7.076 1.00 0.00 H new ATOM 0 HE2 MET A 0 -18.103 -29.019 -7.132 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.724 -29.926 -5.649 1.00 0.00 H new ATOM 18 N ALA A 1 -18.740 -26.942 -1.699 1.00 0.00 N ATOM 19 CA ALA A 1 -18.393 -26.012 -0.637 1.00 0.00 C ATOM 20 C ALA A 1 -17.793 -24.745 -1.250 1.00 0.00 C ATOM 21 O ALA A 1 -16.850 -24.818 -2.036 1.00 0.00 O ATOM 22 CB ALA A 1 -17.438 -26.693 0.346 1.00 0.00 C ATOM 0 H ALA A 1 -18.402 -26.678 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.282 -25.719 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.178 -25.996 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.922 -27.570 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.533 -26.999 -0.179 1.00 0.00 H new ATOM 28 N ASP A 2 -18.365 -23.613 -0.867 1.00 0.00 N ATOM 29 CA ASP A 2 -17.898 -22.332 -1.369 1.00 0.00 C ATOM 30 C ASP A 2 -18.505 -21.207 -0.528 1.00 0.00 C ATOM 31 O ASP A 2 -19.634 -21.322 -0.053 1.00 0.00 O ATOM 32 CB ASP A 2 -18.329 -22.120 -2.822 1.00 0.00 C ATOM 33 CG ASP A 2 -17.662 -20.937 -3.528 1.00 0.00 C ATOM 34 OD1 ASP A 2 -16.461 -20.720 -3.260 1.00 0.00 O ATOM 35 OD2 ASP A 2 -18.369 -20.278 -4.320 1.00 0.00 O ATOM 0 H ASP A 2 -19.147 -23.556 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.810 -22.323 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.114 -23.028 -3.385 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -19.409 -21.977 -2.848 1.00 0.00 H new ATOM 40 N GLN A 3 -17.728 -20.146 -0.368 1.00 0.00 N ATOM 41 CA GLN A 3 -18.175 -19.001 0.408 1.00 0.00 C ATOM 42 C GLN A 3 -17.430 -17.739 -0.031 1.00 0.00 C ATOM 43 O GLN A 3 -16.202 -17.689 0.021 1.00 0.00 O ATOM 44 CB GLN A 3 -17.995 -19.252 1.906 1.00 0.00 C ATOM 45 CG GLN A 3 -18.752 -18.209 2.731 1.00 0.00 C ATOM 46 CD GLN A 3 -20.264 -18.430 2.640 1.00 0.00 C ATOM 47 OE1 GLN A 3 -20.742 -19.413 2.099 1.00 0.00 O ATOM 48 NE2 GLN A 3 -20.986 -17.463 3.199 1.00 0.00 N ATOM 0 H GLN A 3 -16.792 -20.055 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.239 -18.853 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.354 -20.250 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.935 -19.222 2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.435 -18.264 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -18.505 -17.209 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -20.521 -16.667 3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -22.005 -17.518 3.191 1.00 0.00 H new ATOM 57 N LEU A 4 -18.204 -16.750 -0.453 1.00 0.00 N ATOM 58 CA LEU A 4 -17.633 -15.491 -0.900 1.00 0.00 C ATOM 59 C LEU A 4 -17.753 -14.455 0.220 1.00 0.00 C ATOM 60 O LEU A 4 -17.816 -14.811 1.395 1.00 0.00 O ATOM 61 CB LEU A 4 -18.273 -15.050 -2.217 1.00 0.00 C ATOM 62 CG LEU A 4 -19.789 -14.845 -2.190 1.00 0.00 C ATOM 63 CD1 LEU A 4 -20.153 -13.401 -2.541 1.00 0.00 C ATOM 64 CD2 LEU A 4 -20.495 -15.852 -3.102 1.00 0.00 C ATOM 0 H LEU A 4 -19.222 -16.795 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.571 -15.609 -1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.806 -14.117 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.040 -15.795 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.141 -15.028 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.236 -13.282 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.696 -12.725 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.786 -13.166 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.571 -15.685 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.143 -15.724 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.273 -16.865 -2.766 1.00 0.00 H new ATOM 76 N THR A 5 -17.781 -13.194 -0.185 1.00 0.00 N ATOM 77 CA THR A 5 -17.893 -12.104 0.769 1.00 0.00 C ATOM 78 C THR A 5 -16.624 -12.007 1.619 1.00 0.00 C ATOM 79 O THR A 5 -15.531 -12.311 1.145 1.00 0.00 O ATOM 80 CB THR A 5 -19.162 -12.327 1.595 1.00 0.00 C ATOM 81 OG1 THR A 5 -18.718 -13.090 2.713 1.00 0.00 O ATOM 82 CG2 THR A 5 -20.165 -13.243 0.891 1.00 0.00 C ATOM 0 H THR A 5 -17.728 -12.903 -1.161 1.00 0.00 H new ATOM 0 HA THR A 5 -17.982 -11.143 0.263 1.00 0.00 H new ATOM 0 HB THR A 5 -19.633 -11.367 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.579 -14.021 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 5 -21.047 -13.368 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.458 -12.799 -0.060 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.706 -14.215 0.712 1.00 0.00 H new ATOM 90 N GLU A 6 -16.812 -11.582 2.859 1.00 0.00 N ATOM 91 CA GLU A 6 -15.697 -11.441 3.780 1.00 0.00 C ATOM 92 C GLU A 6 -14.654 -12.531 3.520 1.00 0.00 C ATOM 93 O GLU A 6 -13.474 -12.234 3.337 1.00 0.00 O ATOM 94 CB GLU A 6 -16.176 -11.476 5.232 1.00 0.00 C ATOM 95 CG GLU A 6 -16.976 -10.218 5.576 1.00 0.00 C ATOM 96 CD GLU A 6 -17.309 -10.171 7.068 1.00 0.00 C ATOM 97 OE1 GLU A 6 -16.386 -9.849 7.847 1.00 0.00 O ATOM 98 OE2 GLU A 6 -18.481 -10.458 7.397 1.00 0.00 O ATOM 0 H GLU A 6 -17.721 -11.330 3.248 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.231 -10.470 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.794 -12.360 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.318 -11.560 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.404 -9.332 5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.897 -10.198 4.993 1.00 0.00 H new ATOM 105 N GLU A 7 -15.127 -13.768 3.513 1.00 0.00 N ATOM 106 CA GLU A 7 -14.250 -14.903 3.279 1.00 0.00 C ATOM 107 C GLU A 7 -13.196 -14.551 2.228 1.00 0.00 C ATOM 108 O GLU A 7 -12.027 -14.907 2.373 1.00 0.00 O ATOM 109 CB GLU A 7 -15.051 -16.138 2.860 1.00 0.00 C ATOM 110 CG GLU A 7 -15.760 -16.765 4.062 1.00 0.00 C ATOM 111 CD GLU A 7 -15.174 -18.139 4.389 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.102 -18.963 3.451 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.810 -18.336 5.568 1.00 0.00 O ATOM 0 H GLU A 7 -16.106 -14.010 3.666 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.739 -15.141 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.786 -15.860 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.385 -16.870 2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.664 -16.110 4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.825 -16.861 3.851 1.00 0.00 H new ATOM 120 N GLN A 8 -13.646 -13.857 1.193 1.00 0.00 N ATOM 121 CA GLN A 8 -12.756 -13.453 0.118 1.00 0.00 C ATOM 122 C GLN A 8 -11.725 -12.446 0.633 1.00 0.00 C ATOM 123 O GLN A 8 -10.522 -12.648 0.476 1.00 0.00 O ATOM 124 CB GLN A 8 -13.544 -12.877 -1.059 1.00 0.00 C ATOM 125 CG GLN A 8 -13.159 -13.570 -2.368 1.00 0.00 C ATOM 126 CD GLN A 8 -14.172 -14.657 -2.731 1.00 0.00 C ATOM 127 OE1 GLN A 8 -14.915 -14.553 -3.693 1.00 0.00 O ATOM 128 NE2 GLN A 8 -14.161 -15.703 -1.910 1.00 0.00 N ATOM 0 H GLN A 8 -14.616 -13.564 1.076 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.226 -14.336 -0.240 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.612 -12.998 -0.880 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.353 -11.807 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.106 -12.835 -3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.166 -14.010 -2.272 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.513 -15.727 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.801 -16.482 -2.068 1.00 0.00 H new ATOM 137 N ILE A 9 -12.234 -11.382 1.237 1.00 0.00 N ATOM 138 CA ILE A 9 -11.373 -10.343 1.776 1.00 0.00 C ATOM 139 C ILE A 9 -10.262 -10.988 2.607 1.00 0.00 C ATOM 140 O ILE A 9 -9.087 -10.666 2.435 1.00 0.00 O ATOM 141 CB ILE A 9 -12.197 -9.310 2.547 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.770 -7.887 2.185 1.00 0.00 C ATOM 143 CG2 ILE A 9 -12.124 -9.565 4.054 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.557 -7.367 0.980 1.00 0.00 C ATOM 0 H ILE A 9 -13.232 -11.217 1.365 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.890 -9.792 0.969 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.241 -9.417 2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.928 -7.228 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.703 -7.869 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.718 -8.817 4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.515 -10.558 4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.087 -9.502 4.384 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.233 -6.353 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.378 -8.014 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.621 -7.363 1.215 1.00 0.00 H new ATOM 156 N ALA A 10 -10.672 -11.887 3.489 1.00 0.00 N ATOM 157 CA ALA A 10 -9.726 -12.580 4.347 