USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 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 114:sc= 0.19 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.528 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 168:sc= 0.693 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.625 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.125 (180deg=-0.911) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.24 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 153:sc= 1.06 (180deg=-0.266!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0422 USER MOD Single : A 25 ASN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 1.9 (180deg=1.12) USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 1.24 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= 0.968 (180deg=-0.0778) USER MOD Single : A 40 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 0.943 K(o=0.94,f=-4.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.32) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.353 USER MOD Single : A 60 ASN : amide:sc= -0.261 K(o=-0.26,f=-2.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 1.17 (180deg=1.01) USER MOD Single : A 65 SER OG : rot 68:sc= 1.33 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.747 -6.728 -4.721 1.00 9.67 N ATOM 2 CA MET A 1 11.652 -6.682 -3.235 1.00 10.38 C ATOM 3 C MET A 1 10.287 -7.191 -2.916 1.00 9.62 C ATOM 4 O MET A 1 9.321 -7.025 -3.653 1.00 9.62 O ATOM 5 CB MET A 1 11.789 -5.200 -2.797 1.00 13.77 C ATOM 6 CG MET A 1 11.482 -4.942 -1.290 1.00 16.29 C ATOM 7 SD MET A 1 11.654 -3.257 -0.701 1.00 17.17 S ATOM 8 CE MET A 1 10.208 -2.646 -1.564 1.00 16.11 C ATOM 0 H1 MET A 1 12.589 -6.202 -5.032 1.00 9.67 H new ATOM 0 H2 MET A 1 11.822 -7.717 -5.034 1.00 9.67 H new ATOM 0 H3 MET A 1 10.897 -6.297 -5.137 1.00 9.67 H new ATOM 0 HA MET A 1 12.420 -7.269 -2.731 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.803 -4.863 -3.011 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.116 -4.592 -3.402 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.461 -5.268 -1.092 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.140 -5.577 -0.697 1.00 16.29 H new ATOM 0 HE1 MET A 1 9.874 -1.717 -1.102 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.458 -2.463 -2.609 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.410 -3.386 -1.507 1.00 16.11 H new ATOM 20 N GLN A 2 10.173 -7.909 -1.800 1.00 9.27 N ATOM 21 CA GLN A 2 8.880 -8.389 -1.312 1.00 9.07 C ATOM 22 C GLN A 2 8.342 -7.495 -0.241 1.00 8.72 C ATOM 23 O GLN A 2 9.166 -7.021 0.569 1.00 8.22 O ATOM 24 CB GLN A 2 9.098 -9.838 -0.771 1.00 14.46 C ATOM 25 CG GLN A 2 7.815 -10.475 -0.212 1.00 17.01 C ATOM 26 CD GLN A 2 8.144 -11.964 0.033 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.662 -12.320 1.096 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.892 -12.810 -0.931 1.00 19.49 N ATOM 0 H GLN A 2 10.965 -8.173 -1.213 1.00 9.27 H new ATOM 0 HA GLN A 2 8.146 -8.387 -2.118 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.487 -10.464 -1.574 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.856 -9.816 0.012 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.509 -9.987 0.713 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.989 -10.370 -0.916 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.463 -12.483 -1.797 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.124 -13.797 -0.817 1.00 19.49 H new ATOM 37 N ILE A 3 7.030 -7.254 -0.178 1.00 5.87 N ATOM 38 CA ILE A 3 6.400 -6.532 0.888 1.00 5.07 C ATOM 39 C ILE A 3 5.090 -7.234 1.296 1.00 4.01 C ATOM 40 O ILE A 3 4.495 -7.974 0.476 1.00 4.61 O ATOM 41 CB ILE A 3 6.125 -5.029 0.700 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.238 -4.769 -0.455 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.410 -4.282 0.629 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.841 -3.264 -0.655 1.00 10.83 C ATOM 0 H ILE A 3 6.375 -7.571 -0.893 1.00 5.87 H new ATOM 0 HA ILE A 3 7.163 -6.554 1.666 1.00 5.07 H new ATOM 0 HB ILE A 3 5.580 -4.661 1.570 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.731 -5.123 -1.360 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.328 -5.357 -0.336 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.206 -3.219 0.496 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.969 -4.431 1.553 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.997 -4.647 -0.214 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.190 -3.172 -1.525 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.316 -2.905 0.230 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.740 -2.668 -0.810 1.00 10.83 H new ATOM 56 N PHE A 4 4.650 -7.029 2.558 1.00 4.55 N ATOM 57 CA PHE A 4 3.448 -7.514 3.144 1.00 4.68 C ATOM 58 C PHE A 4 2.437 -6.446 3.524 1.00 5.30 C ATOM 59 O PHE A 4 2.750 -5.405 4.115 1.00 5.58 O ATOM 60 CB PHE A 4 3.731 -8.297 4.474 1.00 4.83 C ATOM 61 CG PHE A 4 4.904 -9.229 4.319 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.796 -10.312 3.420 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.010 -9.119 5.154 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.783 -11.326 3.388 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.977 -10.178 5.097 1.00 10.61 C ATOM 66 CZ PHE A 4 6.874 -11.278 4.205 1.00 8.90 C ATOM 0 H PHE A 4 5.192 -6.472 3.219 1.00 4.55 H new ATOM 0 HA PHE A 4 3.034 -8.141 2.355 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.929 -7.590 5.280 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.846 -8.866 4.759 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.951 -10.367 2.749 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.136 -8.275 5.816 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.670 -12.154 2.703 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.824 -10.136 5.765 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.631 -12.048 4.175 1.00 8.90 H new ATOM 76 N VAL A 5 1.154 -6.767 3.196 1.00 4.44 N ATOM 77 CA VAL A 5 0.048 -5.890 3.579 1.00 3.87 C ATOM 78 C VAL A 5 -0.948 -6.582 4.441 1.00 4.93 C ATOM 79 O VAL A 5 -1.410 -7.677 4.070 1.00 6.84 O ATOM 80 CB VAL A 5 -0.736 -5.297 2.416 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.907 -4.290 2.785 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.200 -4.538 1.539 1.00 9.13 C ATOM 0 H VAL A 5 0.881 -7.605 2.682 1.00 4.44 H new ATOM 0 HA VAL A 5 0.558 -5.086 4.110 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.202 -6.164 1.947 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.386 -3.939 1.871 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.642 -4.799 3.408 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.497 -3.439 3.330 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.352 -4.109 0.703 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.668 -3.738 2.113 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.969 -5.211 1.159 1.00 9.13 H new ATOM 92 N LYS A 6 -1.399 -5.946 5.532 1.00 6.04 N ATOM 93 CA LYS A 6 -2.377 -6.551 6.431 1.00 6.12 C ATOM 94 C LYS A 6 -3.724 -5.874 6.227 1.00 6.57 C ATOM 95 O LYS A 6 -3.874 -4.663 6.495 1.00 5.76 O ATOM 96 CB LYS A 6 -1.961 -6.385 7.927 1.00 7.45 C ATOM 97 CG LYS A 6 -0.575 -6.968 8.323 1.00 11.12 C ATOM 98 CD LYS A 6 -0.530 -8.474 7.996 1.00 14.54 C ATOM 99 CE LYS A 6 0.735 -9.216 8.576 1.00 18.84 C ATOM 100 NZ LYS A 6 0.543 -10.710 8.443 1.00 20.55 N ATOM 0 H LYS A 6 -1.098 -5.011 5.808 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.433 -7.615 6.202 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.967 -5.322 8.168 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.722 -6.857 8.549 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.217 -6.446 7.785 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.395 -6.812 9.387 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.429 -8.948 8.389 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.549 -8.602 6.914 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.631 -8.904 8.040 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.880 -8.948 9.623 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.444 -11.194 8.632 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.172 -11.030 9.127 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.225 -10.935 7.479 1.00 20.55 H new ATOM 114 N THR A 7 -4.771 -6.520 5.818 1.00 7.41 N ATOM 115 CA THR A 7 -6.184 -6.139 5.842 1.00 7.48 C ATOM 116 C THR A 7 -6.813 -5.819 7.156 1.00 8.75 C ATOM 117 O THR A 7 -6.188 -5.940 8.233 1.00 8.58 O ATOM 118 CB THR A 7 -7.045 -6.851 4.805 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.511 -8.093 5.310 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.226 -7.081 3.488 1.00 9.17 C ATOM 0 H THR A 7 -4.661 -7.446 5.404 1.00 7.41 H new ATOM 0 HA THR A 7 -6.142 -5.114 5.474 1.00 7.48 H new ATOM 0 HB THR A 7 -7.906 -6.221 4.582 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.063 -8.535 4.632 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.851 -7.590 2.755 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.905 -6.120 3.086 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.351 -7.693 3.706 1.00 9.17 H new ATOM 128 N LEU A 8 -8.148 -5.507 7.126 1.00 9.84 N ATOM 129 CA LEU A 8 -8.882 -5.223 8.359 1.00 14.15 C ATOM 130 C LEU A 8 -8.941 -6.496 9.214 1.00 17.37 C ATOM 131 O LEU A 8 -8.750 -6.535 10.429 1.00 17.01 O ATOM 132 CB LEU A 8 -10.344 -4.734 8.093 1.00 16.63 C ATOM 133 CG LEU A 8 -11.227 -4.508 9.355 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.576 -3.663 10.405 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.568 -3.845 8.950 1.00 18.59 C ATOM 0 H LEU A 8 -8.707 -5.452 6.274 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.351 -4.422 8.873 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.298 -3.799 7.534 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.840 -5.464 7.453 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.387 -5.496 9.787 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.252 -3.551 11.252 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.654 -4.141 10.737 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.347 -2.681 9.991 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.180 -3.690 9.838 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.370 -2.885 8.474 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.098 -4.493 8.252 1.00 18.59 H new ATOM 147 N THR A 9 -9.190 -7.681 8.601 1.00 18.33 N ATOM 148 CA THR A 9 -9.358 -8.980 9.284 1.00 19.24 C ATOM 149 C THR A 9 -8.026 -9.666 9.387 1.00 19.48 C ATOM 150 O THR A 9 -7.980 -10.842 9.724 1.00 23.14 O ATOM 151 CB THR A 9 -10.409 -9.853 8.623 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.240 -10.022 7.174 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.804 -9.271 8.886 1.00 19.70 C ATOM 0 H THR A 9 -9.281 -7.756 7.588 1.00 18.33 H new ATOM 0 HA THR A 9 -9.732 -8.795 10.291 1.00 19.24 H new ATOM 0 HB THR A 9 -10.289 -10.840 9.070 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.954 -10.597 6.826 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.556 -9.900 8.410 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.987 -9.236 9.960 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.861 -8.263 8.475 1.00 19.70 H new ATOM 161 N GLY A 10 -6.889 -8.973 9.107 1.00 19.43 N ATOM 162 CA GLY A 10 -5.565 -9.509 9.384 1.00 18.74 C ATOM 163 C GLY A 10 -5.127 -10.316 8.210 1.00 17.62 C ATOM 164 O GLY A 10 -4.364 -11.225 8.417 1.00 19.74 O ATOM 0 H GLY A 10 -6.883 -8.042 8.689 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.860 -8.699 9.571 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.587 -10.127 10.282 1.00 18.74 H new ATOM 168 N LYS A 11 -5.623 -10.128 6.994 1.00 13.56 N ATOM 169 CA LYS A 11 -5.169 -10.955 5.925 1.00 11.91 C ATOM 170 C LYS A 11 -3.842 -10.497 5.269 1.00 10.18 C ATOM 171 O LYS A 11 -3.647 -9.326 4.900 1.00 9.10 O ATOM 172 CB LYS A 11 -6.281 -11.078 4.864 1.00 13.43 C ATOM 173 CG LYS A 11 -5.936 -12.168 3.797 1.00 16.69 C ATOM 174 CD LYS A 11 -7.092 -12.404 2.715 1.00 17.92 C ATOM 175 CE LYS A 11 -7.213 -11.247 1.745 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.200 -11.555 0.712 1.00 21.93 N ATOM 0 H LYS A 11 -6.320 -9.426 6.744 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.945 -11.926 6.366 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.224 -11.329 5.351 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.423 -10.116 4.371 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.021 -11.880 3.280 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.731 -13.109 4.307 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.887 -13.320 2.161 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.043 -12.547 3.228 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.506 -10.344 2.280 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.245 -11.046 1.285 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.612 -10.671 0.351 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.739 -12.066 -0.067 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.953 -12.147 1.117 1.00 21.93 H new ATOM 190 N THR A 12 -2.897 -11.458 5.119 1.00 9.63 N ATOM 191 CA THR A 12 -1.657 -11.138 4.459 1.00 9.85 C ATOM 192 C THR A 12 -1.800 -11.076 2.948 1.00 11.66 C ATOM 193 O THR A 12 -2.010 -12.047 2.299 1.00 12.33 O ATOM 194 CB THR A 12 -0.503 -12.101 4.738 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.322 -12.278 6.191 1.00 10.91 O ATOM 196 CG2 THR A 12 0.787 -11.475 4.231 1.00 9.63 C ATOM 0 H THR A 12 -2.985 -12.422 5.442 1.00 9.63 H new ATOM 0 HA THR A 12 -1.417 -10.164 4.884 1.00 9.85 H new ATOM 0 HB THR A 12 -0.726 -13.052 4.254 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.419 -12.898 6.355 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.620 -12.151 4.423 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.707 -11.294 3.159 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.960 -10.530 4.747 1.00 9.63 H new ATOM 204 N ILE A 13 -1.528 -9.889 2.397 1.00 10.42 N ATOM 205 CA ILE A 13 -1.258 -9.810 0.958 1.00 11.84 C ATOM 206 C ILE A 13 0.263 -9.767 0.828 1.00 10.55 C ATOM 207 O ILE A 13 0.888 -8.878 1.422 1.00 11.92 O ATOM 208 CB ILE A 13 -1.910 -8.655 0.186 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.348 -8.562 0.625 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.745 -8.860 -1.355 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.166 -7.358 -0.017 1.00 16.46 C ATOM 0 H ILE A 13 -1.489 -9.003 2.901 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.720 -10.678 0.488 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.420 -7.706 0.407 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.850 -9.497 0.376 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.376 -8.464 1.710 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.214 -8.031 -1.885 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.685 -8.898 -1.606 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.221 -9.795 -1.651 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.189 -7.373 0.358 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.694 -6.413 0.252 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.176 -7.462 -1.102 1.00 16.46 H new ATOM 223 N THR A 14 0.816 -10.638 -0.056 1.00 9.39 N ATOM 224 CA THR A 14 2.220 -10.687 -0.483 1.00 9.63 C ATOM 225 C THR A 14 2.452 -10.092 -1.827 1.00 11.20 C ATOM 226 O THR A 14 1.980 -10.592 -2.819 1.00 11.63 O ATOM 227 CB THR A 14 2.845 -12.060 -0.495 1.00 10.38 C ATOM 228 OG1 THR A 14 2.572 -12.751 0.739 1.00 16.30 O ATOM 229 CG2 THR A 14 4.411 -11.988 -0.454 1.00 11.66 C ATOM 0 H THR A 14 0.255 -11.360 -0.509 1.00 9.39 H new ATOM 0 HA THR A 14 2.702 -10.091 0.292 1.00 9.63 H new ATOM 0 HB THR A 14 2.448 -12.539 -1.390 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.983 -13.640 0.714 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.822 -12.997 -0.464 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.773 -11.440 -1.324 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.728 -11.476 0.455 1.00 11.66 H new ATOM 237 N LEU A 15 3.179 -8.966 -1.895 1.00 8.29 N ATOM 238 CA LEU A 15 3.332 -8.193 -3.099 1.00 9.03 C ATOM 239 C LEU A 15 4.794 -8.068 -3.431 1.00 8.59 C ATOM 240 O LEU A 15 5.633 -7.733 -2.599 1.00 7.79 O ATOM 241 CB LEU A 15 2.897 -6.722 -2.813 1.00 11.08 C ATOM 242 CG LEU A 15 1.427 -6.461 -2.461 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.274 -4.985 -2.067 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.503 -6.901 -3.633 1.00 15.27 C ATOM 0 H LEU A 15 3.677 -8.577 -1.094 1.00 8.29 H new ATOM 0 HA LEU A 15 2.753 -8.675 -3.887 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.509 -6.347 -1.993 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.141 -6.125 -3.692 1.00 11.08 H new ATOM 0 HG LEU A 15 1.115 -7.060 -1.605 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.234 -4.782 -1.813 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.906 -4.771 -1.205 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.574 -4.352 -2.903 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.537 -6.710 -3.368 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.759 -6.337 -4.530 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.639 -7.966 -3.823 1.00 15.27 H new ATOM 256 N GLU A 16 5.058 -8.346 -4.733 1.00 11.04 N ATOM 257 CA GLU A 16 6.353 -8.277 -5.345 1.00 11.50 C ATOM 258 C GLU A 16 6.439 -6.898 -6.017 1.00 10.13 C ATOM 259 O GLU A 16 5.672 -6.584 -6.936 1.00 9.83 O ATOM 260 CB GLU A 16 6.607 -9.404 -6.378 1.00 17.22 C ATOM 261 CG GLU A 16 8.122 -9.354 -6.917 1.00 23.33 C ATOM 262 CD GLU A 16 8.608 -10.581 -7.700 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.708 -11.715 -7.168 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.824 -10.404 -8.936 1.00 28.86 O ATOM 0 H GLU A 16 4.328 -8.632 -5.386 1.00 11.04 H new ATOM 0 HA GLU A 16 7.121 -8.414 -4.584 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.411 -10.374 -5.921 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.915 -9.300 -7.214 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.229 -8.477 -7.555 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.784 -9.209 -6.063 1.00 23.33 H new ATOM 271 N VAL A 17 7.415 -6.082 -5.551 1.00 8.99 N ATOM 272 CA VAL A 17 7.594 -4.714 -5.960 1.00 8.85 C ATOM 273 C VAL A 17 8.994 -4.326 -6.106 1.00 8.04 C ATOM 274 O VAL A 17 9.871 -4.871 -5.474 1.00 8.99 O ATOM 275 CB VAL A 17 6.890 -3.690 -5.050 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.415 -3.998 -4.933 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.525 -3.712 -3.626 1.00 10.54 C ATOM 0 H VAL A 17 8.104 -6.388 -4.864 1.00 8.99 H new ATOM 0 HA VAL A 17 7.117 -4.689 -6.940 1.00 8.85 H new ATOM 0 HB VAL A 17 7.015 -2.704 -5.497 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.940 -3.261 -4.285 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.956 -3.962 -5.921 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.284 -4.993 -4.508 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.020 -2.984 -2.991 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.417 -4.707 -3.195 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.583 -3.460 -3.696 1.00 10.54 H new ATOM 287 N GLU A 18 9.258 -3.364 -6.963 1.00 7.29 N ATOM 288 CA GLU A 18 10.552 -2.756 -7.092 1.00 7.08 C ATOM 289 C GLU A 18 10.729 -1.566 -6.166 1.00 6.45 C ATOM 290 O GLU A 18 9.777 -0.771 -6.099 1.00 5.28 O ATOM 291 CB GLU A 18 10.888 -2.303 -8.522 1.00 10.28 C ATOM 292 CG GLU A 18 10.997 -3.456 -9.501 1.00 12.65 C ATOM 293 CD GLU A 18 11.655 -3.158 -10.873 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.896 -2.832 -10.979 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.946 -3.333 -11.912 1.00 18.17 O ATOM 