1.00 0.00 C ATOM 158 C ALA A 10 -8.451 -12.879 3.556 1.00 0.00 C ATOM 159 O ALA A 10 -7.348 -12.782 4.090 1.00 0.00 O ATOM 160 CB ALA A 10 -10.376 -13.847 4.906 1.00 0.00 C ATOM 0 H ALA A 10 -11.647 -12.152 3.628 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.449 -11.955 5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.666 -14.367 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.260 -13.578 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.666 -14.501 4.083 1.00 0.00 H new ATOM 166 N GLU A 11 -8.646 -13.236 2.295 1.00 0.00 N ATOM 167 CA GLU A 11 -7.525 -13.550 1.425 1.00 0.00 C ATOM 168 C GLU A 11 -6.709 -12.289 1.134 1.00 0.00 C ATOM 169 O GLU A 11 -5.494 -12.274 1.323 1.00 0.00 O ATOM 170 CB GLU A 11 -8.005 -14.204 0.127 1.00 0.00 C ATOM 171 CG GLU A 11 -8.739 -15.516 0.413 1.00 0.00 C ATOM 172 CD GLU A 11 -9.251 -16.151 -0.881 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.401 -16.680 -1.629 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.482 -16.092 -1.094 1.00 0.00 O ATOM 0 H GLU A 11 -9.563 -13.315 1.855 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.882 -14.265 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.667 -13.521 -0.405 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.153 -14.395 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.068 -16.209 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.575 -15.330 1.087 1.00 0.00 H new ATOM 181 N PHE A 12 -7.410 -11.261 0.679 1.00 0.00 N ATOM 182 CA PHE A 12 -6.766 -9.998 0.360 1.00 0.00 C ATOM 183 C PHE A 12 -5.778 -9.595 1.456 1.00 0.00 C ATOM 184 O PHE A 12 -4.810 -8.883 1.193 1.00 0.00 O ATOM 185 CB PHE A 12 -7.870 -8.943 0.272 1.00 0.00 C ATOM 186 CG PHE A 12 -8.607 -8.923 -1.069 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.586 -9.833 -1.321 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.282 -7.995 -2.009 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.269 -9.814 -2.566 1.00 0.00 C ATOM 190 CE2 PHE A 12 -8.965 -7.977 -3.254 1.00 0.00 C ATOM 191 CZ PHE A 12 -9.944 -8.887 -3.506 1.00 0.00 C ATOM 0 H PHE A 12 -8.418 -11.277 0.524 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.213 -10.087 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.592 -9.120 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.434 -7.960 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -9.844 -10.570 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.505 -7.272 -1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.047 -10.536 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.707 -7.241 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.463 -8.873 -4.453 1.00 0.00 H new ATOM 201 N LYS A 13 -6.055 -10.068 2.662 1.00 0.00 N ATOM 202 CA LYS A 13 -5.203 -9.766 3.799 1.00 0.00 C ATOM 203 C LYS A 13 -3.737 -9.911 3.385 1.00 0.00 C ATOM 204 O LYS A 13 -2.935 -9.003 3.598 1.00 0.00 O ATOM 205 CB LYS A 13 -5.589 -10.627 5.003 1.00 0.00 C ATOM 206 CG LYS A 13 -6.982 -10.257 5.518 1.00 0.00 C ATOM 207 CD LYS A 13 -7.194 -10.771 6.943 1.00 0.00 C ATOM 208 CE LYS A 13 -8.340 -10.024 7.630 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.893 -9.470 8.928 1.00 0.00 N ATOM 0 H LYS A 13 -6.858 -10.659 2.876 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.345 -8.733 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.569 -11.680 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.856 -10.495 5.799 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.106 -9.174 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.741 -10.678 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.413 -11.838 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.277 -10.646 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.694 -9.219 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.181 -10.700 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.682 -8.966 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.577 -10.245 9.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.106 -8.809 8.771 1.00 0.00 H new ATOM 223 N GLU A 14 -3.432 -11.059 2.799 1.00 0.00 N ATOM 224 CA GLU A 14 -2.076 -11.335 2.353 1.00 0.00 C ATOM 225 C GLU A 14 -1.621 -10.271 1.352 1.00 0.00 C ATOM 226 O GLU A 14 -0.480 -9.813 1.404 1.00 0.00 O ATOM 227 CB GLU A 14 -1.972 -12.737 1.749 1.00 0.00 C ATOM 228 CG GLU A 14 -2.302 -13.808 2.790 1.00 0.00 C ATOM 229 CD GLU A 14 -1.457 -15.064 2.571 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.333 -15.095 3.118 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.953 -15.966 1.861 1.00 0.00 O ATOM 0 H GLU A 14 -4.100 -11.809 2.622 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.414 -11.299 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.654 -12.824 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.965 -12.897 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.123 -13.415 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.360 -14.063 2.732 1.00 0.00 H new ATOM 238 N ALA A 15 -2.535 -9.909 0.465 1.00 0.00 N ATOM 239 CA ALA A 15 -2.242 -8.908 -0.546 1.00 0.00 C ATOM 240 C ALA A 15 -1.691 -7.651 0.131 1.00 0.00 C ATOM 241 O ALA A 15 -0.614 -7.173 -0.222 1.00 0.00 O ATOM 242 CB ALA A 15 -3.502 -8.623 -1.365 1.00 0.00 C ATOM 0 H ALA A 15 -3.480 -10.291 0.425 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.481 -9.272 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.281 -7.872 -2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.836 -9.540 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.288 -8.253 -0.707 1.00 0.00 H new ATOM 248 N PHE A 16 -2.454 -7.153 1.092 1.00 0.00 N ATOM 249 CA PHE A 16 -2.056 -5.961 1.822 1.00 0.00 C ATOM 250 C PHE A 16 -0.648 -6.118 2.400 1.00 0.00 C ATOM 251 O PHE A 16 0.114 -5.153 2.459 1.00 0.00 O ATOM 252 CB PHE A 16 -3.050 -5.788 2.972 1.00 0.00 C ATOM 253 CG PHE A 16 -2.854 -4.500 3.775 1.00 0.00 C ATOM 254 CD1 PHE A 16 -2.982 -3.292 3.165 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.553 -4.565 5.100 1.00 0.00 C ATOM 256 CE1 PHE A 16 -2.800 -2.097 3.910 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.371 -3.370 5.845 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.499 -2.161 5.235 1.00 0.00 C ATOM 0 H PHE A 16 -3.346 -7.553 1.383 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.052 -5.099 1.155 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.063 -5.802 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.963 -6.641 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.222 -3.241 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.453 -5.525 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.901 -1.137 3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.131 -3.421 6.897 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.362 -1.252 5.802 1.00 0.00 H new ATOM 268 N SER A 17 -0.345 -7.339 2.813 1.00 0.00 N ATOM 269 CA SER A 17 0.958 -7.634 3.385 1.00 0.00 C ATOM 270 C SER A 17 2.060 -7.298 2.378 1.00 0.00 C ATOM 271 O SER A 17 3.017 -6.601 2.709 1.00 0.00 O ATOM 272 CB SER A 17 1.055 -9.102 3.807 1.00 0.00 C ATOM 273 OG SER A 17 -0.040 -9.493 4.631 1.00 0.00 O ATOM 0 H SER A 17 -0.979 -8.136 2.763 1.00 0.00 H new ATOM 0 HA SER A 17 1.088 -7.018 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.084 -9.733 2.919 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.989 -9.264 4.344 1.00 0.00 H new ATOM 0 HG SER A 17 0.057 -10.436 4.878 1.00 0.00 H new ATOM 279 N LEU A 18 1.887 -7.810 1.168 1.00 0.00 N ATOM 280 CA LEU A 18 2.855 -7.573 0.110 1.00 0.00 C ATOM 281 C LEU A 18 3.419 -6.157 0.249 1.00 0.00 C ATOM 282 O LEU A 18 4.634 -5.971 0.291 1.00 0.00 O ATOM 283 CB LEU A 18 2.233 -7.855 -1.259 1.00 0.00 C ATOM 284 CG LEU A 18 2.849 -9.010 -2.050 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.986 -10.269 -1.945 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.098 -8.607 -3.505 1.00 0.00 C ATOM 0 H LEU A 18 1.091 -8.388 0.897 1.00 0.00 H new ATOM 0 HA LEU A 18 3.695 -8.262 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.172 -8.062 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.304 -6.950 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 18 3.818 -9.246 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.447 -11.075 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.903 -10.567 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.993 -10.064 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.536 -9.446 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.153 -8.328 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.782 -7.759 -3.536 1.00 0.00 H new ATOM 