0 H GLU A 18 8.561 -2.979 -7.600 1.00 7.29 H new ATOM 0 HA GLU A 18 11.241 -3.553 -6.812 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.119 -1.612 -8.868 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.829 -1.753 -8.511 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.562 -4.255 -9.021 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.994 -3.841 -9.684 1.00 12.65 H new ATOM 302 N PRO A 19 11.846 -1.277 -5.507 1.00 7.24 N ATOM 303 CA PRO A 19 11.943 -0.038 -4.776 1.00 7.07 C ATOM 304 C PRO A 19 11.561 1.304 -5.489 1.00 6.65 C ATOM 305 O PRO A 19 11.177 2.255 -4.823 1.00 6.37 O ATOM 306 CB PRO A 19 13.366 -0.106 -4.294 1.00 7.61 C ATOM 307 CG PRO A 19 13.768 -1.529 -4.161 1.00 8.16 C ATOM 308 CD PRO A 19 13.020 -2.186 -5.370 1.00 7.49 C ATOM 0 HA PRO A 19 11.177 0.020 -4.002 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.025 0.407 -4.995 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.463 0.403 -3.335 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.848 -1.657 -4.230 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.457 -1.955 -3.207 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.632 -2.207 -6.271 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.723 -3.214 -5.162 1.00 7.49 H new ATOM 316 N SER A 20 11.741 1.364 -6.798 1.00 6.80 N ATOM 317 CA SER A 20 11.308 2.483 -7.543 1.00 6.28 C ATOM 318 C SER A 20 9.863 2.492 -8.008 1.00 8.45 C ATOM 319 O SER A 20 9.414 3.427 -8.636 1.00 7.26 O ATOM 320 CB SER A 20 12.207 2.757 -8.770 1.00 8.57 C ATOM 321 OG SER A 20 13.613 2.824 -8.522 1.00 11.13 O ATOM 0 H SER A 20 12.190 0.633 -7.350 1.00 6.80 H new ATOM 0 HA SER A 20 11.391 3.275 -6.798 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.027 1.975 -9.508 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.894 3.699 -9.220 1.00 8.57 H new ATOM 0 HG SER A 20 14.085 2.999 -9.363 1.00 11.13 H new ATOM 327 N ASP A 21 9.100 1.424 -7.682 1.00 7.50 N ATOM 328 CA ASP A 21 7.647 1.470 -7.970 1.00 7.70 C ATOM 329 C ASP A 21 7.004 2.600 -7.064 1.00 7.08 C ATOM 330 O ASP A 21 7.441 2.840 -5.947 1.00 8.11 O ATOM 331 CB ASP A 21 6.971 0.133 -7.819 1.00 11.00 C ATOM 332 CG ASP A 21 7.457 -0.897 -8.817 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.918 -0.462 -9.928 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.415 -2.116 -8.524 1.00 14.36 O ATOM 0 H ASP A 21 9.439 0.567 -7.245 1.00 7.50 H new ATOM 0 HA ASP A 21 7.495 1.720 -9.020 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.141 -0.241 -6.809 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.895 0.262 -7.935 1.00 11.00 H new ATOM 339 N THR A 22 5.917 3.291 -7.575 1.00 5.37 N ATOM 340 CA THR A 22 5.137 4.234 -6.755 1.00 6.01 C ATOM 341 C THR A 22 4.093 3.548 -5.933 1.00 8.01 C ATOM 342 O THR A 22 3.724 2.396 -6.083 1.00 8.11 O ATOM 343 CB THR A 22 4.406 5.330 -7.579 1.00 8.92 C ATOM 344 OG1 THR A 22 3.467 4.804 -8.521 1.00 10.22 O ATOM 345 CG2 THR A 22 5.449 6.189 -8.302 1.00 9.65 C ATOM 0 H THR A 22 5.586 3.198 -8.535 1.00 5.37 H new ATOM 0 HA THR A 22 5.892 4.699 -6.121 1.00 6.01 H new ATOM 0 HB THR A 22 3.827 5.930 -6.877 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.041 5.542 -9.005 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.945 6.961 -8.883 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.106 6.657 -7.569 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.039 5.560 -8.969 1.00 9.65 H new ATOM 353 N ILE A 23 3.587 4.249 -4.956 1.00 8.32 N ATOM 354 CA ILE A 23 2.534 3.794 -4.098 1.00 9.92 C ATOM 355 C ILE A 23 1.227 3.582 -4.844 1.00 10.01 C ATOM 356 O ILE A 23 0.549 2.603 -4.588 1.00 8.71 O ATOM 357 CB ILE A 23 2.350 4.768 -2.950 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.688 4.963 -2.119 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.292 4.162 -1.965 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.136 3.703 -1.290 1.00 12.30 C ATOM 0 H ILE A 23 3.911 5.189 -4.729 1.00 8.32 H new ATOM 0 HA ILE A 23 2.826 2.821 -3.703 1.00 9.92 H new ATOM 0 HB ILE A 23 2.044 5.727 -3.368 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.490 5.233 -2.806 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.557 5.802 -1.436 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.141 4.844 -1.129 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.348 4.016 -2.490 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.651 3.203 -1.591 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.058 3.929 -0.755 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.356 3.442 -0.575 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.304 2.864 -1.965 1.00 12.30 H new ATOM 372 N GLU A 24 0.916 4.423 -5.919 1.00 9.54 N ATOM 373 CA GLU A 24 -0.141 4.345 -6.923 1.00 11.81 C ATOM 374 C GLU A 24 -0.066 3.004 -7.637 1.00 11.14 C ATOM 375 O GLU A 24 -1.040 2.323 -7.922 1.00 10.62 O ATOM 376 CB GLU A 24 -0.055 5.583 -7.830 1.00 19.24 C ATOM 377 CG GLU A 24 -1.308 5.647 -8.745 1.00 27.76 C ATOM 378 CD GLU A 24 -1.332 6.847 -9.693 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.460 8.068 -9.286 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.231 6.608 -10.934 1.00 34.80 O ATOM 0 H GLU A 24 1.490 5.250 -6.083 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.135 4.372 -6.477 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.011 6.486 -7.224 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.849 5.539 -8.437 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.361 4.732 -9.334 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.200 5.675 -8.119 1.00 27.76 H new ATOM 387 N ASN A 25 1.159 2.610 -8.010 1.00 9.43 N ATOM 388 CA ASN A 25 1.555 1.360 -8.659 1.00 10.96 C ATOM 389 C ASN A 25 1.221 0.165 -7.738 1.00 9.68 C ATOM 390 O ASN A 25 0.680 -0.836 -8.174 1.00 9.33 O ATOM 391 CB ASN A 25 3.033 1.374 -9.118 1.00 16.78 C ATOM 392 CG ASN A 25 3.364 0.322 -10.060 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.680 -0.829 -9.749 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.249 0.769 -11.365 1.00 24.70 N ATOM 0 H ASN A 25 1.966 3.213 -7.850 1.00 9.43 H new ATOM 0 HA ASN A 25 0.977 1.249 -9.576 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.253 2.339 -9.574 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.676 1.281 -8.243 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.430 0.131 -12.140 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.983 1.736 -11.551 1.00 24.70 H new ATOM 401 N VAL A 26 1.570 0.253 -6.437 1.00 6.52 N ATOM 402 CA VAL A 26 1.272 -0.680 -5.301 1.00 5.53 C ATOM 403 C VAL A 26 -0.221 -0.884 -5.002 1.00 4.42 C ATOM 404 O VAL A 26 -0.717 -2.017 -4.920 1.00 3.40 O ATOM 405 CB VAL A 26 2.040 -0.219 -4.081 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.514 -0.879 -2.839 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.544 -0.366 -4.374 1.00 8.12 C ATOM 0 H VAL A 26 2.119 1.049 -6.112 1.00 6.52 H new ATOM 0 HA VAL A 26 1.604 -1.673 -5.605 1.00 5.53 H new ATOM 0 HB VAL A 26 1.890 0.839 -3.868 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.081 -0.533 -1.975 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.462 -0.624 -2.709 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.616 -1.960 -2.930 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.117 -0.039 -3.507 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.773 -1.410 -4.587 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.808 0.247 -5.236 1.00 8.12 H new ATOM 417 N LYS A 27 -0.988 0.246 -4.922 1.00 2.64 N ATOM 418 CA LYS A 27 -2.448 0.260 -4.854 1.00 4.14 C ATOM 419 C LYS A 27 -3.118 -0.459 -6.088 1.00 5.58 C ATOM 420 O LYS A 27 -4.086 -1.222 -5.961 1.00 4.11 O ATOM 421 CB LYS A 27 -3.089 1.643 -4.636 1.00 3.97 C ATOM 422 CG LYS A 27 -2.525 2.404 -3.398 1.00 7.45 C ATOM 423 CD LYS A 27 -3.120 3.842 -3.282 1.00 9.02 C ATOM 424 CE LYS A 27 -2.857 4.489 -1.911 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.465 5.845 -1.785 1.00 15.47 N ATOM 0 H LYS A 27 -0.581 1.181 -4.904 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.656 -0.310 -3.949 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.934 2.251 -5.527 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.166 1.521 -4.517 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.752 1.842 -2.492 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.439 2.465 -3.472 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.693 4.471 -4.063 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.195 3.801 -3.459 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.254 3.844 -1.128 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.782 4.562 -1.749 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.941 6.396 -1.075 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.421 6.332 -2.703 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.458 5.754 -1.489 1.00 15.47 H new ATOM 439 N ALA A 28 -2.599 -0.282 -7.362 1.00 6.61 N ATOM 440 CA ALA A 28 -3.133 -0.949 -8.531 1.00 7.74 C ATOM 441 C ALA A 28 -2.850 -2.458 -8.496 1.00 9.17 C ATOM 442 O ALA A 28 -3.671 -3.260 -8.975 1.00 11.45 O ATOM 443 CB ALA A 28 -2.524 -0.363 -9.788 1.00 7.68 C ATOM 0 H ALA A 28 -1.807 0.329 -7.563 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.212 -0.796 -8.531 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.932 -0.872 -10.661 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.759 0.700 -9.845 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.442 -0.495 -9.764 1.00 7.68 H new ATOM 449 N LYS A 29 -1.777 -2.869 -7.834 1.00 8.96 N ATOM 450 CA LYS A 29 -1.414 -4.273 -7.492 1.00 7.90 C ATOM 451 C LYS A 29 -2.384 -4.794 -6.439 1.00 6.92 C ATOM 452 O LYS A 29 -2.921 -5.856 -6.542 1.00 6.87 O ATOM 453 CB LYS A 29 0.062 -4.337 -7.153 1.00 10.28 C ATOM 454 CG LYS A 29 0.672 -5.682 -7.444 1.00 14.94 C ATOM 455 CD LYS A 29 2.160 -5.427 -7.539 1.00 19.69 C ATOM 456 CE LYS A 29 2.703 -5.926 -8.913 1.00 22.63 C ATOM 457 NZ LYS A 29 4.184 -5.628 -8.936 1.00 24.98 N ATOM 0 H LYS A 29 -1.082 -2.205 -7.492 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.529 -4.958 -8.332 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.593 -3.572 -7.720 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.198 -4.103 -6.097 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.444 -6.398 -6.654 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.283 -6.099 -8.373 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.362 -4.362 -7.424 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.677 -5.939 -6.727 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.522 -6.994 -9.034 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.195 -5.421 -9.735 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.650 -6.236 -9.640 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.333 -4.630 -9.188 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.590 -5.813 -7.996 1.00 24.98 H new ATOM 471 N ILE A 30 -2.773 -4.036 -5.362 1.00 4.57 N ATOM 472 CA ILE A 30 -3.808 -4.498 -4.437 1.00 5.58 C ATOM 473 C ILE A 30 -5.187 -4.531 -5.145 1.00 7.26 C ATOM 474 O ILE A 30 -5.998 -5.419 -4.862 1.00 9.46 O ATOM 475 CB ILE A 30 -3.817 -3.575 -3.208 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.482 -3.634 -2.472 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.054 -3.806 -2.256 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.418 -2.909 -1.153 1.00 2.00 C ATOM 0 H ILE A 30 -2.380 -3.122 -5.135 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.595 -5.515 -4.108 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.943 -2.558 -3.579 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.231 -4.681 -2.300 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.712 -3.225 -3.126 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.995 -3.121 -1.410 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.976 -3.624 -2.807 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.046 -4.833 -1.892 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.422 -3.021 -0.724 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.629 -1.851 -1.309 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.156 -3.330 -0.470 1.00 2.00 H new ATOM 490 N GLN A 31 -5.438 -3.717 -6.190 1.00 7.06 N ATOM 491 CA GLN A 31 -6.599 -3.831 -7.117 1.00 8.67 C ATOM 492 C GLN A 31 -6.575 -5.088 -7.862 1.00 10.90 C ATOM 493 O GLN A 31 -7.536 -5.830 -7.789 1.00 9.63 O ATOM 494 CB GLN A 31 -6.844 -2.659 -8.134 1.00 9.12 C ATOM 495 CG GLN A 31 -8.209 -2.525 -8.781 1.00 10.76 C ATOM 496 CD GLN A 31 -8.311 -1.330 -9.748 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.308 -0.621 -9.976 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.579 -1.124 -10.165 1.00 14.76 N ATOM 0 H GLN A 31 -4.825 -2.937 -6.425 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.434 -3.782 -6.418 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.631 -1.724 -7.617 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.109 -2.756 -8.933 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.438 -3.443 -9.323 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.964 -2.418 -8.002 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.314 -1.783 -9.908 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.802 -0.309 -10.737 1.00 14.76 H new ATOM 507 N ASP A 32 -5.473 -5.480 -8.504 1.00 10.93 N ATOM 508 CA ASP A 32 -5.285 -6.772 -9.112 1.00 14.01 C ATOM 509 C ASP A 32 -5.426 -7.951 -8.099 1.00 14.04 C ATOM 510 O ASP A 32 -6.076 -8.939 -8.463 1.00 13.39 O ATOM 511 CB ASP A 32 -3.847 -6.767 -9.807 1.00 18.01 C ATOM 512 CG ASP A 32 -3.510 -8.006 -10.624 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.082 -8.190 -11.722 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.619 -8.748 -10.173 1.00 26.29 O ATOM 0 H ASP A 32 -4.662 -4.871 -8.612 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.071 -6.940 -9.848 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.780 -5.895 -10.457 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.089 -6.646 -9.033 1.00 18.01 H new ATOM 519 N LYS A 33 -4.814 -7.947 -6.831 1.00 14.22 N ATOM 520 CA LYS A 33 -4.959 -8.980 -5.772 1.00 14.00 C ATOM 521 C LYS A 33 -6.403 -9.072 -5.225 1.00 12.37 C ATOM 522 O LYS A 33 -6.970 -10.200 -5.216 1.00 12.17 O ATOM 523 CB LYS A 33 -3.962 -8.733 -4.596 1.00 18.62 C ATOM 524 CG LYS A 33 -2.523 -8.891 -4.986 1.00 24.00 C ATOM 525 CD LYS A 33 -1.991 -10.363 -4.894 1.00 27.61 C ATOM 526 CE LYS A 33 -0.514 -10.557 -5.176 1.00 27.64 C ATOM 527 NZ LYS A 33 0.113 -11.802 -4.625 1.00 30.06 N ATOM 0 H LYS A 33 -4.196 -7.189 -6.543 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.722 -9.933 -6.245 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.116 -7.727 -4.206 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.189 -9.427 -3.787 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.393 -8.533 -6.007 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.912 -8.255 -4.345 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.202 -10.742 -3.894 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.558 -10.977 -5.594 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.369 -10.551 -6.256 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.025 -9.698 -4.777 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.846 -11.545 -3.934 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.615 -12.380 -4.158 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.543 -12.346 -5.400 1.00 30.06 H new ATOM 541 N GLU A 34 -7.068 -7.973 -4.871 1.00 10.11 N ATOM 542 CA GLU A 34 -8.291 -7.988 -4.081 1.00 10.07 C ATOM 543 C GLU A 34 -9.480 -7.286 -4.723 1.00 9.32 C ATOM 544 O GLU A 34 -10.606 -7.362 -4.201 1.00 11.61 O ATOM 545 CB GLU A 34 -8.127 -7.210 -2.730 1.00 14.77 C ATOM 546 CG GLU A 34 -7.060 -7.834 -1.698 1.00 18.75 C ATOM 547 CD GLU A 34 -7.499 -9.123 -1.195 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.643 -9.189 -0.648 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.772 -10.169 -1.420 1.00 25.19 O ATOM 0 H GLU A 34 -6.765 -7.034 -5.131 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.472 -9.057 -3.968 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.833 -6.185 -2.954 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.098 -7.163 -2.238 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.095 -7.945 -2.193 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.914 -7.147 -0.864 1.00 18.75 H new ATOM 556 N GLY A 35 -9.311 -6.644 -5.847 1.00 7.22 N ATOM 557 CA GLY A 35 -10.418 -6.087 -6.610 1.00 6.29 C ATOM 558 C GLY A 35 -10.848 -4.721 -6.106 1.00 6.93 C ATOM 559 O GLY A 35 -11.811 -4.178 -6.604 1.00 7.41 O ATOM 0 H GLY A 35 -8.397 -6.486 -6.271 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.129 -6.009 -7.658 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.266 -6.770 -6.564 1.00 6.29 H new ATOM 563 N ILE A 36 -10.088 -4.102 -5.137 1.00 5.86 N ATOM 564 CA ILE A 36 -10.539 -2.827 -4.517 1.00 6.07 C ATOM 565 C ILE A 36 -9.954 -1.649 -5.292 1.00 6.36 C ATOM 566 O ILE A 36 -8.718 -1.574 -5.377 1.00 6.18 O ATOM 567 CB ILE A 36 -10.012 -2.654 -3.047 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.435 -3.832 -2.147 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.515 -1.419 -2.359 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.901 -3.695 -0.704 1.00 9.49 C ATOM 0 H ILE A 36 -9.198 -4.457 -4.788 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.629 -2.853 -4.529 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.930 -2.595 -3.169 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.523 -3.895 -2.124 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.071 -4.764 -2.579 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.106 -1.373 -1.350 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.201 -0.538 -2.918 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.603 -1.448 -2.309 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.228 -4.550 -0.112 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.812 -3.660 -0.721 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.286 -2.778 -0.259 1.00 9.49 H new ATOM 582 N PRO A 37 -10.794 -0.685 -5.823 1.00 8.65 N ATOM 583 CA PRO A 37 -10.261 0.534 -6.455 1.00 9.18 C ATOM 584 C PRO A 37 -9.180 1.280 -5.715 1.00 9.85 C ATOM 585 O PRO A 37 -9.269 1.358 -4.474 1.00 8.51 O ATOM 586 CB PRO A 37 -11.561 1.378 -6.648 1.00 11.42 C ATOM 587 CG PRO A 37 -12.580 0.310 -6.901 1.00 9.27 C ATOM 588 CD PRO A 37 -12.290 -0.734 -5.839 1.00 8.33 C ATOM 0 HA PRO A 37 -9.714 0.296 -7.368 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.799 1.971 -5.765 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.478 2.072 -7.485 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.595 0.698 -6.813 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.483 -0.104 -7.905 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.725 -0.477 -4.873 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.671 -1.719 -6.109 1.00 8.33 H new ATOM 596 N PRO A 38 -8.194 1.948 -6.350 1.00 8.71 N ATOM 597 CA PRO A 38 -7.088 2.607 -5.640 1.00 9.08 C ATOM 598 C PRO A 38 -7.673 3.844 -4.917 1.00 9.28 C ATOM 599 O PRO A 38 -7.069 4.364 -3.978 1.00 6.50 O ATOM 600 CB PRO A 38 -6.023 3.106 -6.698 1.00 10.31 C ATOM 601 CG PRO A 38 -6.305 2.110 -7.803 1.00 10.81 C ATOM 602 CD PRO A 38 -7.766 1.582 -7.663 1.00 12.00 C ATOM 0 HA PRO A 38 -6.618 1.921 -4.935 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.189 4.138 -7.008 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.000 3.045 -6.327 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.169 2.581 -8.776 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.600 1.281 -7.749 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.414 2.022 -8.421 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.805 