298 N PHE A 19 2.510 -5.196 0.316 1.00 0.00 N ATOM 299 CA PHE A 19 2.901 -3.803 0.449 1.00 0.00 C ATOM 300 C PHE A 19 3.346 -3.493 1.880 1.00 0.00 C ATOM 301 O PHE A 19 4.386 -2.870 2.089 1.00 0.00 O ATOM 302 CB PHE A 19 1.670 -2.959 0.116 1.00 0.00 C ATOM 303 CG PHE A 19 1.338 -2.904 -1.376 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.696 -3.946 -1.969 1.00 0.00 C ATOM 305 CD2 PHE A 19 1.686 -1.813 -2.111 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.388 -3.895 -3.354 1.00 0.00 C ATOM 307 CE2 PHE A 19 1.379 -1.762 -3.496 1.00 0.00 C ATOM 308 CZ PHE A 19 0.736 -2.804 -4.089 1.00 0.00 C ATOM 0 H PHE A 19 1.503 -5.355 0.281 1.00 0.00 H new ATOM 0 HA PHE A 19 3.735 -3.585 -0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.811 -3.360 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.829 -1.944 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.420 -4.812 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.196 -0.985 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.123 -4.722 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.656 -0.896 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.502 -2.765 -5.143 1.00 0.00 H new ATOM 318 N ASP A 20 2.536 -3.942 2.828 1.00 0.00 N ATOM 319 CA ASP A 20 2.833 -3.720 4.233 1.00 0.00 C ATOM 320 C ASP A 20 3.866 -4.748 4.700 1.00 0.00 C ATOM 321 O ASP A 20 3.506 -5.827 5.168 1.00 0.00 O ATOM 322 CB ASP A 20 1.579 -3.886 5.093 1.00 0.00 C ATOM 323 CG ASP A 20 1.833 -3.948 6.601 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.918 -3.484 7.013 1.00 0.00 O ATOM 325 OD2 ASP A 20 0.937 -4.458 7.307 1.00 0.00 O ATOM 0 H ASP A 20 1.674 -4.458 2.651 1.00 0.00 H new ATOM 0 HA ASP A 20 3.213 -2.704 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.903 -3.056 4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.066 -4.798 4.788 1.00 0.00 H new ATOM 330 N LYS A 21 5.130 -4.377 4.556 1.00 0.00 N ATOM 331 CA LYS A 21 6.217 -5.253 4.957 1.00 0.00 C ATOM 332 C LYS A 21 6.204 -5.411 6.479 1.00 0.00 C ATOM 333 O LYS A 21 6.169 -6.529 6.990 1.00 0.00 O ATOM 334 CB LYS A 21 7.549 -4.742 4.403 1.00 0.00 C ATOM 335 CG LYS A 21 7.885 -3.361 4.970 1.00 0.00 C ATOM 336 CD LYS A 21 8.918 -2.646 4.097 1.00 0.00 C ATOM 337 CE LYS A 21 9.967 -1.938 4.957 1.00 0.00 C ATOM 338 NZ LYS A 21 10.833 -1.081 4.117 1.00 0.00 N ATOM 0 H LYS A 21 5.425 -3.481 4.167 1.00 0.00 H new ATOM 0 HA LYS A 21 6.082 -6.247 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.344 -5.445 4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.499 -4.690 3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.978 -2.759 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.270 -3.464 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.406 -3.367 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.418 -1.920 3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.474 -1.332 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.574 -2.676 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.539 -0.608 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.318 -1.667 3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.252 -0.365 3.636 1.00 0.00 H new ATOM 352 N ASP A 22 6.233 -4.275 7.160 1.00 0.00 N ATOM 353 CA ASP A 22 6.225 -4.273 8.613 1.00 0.00 C ATOM 354 C ASP A 22 5.080 -5.156 9.113 1.00 0.00 C ATOM 355 O ASP A 22 5.124 -5.658 10.235 1.00 0.00 O ATOM 356 CB ASP A 22 6.008 -2.861 9.161 1.00 0.00 C ATOM 357 CG ASP A 22 6.774 -1.758 8.428 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.629 -2.120 7.591 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.487 -0.577 8.721 1.00 0.00 O ATOM 0 H ASP A 22 6.262 -3.349 6.732 1.00 0.00 H new ATOM 0 HA ASP A 22 7.189 -4.648 8.956 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.943 -2.632 9.121 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.297 -2.847 10.212 1.00 0.00 H new ATOM 364 N GLY A 23 4.083 -5.318 8.256 1.00 0.00 N ATOM 365 CA GLY A 23 2.928 -6.132 8.598 1.00 0.00 C ATOM 366 C GLY A 23 2.231 -5.596 9.849 1.00 0.00 C ATOM 367 O GLY A 23 1.426 -6.295 10.463 1.00 0.00 O ATOM 0 H GLY A 23 4.051 -4.900 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.227 -6.144 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.242 -7.162 8.765 1.00 0.00 H new ATOM 371 N ASP A 24 2.564 -4.360 10.191 1.00 0.00 N ATOM 372 CA ASP A 24 1.980 -3.723 11.359 1.00 0.00 C ATOM 373 C ASP A 24 0.465 -3.615 11.171 1.00 0.00 C ATOM 374 O ASP A 24 -0.289 -3.668 12.141 1.00 0.00 O ATOM 375 CB ASP A 24 2.534 -2.310 11.550 1.00 0.00 C ATOM 376 CG ASP A 24 2.379 -1.385 10.342 1.00 0.00 C ATOM 377 OD1 ASP A 24 2.876 -1.772 9.262 1.00 0.00 O ATOM 378 OD2 ASP A 24 1.766 -0.311 10.524 1.00 0.00 O ATOM 0 H ASP A 24 3.231 -3.783 9.679 1.00 0.00 H new ATOM 0 HA ASP A 24 2.226 -4.328 12.232 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.035 -1.853 12.405 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.593 -2.382 11.800 1.00 0.00 H new ATOM 383 N GLY A 25 0.066 -3.465 9.917 1.00 0.00 N ATOM 384 CA GLY A 25 -1.345 -3.349 9.590 1.00 0.00 C ATOM 385 C GLY A 25 -1.622 -2.067 8.801 1.00 0.00 C ATOM 386 O GLY A 25 -2.774 -1.748 8.512 1.00 0.00 O ATOM 0 H GLY A 25 0.695 -3.421 9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.659 -4.214 9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.936 -3.351 10.506 1.00 0.00 H new ATOM 390 N THR A 26 -0.545 -1.367 8.476 1.00 0.00 N ATOM 391 CA THR A 26 -0.657 -0.127 7.727 1.00 0.00 C ATOM 392 C THR A 26 0.418 -0.061 6.641 1.00 0.00 C ATOM 393 O THR A 26 1.469 -0.688 6.764 1.00 0.00 O ATOM 394 CB THR A 26 -0.589 1.034 8.721 1.00 0.00 C ATOM 395 OG1 THR A 26 -1.274 2.096 8.062 1.00 0.00 O ATOM 396 CG2 THR A 26 0.834 1.565 8.904 1.00 0.00 C ATOM 0 H THR A 26 0.409 -1.635 8.718 1.00 0.00 H new ATOM 0 HA THR A 26 -1.610 -0.068 7.201 1.00 0.00 H new ATOM 0 HB THR A 26 -0.982 0.710 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.871 1.726 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.826 2.388 9.619 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.475 0.766 9.277 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.216 1.920 7.947 1.00 0.00 H new ATOM 404 N ILE A 27 0.118 0.705 5.601 1.00 0.00 N ATOM 405 CA ILE A 27 1.046 0.861 4.494 1.00 0.00 C ATOM 406 C ILE A 27 1.400 2.341 4.336 1.00 0.00 C ATOM 407 O ILE A 27 0.554 3.147 3.952 1.00 0.00 O ATOM 408 CB ILE A 27 0.477 0.225 3.224 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.217 -1.269 3.428 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.388 0.489 2.023 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.505 -1.870 2.221 1.00 0.00 C ATOM 0 H ILE A 27 -0.755 1.224 5.502 1.00 0.00 H new ATOM 0 HA ILE A 27 1.976 0.331 4.699 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.484 0.693 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.162 -1.788 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.382 -1.418 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.961 0.026 1.133 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.479 1.564 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.374 0.065 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.677 -2.933 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.461 -1.365 2.080 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.108 -1.741 1.329 1.00 0.00 H new ATOM 423 N THR A 28 2.651 2.653 4.639 1.00 0.00 N ATOM 424 CA THR A 28 3.127 4.022 4.535 1.00 0.00 C ATOM 425 C THR A 28 3.557 4.330 3.099 1.00 0.00 C ATOM 426 O THR A 28 3.018 3.762 2.151 1.00 0.00 O ATOM 427 CB THR A 28 4.247 4.213 5.559 1.00 0.00 C ATOM 428 OG1 THR A 28 4.685 5.553 5.350 1.00 0.00 O ATOM 429 CG2 THR A 28 5.481 3.364 5.242 1.00 0.00 C ATOM 0 H THR A 28 3.350 1.981 4.957 1.00 0.00 H new ATOM 0 HA THR A 28 2.334 4.734 4.763 1.00 0.00 H new ATOM 0 HB THR A 28 3.877 3.960 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.665 5.582 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.246 3.537 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.206 2.309 5.238 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.871 3.641 4.262 1.00 0.00 H new ATOM 437 N THR A 29 4.525 5.227 2.985 1.00 0.00 N ATOM 438 CA THR A 29 5.034 5.617 1.681 1.00 0.00 C ATOM 439 C THR A 29 6.148 4.667 1.238 1.00 0.00 C ATOM 440 O THR A 29 6.134 4.169 0.113 1.00 0.00 O ATOM 441 CB THR A 29 5.479 7.078 1.764 1.00 0.00 C ATOM 442 OG1 THR A 29 6.068 7.189 3.057 1.00 0.00 O ATOM 443 CG2 THR A 29 4.297 8.049 1.810 1.00 0.00 C ATOM 0 H THR A 29 4.970 5.695 3.774 1.00 0.00 H new ATOM 0 HA THR A 29 4.261 5.541 0.916 1.00 0.00 H new ATOM 0 HB THR A 29 6.110 7.314 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.386 8.106 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.669 9.072 1.869 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.695 7.933 0.909 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.684 7.835 2.686 1.00 0.00 H new ATOM 451 N LYS A 30 7.087 4.443 2.145 1.00 0.00 N ATOM 452 CA LYS A 30 8.207 3.562 1.862 1.00 0.00 C ATOM 453 C LYS A 30 7.678 2.170 1.511 1.00 0.00 C ATOM 454 O LYS A 30 8.036 1.608 0.476 1.00 0.00 O ATOM 455 CB LYS A 30 9.200 3.566 3.026 1.00 0.00 C ATOM 456 CG LYS A 30 10.384 4.491 2.733 1.00 0.00 C ATOM 457 CD LYS A 30 11.656 3.685 2.464 1.00 0.00 C ATOM 458 CE LYS A 30 12.791 4.126 3.390 1.00 0.00 C ATOM 459 NZ LYS A 30 13.425 5.362 2.881 1.00 0.00 N ATOM 0 H LYS A 30 7.095 4.857 3.077 1.00 0.00 H new ATOM 0 HA LYS A 30 8.764 3.921 0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.697 3.891 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.561 2.553 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.156 5.117 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.545 5.160 3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.455 2.623 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.959 3.813 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.403 4.296 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.535 3.333 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.193 5.647 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.812 5.188 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.716 6.121 2.832 1.00 0.00 H new ATOM 473 N GLU A 31 6.834 1.652 2.392 1.00 0.00 N ATOM 474 CA GLU A 31 6.253 0.337 2.187 1.00 0.00 C ATOM 475 C GLU A 31 5.481 0.296 0.866 1.00 0.00 C ATOM 476 O GLU A 31 5.284 -0.773 0.291 1.00 0.00 O ATOM 477 CB GLU A 31 5.351 -0.052 3.361 1.00 0.00 C ATOM 478 CG GLU A 31 6.145 -0.107 4.667 1.00 0.00 C ATOM 479 CD GLU A 31 5.247 -0.513 5.838 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.651 -1.608 5.742 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.176 0.280 6.801 1.00 0.00 O ATOM 0 H GLU A 31 6.539 2.120 3.249 1.00 0.00 H new ATOM 0 HA GLU A 31 7.062 -0.392 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.539 0.669 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.894 -1.023 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.965 -0.819 4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.591 0.867 4.867 1.00 0.00 H new ATOM 488 N LEU A 32 5.066 1.474 0.424 1.00 0.00 N ATOM 489 CA LEU A 32 4.321 1.587 -0.818 1.00 0.00 C ATOM 490 C LEU A 32 5.302 1.686 -1.989 1.00 0.00 C ATOM 491 O LEU A 32 5.066 1.112 -3.050 1.00 0.00 O ATOM 492 CB LEU A 32 3.331 2.752 -0.745 1.00 0.00 C ATOM 493 CG LEU A 32 2.183 2.720 -1.756 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.879 2.276 -1.092 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.037 4.070 -2.461 1.00 0.00 C ATOM 0 H LEU A 32 5.232 2.359 0.904 1.00 0.00 H new ATOM 0 HA LEU A 32 3.717 0.695 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.905 2.779 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.883 3.682 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 32 2.422 1.981 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.080 2.262 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.005 1.277 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.622 2.972 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.214 4.021 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.832 4.845 -1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.961 4.307 -2.989 1.00 0.00 H new ATOM 507 N GLY A 33 6.381 2.418 -1.755 1.00 0.00 N ATOM 508 CA GLY A 33 7.398 2.599 -2.777 1.00 0.00 C ATOM 509 C GLY A 33 8.354 1.404 -2.816 1.00 0.00 C ATOM 510 O GLY A 33 9.269 1.364 -3.637 1.00 0.00 O ATOM 0 H GLY A 33 6.573 2.893 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.923 2.721 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.959 3.512 -2.579 1.00 0.00 H new ATOM 514 N THR A 34 8.108 0.461 -1.919 1.00 0.00 N ATOM 515 CA THR A 34 8.936 -0.731 -1.842 1.00 0.00 C ATOM 516 C THR A 34 8.479 -1.765 -2.873 1.00 0.00 C ATOM 517 O THR A 34 9.198 -2.054 -3.828 1.00 0.00 O ATOM 518 CB THR A 34 8.889 -1.246 -0.402 1.00 0.00 C ATOM 519 OG1 THR A 34 10.113 -0.794 0.169 1.00 0.00 O ATOM 520 CG2 THR A 34 8.982 -2.772 -0.322 1.00 0.00 C ATOM 0 H THR A 34 7.348 0.498 -1.240 1.00 0.00 H new ATOM 0 HA THR A 34 9.974 -0.509 -2.089 1.00 0.00 H new ATOM 0 HB THR A 34 7.966 -0.913 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.164 -1.083 1.104 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.944 -3.085 0.722 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.147 -3.216 -0.864 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.921 -3.103 -0.766 1.00 0.00 H new ATOM 528 N VAL A 35 7.287 -2.296 -2.643 1.00 0.00 N ATOM 529 CA VAL A 35 6.726 -3.292 -3.540 1.00 0.00 C ATOM 530 C VAL A 35 6.957 -2.856 -4.989 1.00 0.00 C ATOM 531 O VAL A 35 7.036 -3.692 -5.887 1.00 0.00 O ATOM 532 CB VAL A 35 5.248 -3.518 -3.213 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.457 -3.881 -4.471 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.084 -4.589 -2.134 1.00 0.00 C ATOM 0 H VAL A 35 6.694 -2.055 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 35 7.226 -4.251 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 35 4.844 -2.584 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.410 -4.036 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.534 -3.071 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.862 -4.795 -4.904 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.025 -4.731 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.512 -5.528 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.598 -4.273 -1.226 1.00 0.00 H new ATOM 544 N MET A 36 7.060 -1.547 -5.170 1.00 0.00 N ATOM 545 CA MET A 36 7.281 -0.990 -6.494 1.00 0.00 C ATOM 546 C MET A 36 8.665 -1.369 -7.024 1.00 0.00 C ATOM 547 O MET A 36 8.805 -1.760 -8.182 1.00 0.00 O ATOM 548 CB MET A 36 7.156 0.533 -6.434 1.00 0.00 C ATOM 549 CG MET A 36 5.743 0.952 -6.025 1.00 0.00 C ATOM 550 SD MET A 36 4.997 1.928 -7.320 1.00 0.00 S ATOM 551 CE MET A 36 3.299 1.400 -7.168 1.00 0.00 C ATOM 0 H MET A 36 6.995 -0.857 -4.422 1.00 0.00 H new ATOM 0 HA MET A 36 6.530 -1.398 -7.170 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.878 0.933 -5.722 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.398 0.960 -7.407 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.135 0.069 -5.828 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.779 1.527 -5.100 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.690 1.917 -7.909 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.236 0.324 -7.333 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.933 1.636 -6.169 1.00 0.00 H new ATOM 561 N ARG A 37 9.653 -1.241 -6.151 1.00 0.00 N ATOM 562 CA ARG A 37 11.022 -1.565 -6.517 1.00 0.00 C ATOM 563 C ARG A 37 11.098 -2.984 -7.084 1.00 0.00 C ATOM 564 O ARG A 37 11.988 -3.293 -7.875 1.00 0.00 O ATOM 565 CB ARG A 37 11.955 -1.455 -5.309 1.00 0.00 C ATOM 566 CG ARG A 37 12.307 0.006 -5.019 1.00 0.00 C ATOM 567 CD ARG A 37 12.389 0.261 -3.513 1.00 0.00 C ATOM 568 NE ARG A 37 11.722 1.539 -3.179 1.00 0.00 N ATOM 569 CZ ARG A 37 12.302 2.741 -3.295 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.563 2.837 -3.738 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.621 3.848 -2.969 1.00 0.00 N ATOM 0 H ARG A 37 9.533 -0.917 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 37 11.341 -0.850 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.478 -1.898 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.867 -2.022 -5.496 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.260 0.254 -5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.556 0.660 -5.462 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.916 -0.558 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.432 0.292 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 37 10.761 1.502 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.082 1.995 -3.987 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.004 3.752 -3.826 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.661 3.776 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.063 4.763 -3.057 1.00 0.00 H new ATOM 585 N SER A 38 10.152 -3.808 -6.659 1.00 0.00 N ATOM 586 CA SER A 38 10.101 -5.187 -7.115 1.00 0.00 C ATOM 587 C SER A 38 9.478 -5.254 -8.510 1.00 0.00 C ATOM 588 O SER A 38 9.368 -6.331 -9.094 1.00 