0.501 -7.799 1.00 12.00 H new ATOM 610 N ASP A 39 -8.808 4.378 -5.402 1.00 11.20 N ATOM 611 CA ASP A 39 -9.568 5.451 -4.866 1.00 14.96 C ATOM 612 C ASP A 39 -9.893 5.167 -3.413 1.00 13.99 C ATOM 613 O ASP A 39 -9.852 6.077 -2.597 1.00 13.75 O ATOM 614 CB ASP A 39 -10.919 5.635 -5.589 1.00 24.16 C ATOM 615 CG ASP A 39 -10.603 5.857 -7.055 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.418 7.024 -7.430 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.602 4.885 -7.767 1.00 35.55 O ATOM 0 H ASP A 39 -9.229 4.015 -6.257 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.963 6.349 -4.989 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.551 4.756 -5.458 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.465 6.484 -5.178 1.00 24.16 H new ATOM 622 N GLN A 40 -10.206 3.909 -3.056 1.00 11.60 N ATOM 623 CA GLN A 40 -10.603 3.612 -1.700 1.00 10.76 C ATOM 624 C GLN A 40 -9.383 3.255 -0.824 1.00 8.01 C ATOM 625 O GLN A 40 -9.511 3.059 0.392 1.00 8.96 O ATOM 626 CB GLN A 40 -11.679 2.468 -1.718 1.00 11.14 C ATOM 627 CG GLN A 40 -13.073 2.689 -2.331 1.00 14.85 C ATOM 628 CD GLN A 40 -13.851 1.425 -2.615 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.424 1.267 -3.698 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.746 0.510 -1.645 1.00 18.16 N ATOM 0 H GLN A 40 -10.188 3.107 -3.686 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.050 4.498 -1.250 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.233 1.621 -2.240 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.832 2.160 -0.684 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.657 3.313 -1.654 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.961 3.246 -3.261 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.251 0.736 -0.782 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.161 -0.414 -1.768 1.00 18.16 H new ATOM 639 N GLN A 41 -8.188 3.115 -1.411 1.00 6.52 N ATOM 640 CA GLN A 41 -7.040 2.678 -0.646 1.00 3.87 C ATOM 641 C GLN A 41 -6.180 3.727 0.153 1.00 4.79 C ATOM 642 O GLN A 41 -5.669 4.647 -0.451 1.00 6.34 O ATOM 643 CB GLN A 41 -6.079 1.814 -1.492 1.00 4.20 C ATOM 644 CG GLN A 41 -6.860 0.575 -2.097 1.00 3.20 C ATOM 645 CD GLN A 41 -5.930 -0.190 -2.977 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.725 -0.275 -2.666 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.416 -0.617 -4.195 1.00 7.13 N ATOM 0 H GLN A 41 -8.004 3.297 -2.397 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.555 2.117 0.134 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.650 2.412 -2.296 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.250 1.467 -0.876 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.235 -0.063 -1.297 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.726 0.915 -2.666 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.410 -0.528 -4.407 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.782 -1.022 -4.884 1.00 7.13 H new ATOM 656 N ARG A 42 -6.047 3.537 1.458 1.00 5.73 N ATOM 657 CA ARG A 42 -5.161 4.244 2.401 1.00 6.97 C ATOM 658 C ARG A 42 -4.222 3.218 2.883 1.00 7.15 C ATOM 659 O ARG A 42 -4.558 2.109 3.277 1.00 7.33 O ATOM 660 CB ARG A 42 -5.918 4.758 3.632 1.00 13.23 C ATOM 661 CG ARG A 42 -6.897 5.955 3.361 1.00 21.27 C ATOM 662 CD ARG A 42 -7.528 6.544 4.668 1.00 26.14 C ATOM 663 NE ARG A 42 -8.087 7.891 4.284 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.317 8.324 4.625 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.063 7.714 5.538 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.799 9.405 4.060 1.00 36.39 N ATOM 0 H ARG A 42 -6.600 2.825 1.935 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.698 5.097 1.904 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.488 3.933 4.059 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.191 5.067 4.383 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.359 6.745 2.837 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.695 5.620 2.699 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.311 5.891 5.053 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.779 6.641 5.454 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.497 8.513 3.732 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.710 6.883 6.012 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.989 8.077 5.765 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.244 9.910 3.369 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.729 9.741 4.311 1.00 36.39 H new ATOM 680 N LEU A 43 -2.930 3.447 2.758 1.00 4.65 N ATOM 681 CA LEU A 43 -1.959 2.440 3.099 1.00 3.51 C ATOM 682 C LEU A 43 -1.064 3.051 4.134 1.00 5.56 C ATOM 683 O LEU A 43 -0.454 4.068 3.880 1.00 4.19 O ATOM 684 CB LEU A 43 -1.029 1.995 1.906 1.00 3.74 C ATOM 685 CG LEU A 43 -1.696 0.858 1.114 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.905 0.682 -0.212 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.653 -0.422 1.907 1.00 6.41 C ATOM 0 H LEU A 43 -2.533 4.324 2.422 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.508 1.556 3.423 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.837 2.843 1.249 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.064 1.664 2.290 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.740 1.098 0.912 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.353 -0.119 -0.799 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.938 1.611 -0.781 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.131 0.431 0.013 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.128 -1.220 1.336 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.616 -0.689 2.110 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.184 -0.284 2.849 1.00 6.41 H new ATOM 699 N ILE A 44 -0.980 2.404 5.327 1.00 4.58 N ATOM 700 CA ILE A 44 -0.241 2.949 6.432 1.00 5.55 C ATOM 701 C ILE A 44 0.952 2.093 6.791 1.00 5.46 C ATOM 702 O ILE A 44 0.890 0.880 6.999 1.00 6.04 O ATOM 703 CB ILE A 44 -1.129 3.265 7.697 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.375 4.163 7.343 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.266 3.937 8.816 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.013 4.945 8.469 1.00 13.90 C ATOM 0 H ILE A 44 -1.425 1.506 5.520 1.00 4.58 H new ATOM 0 HA ILE A 44 0.131 3.912 6.083 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.514 2.315 8.067 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.072 4.871 6.571 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.139 3.521 6.904 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.894 4.149 9.682 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.540 3.263 9.108 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.158 4.868 8.439 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.857 5.517 8.082 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.363 4.256 9.238 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.280 5.627 8.900 1.00 13.90 H new ATOM 718 N PHE A 45 2.183 2.642 6.911 1.00 6.75 N ATOM 719 CA PHE A 45 3.338 1.993 7.354 1.00 4.70 C ATOM 720 C PHE A 45 3.819 2.654 8.637 1.00 6.34 C ATOM 721 O PHE A 45 4.311 3.708 8.641 1.00 5.45 O ATOM 722 CB PHE A 45 4.438 2.152 6.260 1.00 5.51 C ATOM 723 CG PHE A 45 5.801 1.507 6.536 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.894 0.176 6.974 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.012 2.235 6.254 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.085 -0.372 7.246 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.244 1.597 6.408 1.00 6.64 C ATOM 728 CZ PHE A 45 8.314 0.309 6.957 1.00 6.84 C ATOM 0 H PHE A 45 2.357 3.618 6.673 1.00 6.75 H new ATOM 0 HA PHE A 45 3.133 0.939 7.539 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.051 1.738 5.329 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.596 3.217 6.093 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.996 -0.412 7.093 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.967 3.263 5.927 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.121 -1.353 7.695 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.150 2.099 6.102 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.267 -0.158 7.157 1.00 6.84 H new ATOM 738 N ALA A 46 3.759 1.964 9.776 1.00 6.53 N ATOM 739 CA ALA A 46 4.329 2.496 11.012 1.00 7.15 C ATOM 740 C ALA A 46 3.985 3.879 11.425 1.00 9.00 C ATOM 741 O ALA A 46 4.870 4.649 11.755 1.00 11.15 O ATOM 742 CB ALA A 46 5.857 2.268 10.883 1.00 8.99 C ATOM 0 H ALA A 46 3.326 1.045 9.868 1.00 6.53 H new ATOM 0 HA ALA A 46 3.866 1.960 11.840 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.357 2.643 11.776 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.058 1.202 10.775 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.231 2.799 10.008 1.00 8.99 H new ATOM 748 N GLY A 47 2.698 4.186 11.332 1.00 9.35 N ATOM 749 CA GLY A 47 2.197 5.479 11.577 1.00 11.68 C ATOM 750 C GLY A 47 2.184 6.480 10.426 1.00 11.14 C ATOM 751 O GLY A 47 1.793 7.627 10.575 1.00 13.93 O ATOM 0 H GLY A 47 1.979 3.509 11.077 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.174 5.376 11.939 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.781 5.913 12.389 1.00 11.68 H new ATOM 755 N LYS A 48 2.780 6.081 9.230 1.00 10.47 N ATOM 756 CA LYS A 48 2.974 6.958 8.119 1.00 8.82 C ATOM 757 C LYS A 48 1.965 6.576 7.087 1.00 7.68 C ATOM 758 O LYS A 48 1.995 5.434 6.583 1.00 6.47 O ATOM 759 CB LYS A 48 4.333 6.744 7.499 1.00 9.74 C ATOM 760 CG LYS A 48 4.767 7.775 6.381 1.00 14.14 C ATOM 761 CD LYS A 48 5.065 9.216 6.888 1.00 16.32 C ATOM 762 CE LYS A 48 6.310 9.437 7.759 1.00 20.04 C ATOM 763 NZ LYS A 48 7.551 9.178 7.024 1.00 23.92 N ATOM 0 H LYS A 48 3.119 5.133 9.066 1.00 10.47 H new ATOM 0 HA LYS A 48 2.883 7.992 8.451 1.00 8.82 H new ATOM 0 HB2 LYS A 48 5.079 6.768 8.294 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.358 5.743 7.069 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.657 