0.00 O ATOM 589 CB SER A 38 9.310 -6.061 -6.138 1.00 0.00 C ATOM 590 OG SER A 38 9.818 -7.391 -6.082 1.00 0.00 O ATOM 0 H SER A 38 9.415 -3.548 -6.004 1.00 0.00 H new ATOM 0 HA SER A 38 11.120 -5.570 -7.161 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.346 -5.617 -5.143 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.263 -6.085 -6.439 1.00 0.00 H new ATOM 0 HG SER A 38 9.288 -7.917 -5.447 1.00 0.00 H new ATOM 596 N LEU A 39 9.087 -4.088 -9.005 1.00 0.00 N ATOM 597 CA LEU A 39 8.478 -4.001 -10.322 1.00 0.00 C ATOM 598 C LEU A 39 9.308 -3.065 -11.202 1.00 0.00 C ATOM 599 O LEU A 39 8.841 -2.611 -12.245 1.00 0.00 O ATOM 600 CB LEU A 39 7.008 -3.593 -10.206 1.00 0.00 C ATOM 601 CG LEU A 39 6.001 -4.505 -10.909 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.291 -5.416 -9.906 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.011 -3.689 -11.743 1.00 0.00 C ATOM 0 H LEU A 39 9.180 -3.197 -8.518 1.00 0.00 H new ATOM 0 HA LEU A 39 8.477 -4.977 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.747 -3.544 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.898 -2.586 -10.608 1.00 0.00 H new ATOM 0 HG LEU A 39 6.548 -5.150 -11.597 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.581 -6.054 -10.433 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.026 -6.037 -9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.759 -4.807 -9.175 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.306 -4.362 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.467 -3.003 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.554 -3.120 -12.498 1.00 0.00 H new ATOM 615 N GLY A 40 10.526 -2.805 -10.749 1.00 0.00 N ATOM 616 CA GLY A 40 11.426 -1.931 -11.483 1.00 0.00 C ATOM 617 C GLY A 40 10.957 -0.476 -11.412 1.00 0.00 C ATOM 618 O GLY A 40 11.358 0.349 -12.230 1.00 0.00 O ATOM 0 H GLY A 40 10.910 -3.184 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.433 -2.013 -11.073 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.479 -2.249 -12.524 1.00 0.00 H new ATOM 622 N GLN A 41 10.115 -0.207 -10.425 1.00 0.00 N ATOM 623 CA GLN A 41 9.587 1.133 -10.236 1.00 0.00 C ATOM 624 C GLN A 41 10.248 1.799 -9.028 1.00 0.00 C ATOM 625 O GLN A 41 11.044 1.173 -8.328 1.00 0.00 O ATOM 626 CB GLN A 41 8.065 1.107 -10.084 1.00 0.00 C ATOM 627 CG GLN A 41 7.379 0.996 -11.447 1.00 0.00 C ATOM 628 CD GLN A 41 6.221 1.989 -11.561 1.00 0.00 C ATOM 629 OE1 GLN A 41 6.341 3.059 -12.135 1.00 0.00 O ATOM 630 NE2 GLN A 41 5.096 1.577 -10.983 1.00 0.00 N ATOM 0 H GLN A 41 9.785 -0.895 -9.748 1.00 0.00 H new ATOM 0 HA GLN A 41 9.820 1.722 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.773 0.265 -9.456 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.731 2.013 -9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.104 1.185 -12.239 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.008 -0.019 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.064 0.669 -10.519 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.266 2.169 -11.004 1.00 0.00 H new ATOM 639 N ASN A 42 9.894 3.058 -8.818 1.00 0.00 N ATOM 640 CA ASN A 42 10.443 3.815 -7.706 1.00 0.00 C ATOM 641 C ASN A 42 9.924 5.253 -7.768 1.00 0.00 C ATOM 642 O ASN A 42 10.673 6.174 -8.091 1.00 0.00 O ATOM 643 CB ASN A 42 11.971 3.860 -7.771 1.00 0.00 C ATOM 644 CG ASN A 42 12.568 4.202 -6.405 1.00 0.00 C ATOM 645 OD1 ASN A 42 11.873 4.336 -5.411 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.891 4.334 -6.411 1.00 0.00 N ATOM 0 H ASN A 42 9.233 3.573 -9.400 1.00 0.00 H new ATOM 0 HA ASN A 42 10.136 3.326 -6.781 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.353 2.896 -8.108 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.286 4.602 -8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.385 4.561 -5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.412 4.208 -7.279 1.00 0.00 H new ATOM 653 N PRO A 43 8.612 5.405 -7.445 1.00 0.00 N ATOM 654 CA PRO A 43 7.984 6.715 -7.461 1.00 0.00 C ATOM 655 C PRO A 43 8.414 7.544 -6.249 1.00 0.00 C ATOM 656 O PRO A 43 8.396 7.055 -5.120 1.00 0.00 O ATOM 657 CB PRO A 43 6.490 6.436 -7.490 1.00 0.00 C ATOM 658 CG PRO A 43 6.326 4.999 -7.022 1.00 0.00 C ATOM 659 CD PRO A 43 7.694 4.337 -7.058 1.00 0.00 C ATOM 0 HA PRO A 43 8.280 7.313 -8.323 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.951 7.123 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.087 6.568 -8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.915 4.971 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.627 4.465 -7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.958 3.920 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.718 3.515 -7.774 1.00 0.00 H new ATOM 667 N THR A 44 8.790 8.784 -6.523 1.00 0.00 N ATOM 668 CA THR A 44 9.224 9.685 -5.469 1.00 0.00 C ATOM 669 C THR A 44 8.232 9.659 -4.304 1.00 0.00 C ATOM 670 O THR A 44 7.142 9.103 -4.425 1.00 0.00 O ATOM 671 CB THR A 44 9.406 11.076 -6.081 1.00 0.00 C ATOM 672 OG1 THR A 44 8.151 11.351 -6.698 1.00 0.00 O ATOM 673 CG2 THR A 44 10.401 11.078 -7.243 1.00 0.00 C ATOM 0 H THR A 44 8.803 9.186 -7.460 1.00 0.00 H new ATOM 0 HA THR A 44 10.180 9.371 -5.049 1.00 0.00 H new ATOM 0 HB THR A 44 9.745 11.770 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.180 12.236 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.493 12.088 -7.641 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.374 10.737 -6.889 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.046 10.410 -8.028 1.00 0.00 H new ATOM 681 N GLU A 45 8.647 10.267 -3.202 1.00 0.00 N ATOM 682 CA GLU A 45 7.809 10.321 -2.016 1.00 0.00 C ATOM 683 C GLU A 45 6.580 11.195 -2.274 1.00 0.00 C ATOM 684 O GLU A 45 5.556 11.044 -1.609 1.00 0.00 O ATOM 685 CB GLU A 45 8.600 10.828 -0.809 1.00 0.00 C ATOM 686 CG GLU A 45 9.540 9.745 -0.275 1.00 0.00 C ATOM 687 CD GLU A 45 10.649 10.357 0.584 1.00 0.00 C ATOM 688 OE1 GLU A 45 10.372 11.406 1.204 1.00 0.00 O ATOM 689 OE2 GLU A 45 11.747 9.761 0.601 1.00 0.00 O ATOM 0 H GLU A 45 9.553 10.726 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 45 7.470 9.311 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.177 11.708 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.912 11.137 -0.022 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.973 9.025 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.981 9.198 -1.108 1.00 0.00 H new ATOM 696 N ALA A 46 6.722 12.090 -3.240 1.00 0.00 N ATOM 697 CA ALA A 46 5.637 12.989 -3.594 1.00 0.00 C ATOM 698 C ALA A 46 4.527 12.194 -4.284 1.00 0.00 C ATOM 699 O ALA A 46 3.348 12.376 -3.983 1.00 0.00 O ATOM 700 CB ALA A 46 6.175 14.121 -4.471 1.00 0.00 C ATOM 0 H ALA A 46 7.573 12.212 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 46 5.210 13.445 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.360 14.795 -4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.939 14.673 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.610 13.703 -5.379 1.00 0.00 H new ATOM 706 N GLU A 47 4.943 11.329 -5.197 1.00 0.00 N ATOM 707 CA GLU A 47 3.998 10.505 -5.933 1.00 0.00 C ATOM 708 C GLU A 47 3.202 9.622 -4.971 1.00 0.00 C ATOM 709 O GLU A 47 1.982 9.742 -4.877 1.00 0.00 O ATOM 710 CB GLU A 47 4.714 9.660 -6.989 1.00 0.00 C ATOM 711 CG GLU A 47 3.722 8.780 -7.751 1.00 0.00 C ATOM 712 CD GLU A 47 3.921 8.911 -9.263 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.071 10.065 -9.717 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.920 7.853 -9.929 1.00 0.00 O ATOM 0 H GLU A 47 5.921 11.180 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 47 3.301 11.162 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.238 10.312 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.467 9.034 -6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.850 7.739 -7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.703 9.064 -7.489 1.00 0.00 H new ATOM 721 N LEU A 48 3.926 8.753 -4.279 1.00 0.00 N ATOM 722 CA LEU A 48 3.302 7.850 -3.327 1.00 0.00 C ATOM 723 C LEU A 48 2.249 8.613 -2.521 1.00 0.00 C ATOM 724 O LEU A 48 1.074 8.250 -2.529 1.00 0.00 O ATOM 725 CB LEU A 48 4.364 7.168 -2.462 1.00 0.00 C ATOM 726 CG LEU A 48 5.403 6.331 -3.210 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.746 6.341 -2.477 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.892 4.909 -3.451 1.00 0.00 C ATOM 0 H LEU A 48 4.938 8.656 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 48 2.783 7.046 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.887 7.936 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.859 6.525 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 48 5.566 6.784 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.467 5.739 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.111 7.365 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.618 5.926 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.650 4.335 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.682 4.431 -2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.980 4.946 -4.046 1.00 0.00 H new ATOM 740 N GLN A 49 2.708 9.656 -1.846 1.00 0.00 N ATOM 741 CA GLN A 49 1.820 10.473 -1.037 1.00 0.00 C ATOM 742 C GLN A 49 0.480 10.667 -1.750 1.00 0.00 C ATOM 743 O GLN A 49 -0.579 10.516 -1.142 1.00 0.00 O ATOM 744 CB GLN A 49 2.464 11.820 -0.705 1.00 0.00 C ATOM 745 CG GLN A 49 2.066 12.289 0.696 1.00 0.00 C ATOM 746 CD GLN A 49 3.077 11.813 1.742 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.280 11.898 1.562 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.522 11.310 2.841 1.00 0.00 N ATOM 0 H GLN A 49 3.683 9.954 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 49 1.637 9.953 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.549 11.734 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.159 12.564 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.003 13.377 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.075 11.908 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.506 11.269 2.926 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.112 10.966 3.598 1.00 0.00 H new ATOM 757 N ASP A 50 0.570 11.000 -3.029 1.00 0.00 N ATOM 758 CA ASP A 50 -0.622 11.216 -3.831 1.00 0.00 C ATOM 759 C ASP A 50 -1.419 9.913 -3.914 1.00 0.00 C ATOM 760 O ASP A 50 -2.640 9.918 -3.765 1.00 0.00 O ATOM 761 CB ASP A 50 -0.258 11.639 -5.256 1.00 0.00 C ATOM 762 CG ASP A 50 -0.894 12.949 -5.724 1.00 0.00 C ATOM 763 OD1 ASP A 50 -2.088 12.902 -6.089 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.171 13.969 -5.707 1.00 0.00 O ATOM 0 H ASP A 50 1.450 11.125 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.207 12.005 -3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.826 11.734 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.553 10.844 -5.941 1.00 0.00 H new ATOM 769 N MET A 51 -0.697 8.829 -4.152 1.00 0.00 N ATOM 770 CA MET A 51 -1.321 7.521 -4.257 1.00 0.00 C ATOM 771 C MET A 51 -1.996 7.129 -2.941 1.00 0.00 C ATOM 772 O MET A 51 -3.102 6.591 -2.943 1.00 0.00 O ATOM 773 CB MET A 51 -0.263 6.477 -4.619 1.00 0.00 C ATOM 774 CG MET A 51 0.465 6.858 -5.909 1.00 0.00 C ATOM 775 SD MET A 51 1.964 5.903 -6.070 1.00 0.00 S ATOM 776 CE MET A 51 1.843 5.422 -7.785 1.00 0.00 C ATOM 0 H MET A 51 0.316 8.829 -4.275 1.00 0.00 H new ATOM 0 HA MET A 51 -2.082 7.564 -5.036 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.456 6.386 -3.805 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.735 5.502 -4.738 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.183 6.681 -6.768 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.701 7.922 -5.902 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.707 4.815 -8.054 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.931 4.844 -7.937 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.817 6.313 -8.412 1.00 0.00 H new ATOM 786 N ILE A 52 -1.302 7.414 -1.849 1.00 0.00 N ATOM 787 CA ILE A 52 -1.821 7.098 -0.529 1.00 0.00 C ATOM 788 C ILE A 52 -3.101 7.899 -0.284 1.00 0.00 C ATOM 789 O ILE A 52 -4.011 7.429 0.397 1.00 0.00 O ATOM 790 CB ILE A 52 -0.745 7.318 0.536 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.382 6.292 0.396 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.353 7.312 1.940 1.00 0.00 C ATOM 793 CD1 ILE A 52 1.205 6.203 1.683 1.00 0.00 C ATOM 0 H ILE A 52 -0.385 7.860 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.088 6.043 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.306 8.303 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.039 5.314 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.030 6.569 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.566 7.470 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.092 8.110 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.835 6.352 2.124 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.999 5.467 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.644 7.176 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.559 5.902 2.508 1.00 0.00 H new ATOM 805 N ASN A 53 -3.131 9.096 -0.852 1.00 0.00 N ATOM 806 CA ASN A 53 -4.284 9.967 -0.703 1.00 0.00 C ATOM 807 C ASN A 53 -5.340 9.590 -1.745 1.00 0.00 C ATOM 808 O ASN A 53 -6.475 10.059 -1.681 1.00 0.00 O ATOM 809 CB ASN A 53 -3.902 11.431 -0.927 1.00 0.00 C ATOM 810 CG ASN A 53 -3.279 12.034 0.334 1.00 0.00 C ATOM 811 OD1 ASN A 53 -3.704 11.782 1.449 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.250 12.842 0.095 1.00 0.00 N ATOM 0 H ASN A 53 -2.375 9.483 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.669 9.846 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.198 11.504 -1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.786 12.002 -1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.765 13.294 0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.945 13.010 -0.864 1.00 0.00 H new ATOM 819 N GLU A 54 -4.928 8.746 -2.680 1.00 0.00 N ATOM 820 CA GLU A 54 -5.824 8.301 -3.733 1.00 0.00 C ATOM 821 C GLU A 54 -6.726 7.175 -3.222 1.00 0.00 C ATOM 822 O GLU A 54 -7.726 6.840 -3.856 1.00 0.00 O ATOM 823 CB GLU A 54 -5.039 7.857 -4.969 1.00 0.00 C ATOM 824 CG GLU A 54 -4.530 9.064 -5.758 1.00 0.00 C ATOM 825 CD GLU A 54 -4.871 8.932 -7.244 1.00 0.00 C ATOM 826 OE1 GLU A 54 -5.969 9.400 -7.617 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.027 8.367 -7.972 1.00 0.00 O ATOM 0 H GLU A 54 -3.986 8.359 -2.730 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.455 9.140 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.197 7.235 -4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.675 7.243 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.973 9.977 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.451 9.154 -5.636 1.00 0.00 H new ATOM 834 N VAL A 55 -6.340 6.622 -2.082 1.00 0.00 N ATOM 835 CA VAL A 55 -7.101 5.541 -1.479 1.00 0.00 C ATOM 836 C VAL A 55 -7.531 5.951 -0.069 1.00 0.00 C ATOM 837 O VAL A 55 -8.668 5.710 0.332 1.00 0.00 O ATOM 838 CB VAL A 55 -6.283 4.249 -1.502 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.672 3.375 -2.697 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.783 4.549 -1.509 1.00 0.00 C ATOM 0 H VAL A 55 -5.510 6.902 -1.560 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.008 5.346 -2.052 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.509 3.694 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.076 2.463 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.729 3.118 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.488 3.921 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.225 3.613 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.533 5.136 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.520 5.112 -0.614 1.00 0.00 H new ATOM 850 N ASP A 56 -6.598 6.563 0.646 1.00 0.00 N ATOM 851 CA ASP A 56 -6.866 7.009 2.002 1.00 0.00 C ATOM 852 C ASP A 56 -7.745 8.261 1.959 1.00 0.00 C ATOM 853 O ASP A 56 -7.304 9.317 1.510 1.00 0.00 O ATOM 854 CB ASP A 56 -5.569 7.366 2.731 1.00 0.00 C ATOM 855 CG ASP A 56 -5.752 7.892 4.156 1.00 0.00 C ATOM 856 OD1 ASP A 56 -6.401 7.174 4.947 1.00 0.00 O ATOM 857 OD2 ASP A 56 -5.239 9.000 4.423 1.00 0.00 O ATOM 0 H ASP A 56 -5.655 6.760 0.311 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.365 6.197 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.934 6.481 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.037 8.118 2.148 1.00 0.00 H new ATOM 862 N ALA A 57 -8.971 8.100 2.433 1.00 0.00 N ATOM 863 CA ALA A 57 -9.916 9.204 2.455 1.00 0.00 C ATOM 864 C ALA A 57 -9.945 9.817 3.856 1.00 0.00 C ATOM 865 O ALA A 57 -10.565 10.859 4.069 1.00 0.00 O ATOM 866 CB ALA A 57 -11.292 8.708 2.007 1.00 0.00 C ATOM 0 H ALA A 57 -9.332 7.222 2.805 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.609 9.985 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.000 9.536 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.223 8.310 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.634 7.924 2.683 1.00 0.00 H new ATOM 872 N ASP A 58 -9.267 9.146 4.776 1.00 0.00 N ATOM 873 CA ASP A 58 -9.208 9.612 6.151 1.00 0.00 C ATOM 874 C ASP A 58 -8.163 10.723 6.263 1.00 0.00 C ATOM 875 O ASP A 58 -8.347 11.680 7.015 1.00 0.00 O ATOM 876 CB ASP A 58 -8.800 8.482 7.098 1.00 