7.392 5.881 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.978 7.827 5.631 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.150 9.865 6.016 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.198 9.555 7.455 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.316 10.462 8.129 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.263 8.784 8.631 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.365 9.339 7.650 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.559 8.192 6.693 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.610 9.818 6.207 1.00 23.92 H new ATOM 777 N GLN A 49 0.976 7.456 6.696 1.00 8.89 N ATOM 778 CA GLN A 49 0.012 7.169 5.597 1.00 7.18 C ATOM 779 C GLN A 49 0.587 7.615 4.224 1.00 8.23 C ATOM 780 O GLN A 49 1.012 8.753 4.032 1.00 9.70 O ATOM 781 CB GLN A 49 -1.300 7.905 5.758 1.00 11.67 C ATOM 782 CG GLN A 49 -2.395 7.422 4.782 1.00 15.82 C ATOM 783 CD GLN A 49 -3.632 8.255 5.086 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.507 7.705 5.823 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.693 9.502 4.561 1.00 20.67 N ATOM 0 H GLN A 49 0.836 8.367 7.134 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.155 6.093 5.641 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.655 7.781 6.781 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.132 8.971 5.606 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.080 7.556 3.747 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.598 6.360 4.919 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.930 9.848 3.979 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.501 10.095 4.748 1.00 20.67 H new ATOM 794 N LEU A 50 0.602 6.708 3.207 1.00 6.51 N ATOM 795 CA LEU A 50 1.521 6.833 2.078 1.00 7.41 C ATOM 796 C LEU A 50 0.967 7.506 0.787 1.00 8.27 C ATOM 797 O LEU A 50 0.075 6.966 0.129 1.00 8.34 O ATOM 798 CB LEU A 50 2.181 5.455 1.672 1.00 7.13 C ATOM 799 CG LEU A 50 2.743 4.593 2.808 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.087 3.190 2.351 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.008 5.236 3.431 1.00 9.11 C ATOM 0 H LEU A 50 -0.013 5.895 3.161 1.00 6.51 H new ATOM 0 HA LEU A 50 2.262 7.519 2.487 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.436 4.867 1.137 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.989 5.660 0.970 1.00 7.13 H new ATOM 0 HG LEU A 50 1.953 4.533 3.556 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.481 2.620 3.192 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.190 2.701 1.970 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.837 3.238 1.562 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.382 4.600 4.233 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.776 5.343 2.665 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.757 6.218 3.833 1.00 9.11 H new ATOM 813 N GLU A 51 1.389 8.741 0.440 1.00 9.43 N ATOM 814 CA GLU A 51 0.794 9.390 -0.739 1.00 11.90 C ATOM 815 C GLU A 51 1.235 8.770 -2.069 1.00 11.49 C ATOM 816 O GLU A 51 2.350 8.293 -2.356 1.00 9.88 O ATOM 817 CB GLU A 51 0.811 10.939 -0.645 1.00 16.56 C ATOM 818 CG GLU A 51 0.201 11.424 0.646 1.00 26.06 C ATOM 819 CD GLU A 51 0.113 12.886 0.715 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.354 13.572 -0.216 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.463 13.393 1.852 1.00 32.13 O ATOM 0 H GLU A 51 2.101 9.282 0.931 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.271 9.159 -0.730 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.838 11.297 -0.720 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.264 11.361 -1.488 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.797 10.998 0.754 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.796 11.060 1.484 1.00 26.06 H new ATOM 828 N ASP A 52 0.370 8.825 -3.093 1.00 12.71 N ATOM 829 CA ASP A 52 0.289 8.101 -4.336 1.00 16.56 C ATOM 830 C ASP A 52 1.484 8.252 -5.268 1.00 15.83 C ATOM 831 O ASP A 52 2.066 7.258 -5.740 1.00 17.21 O ATOM 832 CB ASP A 52 -1.096 8.395 -5.068 1.00 21.05 C ATOM 833 CG ASP A 52 -2.131 8.082 -4.091 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.527 6.883 -4.058 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.571 8.965 -3.313 1.00 25.82 O ATOM 0 H ASP A 52 -0.402 9.489 -3.040 1.00 12.71 H new ATOM 0 HA ASP A 52 0.327 7.048 -4.057 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.158 9.436 -5.385 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.204 7.782 -5.963 1.00 21.05 H new ATOM 840 N GLY A 53 1.960 9.522 -5.561 1.00 15.00 N ATOM 841 CA GLY A 53 3.075 9.802 -6.499 1.00 11.77 C ATOM 842 C GLY A 53 4.482 9.378 -6.082 1.00 11.10 C ATOM 843 O GLY A 53 5.381 9.093 -6.875 1.00 11.25 O ATOM 0 H GLY A 53 1.567 10.365 -5.143 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.846 9.314 -7.446 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.091 10.875 -6.689 1.00 11.77 H new ATOM 847 N ARG A 54 4.654 9.288 -4.737 1.00 8.53 N ATOM 848 CA ARG A 54 5.870 8.849 -4.118 1.00 9.05 C ATOM 849 C ARG A 54 6.310 7.479 -4.506 1.00 8.96 C ATOM 850 O ARG A 54 5.511 6.497 -4.442 1.00 11.60 O ATOM 851 CB ARG A 54 5.754 8.843 -2.565 1.00 7.97 C ATOM 852 CG ARG A 54 5.731 10.189 -1.855 1.00 9.62 C ATOM 853 CD ARG A 54 7.153 10.607 -1.627 1.00 12.20 C ATOM 854 NE ARG A 54 7.089 11.770 -0.682 1.00 18.23 N ATOM 855 CZ ARG A 54 8.178 12.419 -0.247 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.413 12.233 -0.777 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.005 13.294 0.700 1.00 23.38 N ATOM 0 H ARG A 54 3.923 9.529 -4.068 1.00 8.53 H new ATOM 0 HA ARG A 54 6.605 9.571 -4.475 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.843 8.307 -2.298 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.590 8.268 -2.168 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.206 10.930 -2.457 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.198 10.113 -0.907 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.738 9.790 -1.203 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.633 10.890 -2.564 1.00 12.20 H new ATOM 0 HE ARG A 54 6.174 12.081 -0.355 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.545 11.573 -1.544 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.210 12.753 -0.409 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.072 13.460 1.077 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.803 13.814 1.065 1.00 23.38 H new ATOM 871 N THR A 55 7.622 7.308 -4.664 1.00 9.05 N ATOM 872 CA THR A 55 8.239 6.026 -4.766 1.00 9.03 C ATOM 873 C THR A 55 8.412 5.343 -3.420 1.00 8.15 C ATOM 874 O THR A 55 8.746 5.979 -2.386 1.00 5.91 O ATOM 875 CB THR A 55 9.514 5.949 -5.717 1.00 11.15 C ATOM 876 OG1 THR A 55 10.722 6.501 -5.123 1.00 11.95 O ATOM 877 CG2 THR A 55 9.257 6.755 -7.020 1.00 11.71 C ATOM 0 H THR A 55 8.281 8.084 -4.724 1.00 9.05 H new ATOM 0 HA THR A 55 7.512 5.422 -5.309 1.00 9.03 H new ATOM 0 HB THR A 55 9.666 4.886 -5.904 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.372 5.783 -4.977 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.135 6.696 -7.663 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.396 6.338 -7.542 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.060 7.797 -6.770 1.00 11.71 H new ATOM 885 N LEU A 56 8.332 4.030 -3.381 1.00 6.91 N ATOM 886 CA LEU A 56 8.607 3.195 -2.229 1.00 8.29 C ATOM 887 C LEU A 56 9.983 3.483 -1.621 1.00 8.05 C ATOM 888 O LEU A 56 10.100 3.718 -0.414 1.00 10.17 O ATOM 889 CB LEU A 56 8.458 1.664 -2.653 1.00 6.60 C ATOM 890 CG LEU A 56 7.091 1.035 -2.947 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.260 -0.080 -4.012 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.428 0.568 -1.671 1.00 8.64 C ATOM 0 H LEU A 56 8.058 3.485 -4.198 1.00 6.91 H new ATOM 0 HA LEU A 56 7.883 3.425 -1.448 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.068 1.524 -3.545 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.913 1.072 -1.859 1.00 6.60 H new ATOM 0 HG LEU A 56 6.414 1.779 -3.368 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.290 -0.530 -4.224 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.669 0.349 -4.927 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.940 -0.844 -3.634 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.460 0.125 -1.905 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.059 -0.176 -1.184 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.287 1.417 -1.002 1.00 8.64 H new ATOM 904 N SER A 57 11.085 3.559 -2.480 1.00 8.92 N ATOM 905 CA SER A 57 12.397 4.099 -2.191 1.00 9.00 C ATOM 906 C SER A 57 12.495 5.453 -1.443 1.00 9.44 C ATOM 907 O SER A 57 13.293 5.607 -0.506 1.00 10.91 O ATOM 908 CB SER A 57 13.461 4.104 -3.354 1.00 10.32 C ATOM 909 OG SER A 57 13.062 4.899 -4.435 1.00 13.59 O ATOM 0 H SER A 57 11.026 3.211 -3.437 1.00 8.92 H new ATOM 0 HA SER A 57 12.659 3.314 -1.482 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.414 4.468 -2.970 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.625 3.083 -3.698 1.00 10.32 H new ATOM 0 HG SER A 57 13.751 4.874 -5.131 1.00 13.59 H new ATOM 915 N ASP A 58 11.584 6.352 -1.672 1.00 9.11 N ATOM 916 CA ASP A 58 11.600 7.766 -1.247 1.00 7.91 C ATOM 917 C ASP A 58 10.769 7.858 0.010 1.00 9.12 C ATOM 918 O ASP A 58 10.680 8.939 0.613 1.00 8.61 O ATOM 919 CB ASP A 58 10.866 8.452 -2.417 1.00 8.41 C ATOM 920 CG ASP A 58 11.104 9.894 -2.477 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.310 10.238 -2.508 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.171 10.707 -2.764 1.00 10.05 O ATOM 0 H ASP A 58 10.739 6.124 -2.197 1.00 9.11 H new ATOM 0 HA ASP A 58 12.582 8.194 -1.045 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.186 7.998 -3.355 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.795 8.270 -2.323 1.00 8.41 H new ATOM 927 N TYR A 59 10.237 6.731 0.544 1.00 7.97 N ATOM 928 CA TYR A 59 9.459 6.760 1.757 1.00 8.45 