0.00 C ATOM 877 CG ASP A 58 -7.383 8.593 7.665 1.00 0.00 C ATOM 878 OD1 ASP A 58 -7.143 9.570 8.406 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.572 7.697 7.344 1.00 0.00 O ATOM 0 H ASP A 58 -8.754 8.283 4.596 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.198 9.974 6.428 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.506 8.451 7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.890 7.534 6.568 1.00 0.00 H new ATOM 884 N GLY A 59 -7.089 10.561 5.505 1.00 0.00 N ATOM 885 CA GLY A 59 -6.014 11.539 5.510 1.00 0.00 C ATOM 886 C GLY A 59 -5.127 11.372 6.745 1.00 0.00 C ATOM 887 O GLY A 59 -4.594 12.350 7.268 1.00 0.00 O ATOM 0 H GLY A 59 -6.940 9.767 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.412 11.428 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.433 12.545 5.492 1.00 0.00 H new ATOM 891 N ASN A 60 -4.996 10.126 7.176 1.00 0.00 N ATOM 892 CA ASN A 60 -4.182 9.819 8.341 1.00 0.00 C ATOM 893 C ASN A 60 -2.703 9.874 7.953 1.00 0.00 C ATOM 894 O ASN A 60 -1.839 10.043 8.811 1.00 0.00 O ATOM 895 CB ASN A 60 -4.481 8.413 8.866 1.00 0.00 C ATOM 896 CG ASN A 60 -4.098 7.350 7.835 1.00 0.00 C ATOM 897 OD1 ASN A 60 -4.027 7.600 6.643 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.854 6.152 8.359 1.00 0.00 N ATOM 0 H ASN A 60 -5.439 9.317 6.740 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.412 10.550 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.931 8.242 9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.541 8.328 9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.589 5.375 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.932 6.010 9.366 1.00 0.00 H new ATOM 905 N GLY A 61 -2.458 9.727 6.659 1.00 0.00 N ATOM 906 CA GLY A 61 -1.098 9.758 6.147 1.00 0.00 C ATOM 907 C GLY A 61 -0.659 8.371 5.673 1.00 0.00 C ATOM 908 O GLY A 61 0.031 8.247 4.663 1.00 0.00 O ATOM 0 H GLY A 61 -3.178 9.586 5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.033 10.466 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.421 10.112 6.924 1.00 0.00 H new ATOM 912 N THR A 62 -1.078 7.364 6.426 1.00 0.00 N ATOM 913 CA THR A 62 -0.736 5.991 6.095 1.00 0.00 C ATOM 914 C THR A 62 -1.918 5.296 5.417 1.00 0.00 C ATOM 915 O THR A 62 -2.976 5.897 5.236 1.00 0.00 O ATOM 916 CB THR A 62 -0.277 5.296 7.379 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.211 5.732 8.362 1.00 0.00 O ATOM 918 CG2 THR A 62 1.068 5.824 7.882 1.00 0.00 C ATOM 0 H THR A 62 -1.651 7.471 7.263 1.00 0.00 H new ATOM 0 HA THR A 62 0.081 5.949 5.375 1.00 0.00 H new ATOM 0 HB THR A 62 -0.203 4.223 7.204 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.989 5.327 9.226 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.347 5.298 8.795 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.831 5.660 7.121 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.986 6.891 8.089 1.00 0.00 H new ATOM 926 N ILE A 63 -1.699 4.039 5.060 1.00 0.00 N ATOM 927 CA ILE A 63 -2.733 3.256 4.406 1.00 0.00 C ATOM 928 C ILE A 63 -3.061 2.033 5.265 1.00 0.00 C ATOM 929 O ILE A 63 -2.175 1.457 5.895 1.00 0.00 O ATOM 930 CB ILE A 63 -2.317 2.908 2.975 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.134 4.174 2.135 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.311 1.936 2.336 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.315 4.377 1.183 1.00 0.00 C ATOM 0 H ILE A 63 -0.820 3.543 5.211 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.650 3.838 4.315 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.352 2.403 3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.038 5.039 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.209 4.104 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.992 1.705 1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.349 1.018 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.301 2.392 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.159 5.284 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.393 3.521 0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.235 4.471 1.760 1.00 0.00 H new ATOM 945 N ASP A 64 -4.335 1.672 5.263 1.00 0.00 N ATOM 946 CA ASP A 64 -4.791 0.528 6.034 1.00 0.00 C ATOM 947 C ASP A 64 -5.166 -0.608 5.080 1.00 0.00 C ATOM 948 O ASP A 64 -4.904 -0.528 3.881 1.00 0.00 O ATOM 949 CB ASP A 64 -6.029 0.879 6.861 1.00 0.00 C ATOM 950 CG ASP A 64 -5.864 2.079 7.795 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.738 2.245 8.313 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.867 2.805 7.970 1.00 0.00 O ATOM 0 H ASP A 64 -5.067 2.152 4.739 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.984 0.229 6.703 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.857 1.078 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.308 0.010 7.457 1.00 0.00 H new ATOM 957 N PHE A 65 -5.773 -1.639 5.649 1.00 0.00 N ATOM 958 CA PHE A 65 -6.187 -2.790 4.864 1.00 0.00 C ATOM 959 C PHE A 65 -7.469 -2.490 4.085 1.00 0.00 C ATOM 960 O PHE A 65 -7.578 -2.829 2.907 1.00 0.00 O ATOM 961 CB PHE A 65 -6.457 -3.929 5.849 1.00 0.00 C ATOM 962 CG PHE A 65 -7.169 -5.133 5.228 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.561 -5.851 4.246 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.411 -5.484 5.657 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.221 -6.968 3.670 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.072 -6.601 5.081 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.463 -7.320 4.100 1.00 0.00 C ATOM 0 H PHE A 65 -5.988 -1.702 6.644 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.410 -3.049 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.510 -4.260 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.061 -3.548 6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.575 -5.571 3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.895 -4.913 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.737 -7.538 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.058 -6.880 5.422 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.965 -8.170 3.662 1.00 0.00 H new ATOM 977 N PRO A 66 -8.432 -1.840 4.791 1.00 0.00 N ATOM 978 CA PRO A 66 -9.703 -1.491 4.179 1.00 0.00 C ATOM 979 C PRO A 66 -9.545 -0.299 3.232 1.00 0.00 C ATOM 980 O PRO A 66 -10.374 -0.092 2.346 1.00 0.00 O ATOM 981 CB PRO A 66 -10.636 -1.204 5.344 1.00 0.00 C ATOM 982 CG PRO A 66 -9.738 -0.950 6.544 1.00 0.00 C ATOM 983 CD PRO A 66 -8.338 -1.423 6.187 1.00 0.00 C ATOM 0 HA PRO A 66 -10.103 -2.290 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.265 -0.338 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.303 -2.046 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.730 0.110 6.797 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.110 -1.484 7.419 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.606 -0.625 6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.024 -2.248 6.826 1.00 0.00 H new ATOM 991 N GLU A 67 -8.476 0.452 3.450 1.00 0.00 N ATOM 992 CA GLU A 67 -8.199 1.617 2.627 1.00 0.00 C ATOM 993 C GLU A 67 -7.439 1.207 1.365 1.00 0.00 C ATOM 994 O GLU A 67 -7.525 1.878 0.338 1.00 0.00 O ATOM 995 CB GLU A 67 -7.423 2.674 3.416 1.00 0.00 C ATOM 996 CG GLU A 67 -8.002 2.843 4.822 1.00 0.00 C ATOM 997 CD GLU A 67 -8.928 4.059 4.891 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.111 3.893 4.524 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.432 5.127 5.310 1.00 0.00 O ATOM 0 H GLU A 67 -7.791 0.277 4.185 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.149 2.060 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.374 2.386 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.459 3.627 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.553 1.945 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.191 2.957 5.542 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.711 0.106 1.482 1.00 0.00 N ATOM 1007 CA PHE A 68 -5.936 -0.402 0.363 1.00 0.00 C ATOM 1008 C PHE A 68 -6.782 -1.325 -0.516 1.00 0.00 C ATOM 1009 O PHE A 68 -6.556 -1.419 -1.721 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.773 -1.203 0.952 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.355 -2.407 0.105 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.065 -3.565 0.172 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.273 -2.320 -0.714 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.677 -4.682 -0.614 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.885 -3.437 -1.500 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.596 -4.595 -1.433 1.00 0.00 C ATOM 0 H PHE A 68 -6.642 -0.449 2.335 