C ATOM 929 C TYR A 59 10.030 5.744 2.750 1.00 10.98 C ATOM 930 O TYR A 59 9.422 5.388 3.733 1.00 12.95 O ATOM 931 CB TYR A 59 8.084 6.163 1.316 1.00 7.94 C ATOM 932 CG TYR A 59 6.995 7.150 1.459 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.921 7.963 2.585 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.936 7.219 0.566 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.932 8.875 2.763 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.840 8.066 0.766 1.00 6.52 C ATOM 937 CZ TYR A 59 4.862 8.955 1.856 1.00 6.76 C ATOM 938 OH TYR A 59 3.787 9.897 1.947 1.00 7.63 O ATOM 0 H TYR A 59 10.346 5.802 0.136 1.00 7.97 H new ATOM 0 HA TYR A 59 9.428 7.755 2.201 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.145 5.834 0.279 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.859 5.282 1.917 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.680 7.865 3.347 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.958 6.596 -0.316 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.968 9.545 3.609 1.00 5.39 H new ATOM 0 HE2 TYR A 59 3.993 8.038 0.096 1.00 6.52 H new ATOM 0 HH TYR A 59 4.107 10.719 2.374 1.00 7.63 H new ATOM 948 N ASN A 60 11.251 5.211 2.418 1.00 12.38 N ATOM 949 CA ASN A 60 12.095 4.389 3.246 1.00 13.94 C ATOM 950 C ASN A 60 11.383 3.080 3.567 1.00 14.16 C ATOM 951 O ASN A 60 11.401 2.671 4.735 1.00 14.26 O ATOM 952 CB ASN A 60 12.611 5.088 4.505 1.00 19.23 C ATOM 953 CG ASN A 60 13.900 4.467 5.064 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.691 3.974 4.197 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.138 4.510 6.379 1.00 24.09 N ATOM 0 H ASN A 60 11.665 5.375 1.501 1.00 12.38 H new ATOM 0 HA ASN A 60 12.995 4.176 2.669 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.791 6.139 4.280 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.838 5.054 5.273 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.007 4.129 6.753 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.450 4.924 7.009 1.00 24.09 H new ATOM 962 N ILE A 61 10.838 2.444 2.529 1.00 11.08 N ATOM 963 CA ILE A 61 10.240 1.094 2.618 1.00 11.78 C ATOM 964 C ILE A 61 11.252 0.024 2.282 1.00 13.74 C ATOM 965 O ILE A 61 11.947 -0.039 1.276 1.00 14.60 O ATOM 966 CB ILE A 61 8.934 1.064 1.795 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.969 2.142 2.389 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.351 -0.344 1.594 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.700 2.418 1.587 1.00 11.42 C ATOM 0 H ILE A 61 10.795 2.847 1.593 1.00 11.08 H new ATOM 0 HA ILE A 61 9.953 0.862 3.643 1.00 11.78 H new ATOM 0 HB ILE A 61 9.133 1.339 0.759 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.680 1.829 3.392 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.520 3.077 2.493 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.435 -0.278 1.007 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.075 -0.966 1.068 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.128 -0.788 2.564 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.109 3.181 2.093 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.968 2.769 0.590 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.116 1.502 1.504 1.00 11.42 H new ATOM 981 N GLN A 62 11.417 -0.866 3.283 1.00 13.97 N ATOM 982 CA GLN A 62 12.482 -1.879 3.174 1.00 15.52 C ATOM 983 C GLN A 62 11.892 -3.262 2.869 1.00 13.94 C ATOM 984 O GLN A 62 10.672 -3.445 2.943 1.00 12.15 O ATOM 985 CB GLN A 62 13.279 -1.919 4.464 1.00 19.53 C ATOM 986 CG GLN A 62 13.976 -0.582 4.738 1.00 26.38 C ATOM 987 CD GLN A 62 15.235 -0.675 5.599 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.297 -0.441 5.077 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.149 -0.957 6.909 1.00 32.71 N ATOM 0 H GLN A 62 10.857 -0.905 4.134 1.00 13.97 H new ATOM 0 HA GLN A 62 13.142 -1.606 2.351 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.616 -2.161 5.295 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.023 -2.713 4.408 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.239 -0.124 3.784 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.268 0.086 5.228 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.241 -1.152 7.330 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.992 -0.976 7.483 1.00 32.71 H new ATOM 998 N LYS A 63 12.704 -4.302 2.507 1.00 11.73 N ATOM 999 CA LYS A 63 12.134 -5.567 2.298 1.00 11.97 C ATOM 1000 C LYS A 63 11.449 -6.261 3.489 1.00 10.41 C ATOM 1001 O LYS A 63 11.889 -6.171 4.652 1.00 9.59 O ATOM 1002 CB LYS A 63 13.165 -6.621 1.679 1.00 13.73 C ATOM 1003 CG LYS A 63 14.057 -7.433 2.824 1.00 16.98 C ATOM 1004 CD LYS A 63 14.792 -8.623 2.226 1.00 20.19 C ATOM 1005 CE LYS A 63 15.628 -9.401 3.231 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.939 -9.720 4.477 1.00 25.97 N ATOM 0 H LYS A 63 13.713 -4.243 2.371 1.00 11.73 H new ATOM 0 HA LYS A 63 11.343 -5.295 1.599 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.614 -7.345 1.079 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.844 -6.099 1.005 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.777 -6.750 3.276 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.399 -7.776 3.622 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.064 -9.297 1.775 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.441 -8.271 1.424 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.959 -10.330 2.766 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.523 -8.824 3.464 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.471 -10.452 4.990 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.871 -8.865 5.065 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.983 -10.071 4.265 1.00 25.97 H new ATOM 1020 N GLU A 64 10.340 -6.932 3.149 1.00 10.04 N ATOM 1021 CA GLU A 64 9.557 -7.633 4.144 1.00 10.94 C ATOM 1022 C GLU A 64 8.775 -6.650 5.062 1.00 9.74 C ATOM 1023 O GLU A 64 8.537 -6.986 6.217 1.00 9.42 O ATOM 1024 CB GLU A 64 10.371 -8.747 4.821 1.00 18.31 C ATOM 1025 CG GLU A 64 10.783 -9.942 3.883 1.00 24.16 C ATOM 1026 CD GLU A 64 11.548 -11.037 4.633 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.878 -11.804 5.360 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.767 -11.169 4.476 1.00 31.72 O ATOM 0 H GLU A 64 9.977 -6.997 2.198 1.00 10.04 H new ATOM 0 HA GLU A 64 8.753 -8.187 3.659 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.276 -8.309 5.243 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.791 -9.144 5.654 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.888 -10.371 3.432 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.401 -9.564 3.068 1.00 24.16 H new ATOM 1035 N SER A 65 8.475 -5.508 4.488 1.00 6.85 N ATOM 1036 CA SER A 65 7.742 -4.435 5.191 1.00 6.90 C ATOM 1037 C SER A 65 6.298 -4.693 5.433 1.00 4.72 C ATOM 1038 O SER A 65 5.661 -5.207 4.511 1.00 3.91 O ATOM 1039 CB SER A 65 7.769 -3.037 4.559 1.00 7.28 C ATOM 1040 OG SER A 65 9.061 -2.468 4.763 1.00 10.56 O ATOM 0 H SER A 65 8.723 -5.279 3.525 1.00 6.85 H new ATOM 0 HA SER A 65 8.324 -4.449 6.113 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.548 -3.100 3.494 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.003 -2.405 5.007 1.00 7.28 H new ATOM 0 HG SER A 65 9.724 -2.965 4.239 1.00 10.56 H new ATOM 1046 N THR A 66 5.859 -4.367 6.666 1.00 4.48 N ATOM 1047 CA THR A 66 4.459 -4.624 7.152 1.00 3.80 C ATOM 1048 C THR A 66 3.630 -3.399 6.997 1.00 4.60 C ATOM 1049 O THR A 66 3.707 -2.479 7.787 1.00 5.33 O ATOM 1050 CB THR A 66 4.493 -4.887 8.649 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.343 -6.047 8.847 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.116 -5.222 9.215 1.00 3.40 C ATOM 0 H THR A 66 6.453 -3.918 7.363 1.00 4.48 H new ATOM 0 HA THR A 66 4.055 -5.462 6.584 1.00 3.80 H new ATOM 0 HB THR A 66 4.852 -3.991 9.155 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.396 -6.254 9.803 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.197 -5.401 10.287 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.437 -4.389 9.036 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.729 -6.116 8.726 1.00 3.40 H new ATOM 1060 N LEU A 67 2.811 -3.401 5.968 1.00 4.17 N ATOM 1061 CA LEU A 67 1.959 -2.322 5.647 1.00 3.85 C ATOM 1062 C LEU A 67 0.550 -2.632 6.106 1.00 3.80 C ATOM 1063 O LEU A 67 0.193 -3.843 6.179 1.00 5.54 O ATOM 1064 CB LEU A 67 1.912 -2.109 4.164 1.00 7.18 C ATOM 1065 CG LEU A 67 3.090 -1.333 3.425 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.498 -1.825 3.606 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.706 -1.076 1.965 1.00 11.66 C ATOM 0 H LEU A 67 2.732 -4.187 5.323 1.00 4.17 H new ATOM 0 HA LEU A 67 2.345 -1.431 6.141 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.832 -3.092 3.699 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.987 -1.576 3.944 1.00 7.18 H new ATOM 0 HG LEU A 67 3.168 -0.389 3.964 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.180 -1.191 3.040 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.763 -1.790 4.663 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.574 -2.851 3.247 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.515 -0.545 1.464 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.530 -2.027 1.462 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.799 -0.473 1.928 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.279 -1.644 6.495 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.611 -1.950 6.931 1.00 4.17 C ATOM 1081 C HIS A 68 -2.530 -1.393 5.891 1.00 5.32 C ATOM 1082 O HIS A 68 -2.265 -0.308 5.497 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.975 -1.320 8.235 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.030 -1.891 9.327 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.211 -1.297 9.600 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.002 -3.109 9.905 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.906 -2.136 10.352 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.224 -3.235 10.629 1.00 16.30 N ATOM 0 H HIS A 68 -0.036 -0.653 6.509 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.686 -3.029 7.066 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.876 -0.236 8.175 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -3.015 -1.532 8.483 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.774 -3.861 9.833 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.911 -1.946 10.698 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.511 -4.007 11.230 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.602 -2.102 5.378 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.447 -1.527 4.372 1.00 3.97 C ATOM 1098 C LEU A 69 -5.678 -0.835 5.115 1.00 5.07 C ATOM 1099 O LEU A 69 -6.329 -1.474 6.011 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.046 -2.612 3.451 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.961 -2.095 2.306 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.247 -1.093 1.440 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.357 -3.329 1.511 1.00 9.96 C ATOM 0 H LEU A 69 -3.859 -3.046 5.665 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.854 -0.831 3.779 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.227 -3.179 3.009 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.620 -3.307 4.064 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.834 -1.575 2.699 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.916 -0.753 0.650 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.939 -0.241 2.047 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.367 -1.558 0.995 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.005 -3.037 0.685 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.462 -3.811 1.117 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.888 -4.025 2.160 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.060 0.379 4.763 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.092 1.163 5.378 1.00 6.26 C ATOM 1117 C VAL A 70 -7.980 1.557 4.273 1.00 9.22 C ATOM 1118 O VAL A 70 -7.509 1.796 3.164 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.687 2.314 6.303 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.833 3.159 6.684 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.043 1.722 7.581 1.00 8.54 C ATOM 0 H VAL A 70 -5.620 0.869 3.984 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.588 0.547 6.128 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.982 2.946 5.763 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.492 3.960 7.340 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.281 3.589 5.789 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.574 2.553 7.206 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.750 2.532 8.249 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.763 1.078 8.086 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.163 1.139 7.309 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.325 1.661 4.472 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.265 1.944 3.407 1.00 16.06 C ATOM 1133 C LEU A 71 -11.045 3.222 3.582 1.00 18.09 C ATOM 1134 O LEU A 71 -11.702 3.597 4.543 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.173 0.768 2.991 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.485 -0.562 2.688 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.352 -1.787 2.382 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.427 -0.457 1.564 1.00 19.57 C ATOM 0 H LEU A 71 -9.764 1.547 5.386 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.599 2.104 2.559 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.898 0.601 3.787 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.734 1.069 2.106 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.039 -0.748 3.665 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.711 -2.647 2.189 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.997 -1.999 3.235 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.966 -1.588 1.504 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.975 -1.435 1.397 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.905 -0.116 0.645 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.655 0.254 1.857 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.963 4.011 2.567 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.605 5.290 2.405 1.00 25.83 C ATOM 1152 C ARG A 72 -13.000 5.071 1.787 1.00 27.74 C ATOM 1153 O ARG A 72 -13.088 4.117 1.037 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.711 6.100 1.402 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.431 7.423 0.974 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.373 8.299 0.319 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.998 9.585 -0.043 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.397 10.563 -0.746 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.158 10.554 -1.122 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.207 11.598 -1.034 1.00 35.02 N ATOM 0 H ARG A 72 -10.399 3.766 1.754 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.718 5.815 3.353 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.753 6.334 1.866 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.499 5.493 0.522 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.245 7.214 0.280 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.868 7.923 1.838 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.538 8.461 1.001 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.970 7.809 -0.568 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.958 9.745 0.262 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.559 9.762 -0.887 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.781 11.338 -1.654 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.178 11.588 -0.722 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.850 12.393 -1.564 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.005 5.890 2.119 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.273 5.835 1.404 1.00 30.76 C ATOM 1176 C LEU A 73 -15.293 6.362 -0.050 1.00 32.18 C ATOM 1177 O LEU A 73 -14.597 7.297 -0.434 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.406 6.550 2.143 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.605 6.131 3.628 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.689 6.904 4.326 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.946 4.675 3.815 1.00 29.11 C ATOM 0 H LEU A 73 -13.962 6.584 2.865 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.422 4.756 1.361 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.219 7.623 2.108 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.337 6.371 1.605 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.630 6.348 4.064 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.774 6.561 5.357 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.443 7.966 4.316 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.637 6.746 3.812 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.068 4.464 4.877 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.874 4.448 3.291 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.142 4.058 3.413 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.039 5.597 -0.939 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.064 5.826 -2.409 1.00 35.33 C ATOM 1195 C ARG A 74 -16.804 7.105 -2.757 1.00 36.22 C ATOM 1196 O ARG A 74 -16.442 7.906 -3.619 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.555 4.559 -3.214 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.947 4.606 -4.605 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.561 3.459 -5.411 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.083 3.624 -6.814 1.00 41.13 N ATOM 1201 CZ ARG A 74 -15.631 2.615 -7.537 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.076 1.410 -7.280 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.802 2.786 -8.556 1.00 41.93 N ATOM 0 H ARG A 74 -16.626 4.818 -0.641 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.035 5.976 -2.737 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.256 3.645 -2.701 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.643 4.548 -3.276 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.153 5.564 -5.082 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.863 4.502 -4.554 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -16.254 2.494 -5.008 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.650 3.492 -5.366 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.106 4.554 -7.232 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.757 1.266 -6.535 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.741 0.616 -7.825 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.490 3.724 -8.807 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.476 1.980 -9.089 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.907 7.421 -1.984 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.604 8.697 -2.099 1.00 36.07 C ATOM 1219 C GLY A 75 -17.831 9.871 -1.467 1.00 36.16 C ATOM 1220 O GLY A 75 -18.234 11.056 -1.572 1.00 36.26 O ATOM 0 H GLY A 75 -18.306 6.791 -1.288 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.782 8.913 -3.153 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.580 8.614 -1.622 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.640 9.657 -0.798 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.764 10.708 -0.271 1.00 36.19 C ATOM 1226 C GLY A 76 -14.250 10.562 -0.500 1.00 36.20 C ATOM 1227 O GLY A 76 -13.834 10.657 -1.674 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.471 10.415 0.485 1.00 0.00 O ATOM 0 H GLY A 76 -16.280 8.719 -0.621 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.079 11.656 -0.707 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.935 10.779 0.803 1.00 36.19 H new TER 1232 GLY A 76