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.588 0.426 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.915 -0.542 1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.052 -1.551 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.924 -3.635 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.708 -1.401 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.241 -5.601 -0.561 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.026 -3.367 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.301 -5.445 -2.031 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.739 -1.983 0.122 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.620 -2.896 -0.588 1.00 0.00 C ATOM 1028 C LEU A 69 -9.104 -2.231 -1.878 1.00 0.00 C ATOM 1029 O LEU A 69 -8.927 -2.777 -2.966 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.754 -3.363 0.326 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.414 -4.502 1.290 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.264 -4.419 2.559 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.544 -5.861 0.600 1.00 0.00 C ATOM 0 H LEU A 69 -7.924 -1.902 1.122 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.082 -3.799 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.098 -2.509 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.590 -3.679 -0.298 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.373 -4.393 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.002 -5.240 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.077 -3.470 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.319 -4.488 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.297 -6.653 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.567 -5.994 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.861 -5.905 -0.248 1.00 0.00 H new ATOM 1045 N THR A 70 -9.705 -1.061 -1.714 1.00 0.00 N ATOM 1046 CA THR A 70 -10.215 -0.316 -2.852 1.00 0.00 C ATOM 1047 C THR A 70 -9.237 -0.399 -4.026 1.00 0.00 C ATOM 1048 O THR A 70 -9.634 -0.710 -5.148 1.00 0.00 O ATOM 1049 CB THR A 70 -10.493 1.116 -2.393 1.00 0.00 C ATOM 1050 OG1 THR A 70 -11.047 1.748 -3.544 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.210 1.903 -2.118 1.00 0.00 C ATOM 0 H THR A 70 -9.850 -0.611 -0.810 1.00 0.00 H new ATOM 0 HA THR A 70 -11.149 -0.743 -3.218 1.00 0.00 H new ATOM 0 HB THR A 70 -11.106 1.095 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.259 2.682 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.465 2.913 -1.795 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.638 1.405 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.612 1.953 -3.028 1.00 0.00 H new ATOM 1059 N MET A 71 -7.978 -0.115 -3.727 1.00 0.00 N ATOM 1060 CA MET A 71 -6.941 -0.154 -4.743 1.00 0.00 C ATOM 1061 C MET A 71 -6.990 -1.466 -5.528 1.00 0.00 C ATOM 1062 O MET A 71 -6.791 -1.476 -6.742 1.00 0.00 O ATOM 1063 CB MET A 71 -5.570 -0.007 -4.079 1.00 0.00 C ATOM 1064 CG MET A 71 -4.811 1.193 -4.648 1.00 0.00 C ATOM 1065 SD MET A 71 -3.311 0.645 -5.445 1.00 0.00 S ATOM 1066 CE MET A 71 -2.240 2.023 -5.072 1.00 0.00 C ATOM 0 H MET A 71 -7.653 0.143 -2.795 1.00 0.00 H new ATOM 0 HA MET A 71 -7.109 0.669 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.694 0.114 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.988 -0.916 -4.233 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.439 1.725 -5.363 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.572 1.895 -3.849 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.254 1.843 -5.500 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.659 2.935 -5.497 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.152 2.133 -3.991 1.00 0.00 H new ATOM 1076 N MET A 72 -7.257 -2.543 -4.803 1.00 0.00 N ATOM 1077 CA MET A 72 -7.335 -3.858 -5.416 1.00 0.00 C ATOM 1078 C MET A 72 -8.590 -3.984 -6.283 1.00 0.00 C ATOM 1079 O MET A 72 -8.574 -4.665 -7.307 1.00 0.00 O ATOM 1080 CB MET A 72 -7.358 -4.930 -4.324 1.00 0.00 C ATOM 1081 CG MET A 72 -6.104 -4.850 -3.452 1.00 0.00 C ATOM 1082 SD MET A 72 -5.113 -6.319 -3.672 1.00 0.00 S ATOM 1083 CE MET A 72 -4.090 -5.800 -5.039 1.00 0.00 C ATOM 0 H MET A 72 -7.422 -2.531 -3.797 1.00 0.00 H new ATOM 0 HA MET A 72 -6.461 -3.995 -6.053 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.245 -4.804 -3.704 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.426 -5.918 -4.780 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.523 -3.966 -3.716 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.386 -4.745 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.406 -6.605 -5.308 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.721 -5.559 -5.895 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.517 -4.918 -4.751 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.646 -3.318 -5.840 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.906 -3.348 -6.563 1.00 0.00 C ATOM 1095 C ALA A 73 -10.800 -2.457 -7.802 1.00 0.00 C ATOM 1096 O ALA A 73 -11.317 -2.800 -8.864 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.040 -2.917 -5.630 1.00 0.00 C ATOM 0 H ALA A 73 -9.655 -2.755 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.129 -4.359 -6.903 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.985 -2.939 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.092 -3.599 -4.781 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.851 -1.905 -5.271 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.126 -1.329 -7.624 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.945 -0.386 -8.715 1.00 0.00 C ATOM 1105 C ARG A 74 -8.679 -0.724 -9.504 1.00 0.00 C ATOM 1106 O ARG A 74 -7.962 0.172 -9.947 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.845 1.048 -8.192 1.00 0.00 C ATOM 1108 CG ARG A 74 -8.811 1.151 -7.068 1.00 0.00 C ATOM 1109 CD ARG A 74 -7.822 2.287 -7.335 1.00 0.00 C ATOM 1110 NE ARG A 74 -8.528 3.587 -7.316 1.00 0.00 N ATOM 1111 CZ ARG A 74 -9.027 4.155 -6.210 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.901 3.540 -5.026 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -9.652 5.338 -6.287 1.00 0.00 N ATOM 0 H ARG A 74 -9.699 -1.048 -6.741 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.815 -0.463 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.570 1.718 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.819 1.374 -7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.317 1.321 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.272 0.208 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.035 2.280 -6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.339 2.140 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.642 4.082 -8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.425 2.640 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.281 3.972 -4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.748 5.806 -7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.032 5.770 -5.445 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.442 -2.019 -9.656 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.275 -2.485 -10.384 1.00 0.00 C ATOM 1129 C LYS A 75 -7.678 -2.828 -11.820 1.00 0.00 C ATOM 1130 O LYS A 75 -8.193 -3.914 -12.082 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.607 -3.644 -9.640 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.427 -3.148 -8.801 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.109 -3.738 -9.306 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.646 -3.033 -10.582 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.001 -1.742 -10.256 1.00 0.00 N ATOM 1136 OXT LYS A 75 -7.428 -1.881 -12.713 1.00 0.00 O ATOM 0 H LYS A 75 -9.039 -2.760 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.523 -1.698 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.336 -4.135 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.261 -4.390 -10.356 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.381 -2.060 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.577 -3.424 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.344 -3.642 -8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.234 -4.803 -9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.946 -3.670 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.498 -2.865 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.633 -1.308 -11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.699 -1.105 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.218 -1.903 -9.591 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.661 -0.609 7.749 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.609 5.628 6.172 1.00 0.00 CE