USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 462 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 6 SER OG : rot -60:sc= -3.04! USER MOD Set 1.2: A 48 MET CE :methyl -136:sc= -3.48! (180deg=-4.52!) USER MOD Set 1.3: A 51 LYS NZ :NH3+ -149:sc= -3.47! (180deg=-0.606!) USER MOD Set 2.1: A 32 TYR OH : rot 161:sc= -1.16! USER MOD Set 2.2: A 65 HIS : no HD1:sc= -3.58! C(o=-4.7!,f=-11!) USER MOD Set 3.1: A 20 TYR OH : rot -150:sc= 0.106 USER MOD Set 3.2: A 62 ASN : amide:sc= 0.0901 X(o=0.2,f=0.062) USER MOD Set 4.1: A 9 THR OG1 : rot -106:sc= 0.418 USER MOD Set 4.2: A 11 ASN : amide:sc= -4.18! C(o=-3.8!,f=-12!) USER MOD Set 5.1: A 5 THR OG1 : rot 3:sc= 0.0562 USER MOD Set 5.2: A 64 SER OG : rot 180:sc= 0.254 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0913 (180deg=-0.809) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.0133 (180deg=-0.421) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 105:sc= -0.0711! USER MOD Single : A 25 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -11.5! C(o=-11!,f=-18!) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.04! C(o=-3.4!,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -0.0921 (180deg=-0.694) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.199 -0.242 -2.121 1.00 0.00 N ATOM 2 CA MET A 1 3.866 -0.831 -2.431 1.00 0.00 C ATOM 3 C MET A 1 4.026 -2.322 -2.716 1.00 0.00 C ATOM 4 O MET A 1 5.062 -2.759 -3.217 1.00 0.00 O ATOM 5 CB MET A 1 3.269 -0.125 -3.649 1.00 0.00 C ATOM 6 CG MET A 1 2.894 1.311 -3.274 1.00 0.00 C ATOM 7 SD MET A 1 2.347 2.200 -4.751 1.00 0.00 S ATOM 8 CE MET A 1 0.787 1.312 -4.983 1.00 0.00 C ATOM 0 H1 MET A 1 5.165 0.224 -1.192 1.00 0.00 H new ATOM 0 H2 MET A 1 5.916 -0.995 -2.105 1.00 0.00 H new ATOM 0 H3 MET A 1 5.448 0.457 -2.850 1.00 0.00 H new ATOM 0 HA MET A 1 3.197 -0.700 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.987 -0.122 -4.469 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.388 -0.663 -3.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.102 1.307 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.751 1.817 -2.829 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.093 1.936 -5.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.972 0.389 -5.532 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.355 1.076 -4.011 1.00 0.00 H new ATOM 16 N THR A 2 2.994 -3.096 -2.392 1.00 0.00 N ATOM 17 CA THR A 2 3.031 -4.538 -2.613 1.00 0.00 C ATOM 18 C THR A 2 2.922 -4.859 -4.103 1.00 0.00 C ATOM 19 O THR A 2 2.066 -4.319 -4.803 1.00 0.00 O ATOM 20 CB THR A 2 1.886 -5.213 -1.858 1.00 0.00 C ATOM 21 OG1 THR A 2 2.009 -4.935 -0.469 1.00 0.00 O ATOM 22 CG2 THR A 2 1.946 -6.725 -2.085 1.00 0.00 C ATOM 0 H THR A 2 2.128 -2.752 -1.978 1.00 0.00 H new ATOM 0 HA THR A 2 3.983 -4.917 -2.242 1.00 0.00 H new ATOM 0 HB THR A 2 0.933 -4.830 -2.223 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.275 -5.365 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 2 1.130 -7.206 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.853 -6.937 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.898 -7.110 -1.720 1.00 0.00 H new ATOM 30 N THR A 3 3.798 -5.741 -4.576 1.00 0.00 N ATOM 31 CA THR A 3 3.798 -6.132 -5.982 1.00 0.00 C ATOM 32 C THR A 3 3.527 -7.624 -6.127 1.00 0.00 C ATOM 33 O THR A 3 4.168 -8.446 -5.475 1.00 0.00 O ATOM 34 CB THR A 3 5.150 -5.793 -6.614 1.00 0.00 C ATOM 35 OG1 THR A 3 5.369 -4.392 -6.545 1.00 0.00 O ATOM 36 CG2 THR A 3 5.164 -6.249 -8.074 1.00 0.00 C ATOM 0 H THR A 3 4.514 -6.196 -4.009 1.00 0.00 H new ATOM 0 HA THR A 3 3.007 -5.583 -6.492 1.00 0.00 H new ATOM 0 HB THR A 3 5.943 -6.308 -6.071 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.236 -4.176 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.128 -6.006 -8.522 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.003 -7.326 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.371 -5.740 -8.622 1.00 0.00 H new ATOM 44 N PHE A 4 2.574 -7.962 -6.988 1.00 0.00 N ATOM 45 CA PHE A 4 2.218 -9.358 -7.213 1.00 0.00 C ATOM 46 C PHE A 4 2.724 -9.827 -8.572 1.00 0.00 C ATOM 47 O PHE A 4 2.615 -9.111 -9.568 1.00 0.00 O ATOM 48 CB PHE A 4 0.698 -9.517 -7.152 1.00 0.00 C ATOM 49 CG PHE A 4 0.206 -9.191 -5.763 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.195 -7.886 -5.450 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.147 -10.192 -4.788 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.652 -7.583 -4.161 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.312 -9.891 -3.500 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.710 -8.586 -3.186 1.00 0.00 C ATOM 0 H PHE A 4 2.037 -7.293 -7.539 1.00 0.00 H new ATOM 0 HA PHE A 4 2.683 -9.965 -6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.225 -8.858 -7.880 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.419 -10.537 -7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.152 -7.113 -6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.456 -11.198 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.959 -6.576 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.359 -10.665 -2.749 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.062 -8.353 -2.192 1.00 0.00 H new ATOM 64 N THR A 5 3.284 -11.031 -8.604 1.00 0.00 N ATOM 65 CA THR A 5 3.812 -11.582 -9.846 1.00 0.00 C ATOM 66 C THR A 5 3.296 -13.000 -10.080 1.00 0.00 C ATOM 67 O THR A 5 2.878 -13.685 -9.146 1.00 0.00 O ATOM 68 CB THR A 5 5.339 -11.595 -9.791 1.00 0.00 C ATOM 69 OG1 THR A 5 5.766 -12.428 -8.723 1.00 0.00 O ATOM 70 CG2 THR A 5 5.857 -10.172 -9.570 1.00 0.00 C ATOM 0 H THR A 5 3.384 -11.640 -7.792 1.00 0.00 H new ATOM 0 HA THR A 5 3.476 -10.954 -10.671 1.00 0.00 H new ATOM 0 HB THR A 5 5.733 -11.980 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.985 -12.837 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.946 -10.183 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.530 -9.534 -10.391 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.464 -9.784 -8.630 1.00 0.00 H new ATOM 78 N SER A 6 3.331 -13.433 -11.338 1.00 0.00 N ATOM 79 CA SER A 6 2.867 -14.771 -11.691 1.00 0.00 C ATOM 80 C SER A 6 3.518 -15.254 -12.985 1.00 0.00 C ATOM 81 O SER A 6 4.040 -14.458 -13.764 1.00 0.00 O ATOM 82 CB SER A 6 1.347 -14.765 -11.859 1.00 0.00 C ATOM 83 OG SER A 6 1.003 -13.971 -12.987 1.00 0.00 O ATOM 0 H SER A 6 3.673 -12.881 -12.124 1.00 0.00 H new ATOM 0 HA SER A 6 3.148 -15.451 -10.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.980 -15.783 -11.991 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.872 -14.368 -10.962 1.00 0.00 H new ATOM 0 HG SER A 6 1.320 -13.054 -12.851 1.00 0.00 H new ATOM 89 N ILE A 7 3.476 -16.566 -13.207 1.00 0.00 N ATOM 90 CA ILE A 7 4.055 -17.161 -14.407 1.00 0.00 C ATOM 91 C ILE A 7 3.256 -18.402 -14.794 1.00 0.00 C ATOM 92 O ILE A 7 2.573 -18.986 -13.952 1.00 0.00 O ATOM 93 CB ILE A 7 5.513 -17.544 -14.153 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.205 -17.831 -15.487 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.566 -18.796 -13.275 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.234 -16.555 -16.331 1.00 0.00 C ATOM 0 H ILE A 7 3.046 -17.237 -12.570 1.00 0.00 H new ATOM 0 HA ILE A 7 4.018 -16.435 -15.220 1.00 0.00 H new ATOM 0 HB ILE A 7 6.021 -16.722 -13.648 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.220 -18.188 -15.313 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.676 -18.621 -16.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.605 -19.069 -13.094 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.073 -18.595 -12.324 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.058 -19.617 -13.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.727 -16.759 -17.282 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.214 -16.218 -16.516 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.782 -15.778 -15.797 1.00 0.00 H new ATOM 108 N VAL A 8 3.326 -18.804 -16.060 1.00 0.00 N ATOM 109 CA VAL A 8 2.577 -19.976 -16.498 1.00 0.00 C ATOM 110 C VAL A 8 3.465 -21.219 -16.541 1.00 0.00 C ATOM 111 O VAL A 8 4.263 -21.404 -17.461 1.00 0.00 O ATOM 112 CB VAL A 8 1.989 -19.726 -17.887 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.212 -20.962 -18.345 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.041 -18.525 -17.829 1.00 0.00 C ATOM 0 H VAL A 8 3.880 -18.348 -16.785 1.00 0.00 H new ATOM 0 HA VAL A 8 1.776 -20.150 -15.780 1.00 0.00 H new ATOM 0 HB VAL A 8 2.796 -19.523 -18.591 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.793 -20.782 -19.335 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.883 -21.820 -18.385 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.405 -21.166 -17.641 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.621 -18.345 -18.818 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.235 -18.731 -17.124 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.591 -17.643 -17.503 1.00 0.00 H new ATOM 124 N THR A 9 3.282 -22.078 -15.547 1.00 0.00 N ATOM 125 CA THR A 9 4.018 -23.336 -15.454 1.00 0.00 C ATOM 126 C THR A 9 3.177 -24.321 -14.663 1.00 0.00 C ATOM 127 O THR A 9 2.329 -23.901 -13.875 1.00 0.00 O ATOM 128 CB THR A 9 5.350 -23.130 -14.732 1.00 0.00 C ATOM 129 OG1 THR A 9 6.210 -24.224 -15.015 1.00 0.00 O ATOM 130 CG2 THR A 9 5.099 -23.065 -13.224 1.00 0.00 C ATOM 0 H THR A 9 2.622 -21.925 -14.784 1.00 0.00 H new ATOM 0 HA THR A 9 4.220 -23.711 -16.458 1.00 0.00 H new ATOM 0 HB THR A 9 5.812 -22.202 -15.070 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.269 -24.806 -14.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.045 -22.918 -12.704 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.430 -22.234 -13.002 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.642 -23.997 -12.891 1.00 0.00 H new ATOM 138 N THR A 10 3.400 -25.619 -14.822 1.00 0.00 N ATOM 139 CA THR A 10 2.610 -26.551 -14.036 1.00 0.00 C ATOM 140 C THR A 10 3.493 -27.524 -13.269 1.00 0.00 C ATOM 141 O THR A 10 3.867 -28.582 -13.775 1.00 0.00 O ATOM 142 CB THR A 10 1.681 -27.339 -14.961 1.00 0.00 C ATOM 143 OG1 THR A 10 1.388 -28.598 -14.373 1.00 0.00 O ATOM 144 CG2 THR A 10 2.363 -27.550 -16.315 1.00 0.00 C ATOM 0 H THR A 10 4.085 -26.033 -15.454 1.00 0.00 H new ATOM 0 HA THR A 10 2.030 -25.975 -13.315 1.00 0.00 H new ATOM 0 HB THR A 10 0.755 -26.782 -15.108 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.477 -28.586 -14.011 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.700 -28.112 -16.973 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.586 -26.582 -16.765 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.289 -28.106 -16.173 1.00 0.00 H new ATOM 152 N ASN A 11 3.820 -27.147 -12.039 1.00 0.00 N ATOM 153 CA ASN A 11 4.660 -27.969 -11.182 1.00 0.00 C ATOM 154 C ASN A 11 4.212 -27.864 -9.736 1.00 0.00 C ATOM 155 O ASN A 11 4.957 -27.404 -8.871 1.00 0.00 O ATOM 156 CB ASN A 11 6.121 -27.535 -11.314 1.00 0.00 C ATOM 157 CG ASN A 11 6.213 -26.013 -11.301 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.886 -25.365 -12.295 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.639 -25.401 -10.233 1.00 0.00 N ATOM 0 H ASN A 11 3.514 -26.273 -11.613 1.00 0.00 H new ATOM 0 HA ASN A 11 4.567 -29.009 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.708 -27.951 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.543 -27.926 -12.240 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.702 -24.383 -10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.910 -25.940 -9.410 1.00 0.00 H new ATOM 166 N PRO A 12 3.015 -28.296 -9.466 1.00 0.00 N ATOM 167 CA PRO A 12 2.442 -28.275 -8.096 1.00 0.00 C ATOM 168 C PRO A 12 3.353 -28.979 -7.098 1.00 0.00 C ATOM 169 O PRO A 12 3.611 -30.178 -7.206 1.00 0.00 O ATOM 170 CB PRO A 12 1.104 -29.020 -8.240 1.00 0.00 C ATOM 171 CG PRO A 12 1.154 -29.695 -9.574 1.00 0.00 C ATOM 172 CD PRO A 12 2.076 -28.847 -10.441 1.00 0.00 C ATOM 0 HA PRO A 12 2.322 -27.261 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.973 -29.747 -7.439 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.263 -28.328 -8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.533 -30.713 -9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.159 -29.763 -10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.583 -29.445 -11.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.531 -28.063 -10.966 1.00 0.00 H new ATOM 180 N ASP A 13 3.830 -28.216 -6.127 1.00 0.00 N ATOM 181 CA ASP A 13 4.712 -28.758 -5.099 1.00 0.00 C ATOM 182 C ASP A 13 4.003 -28.805 -3.750 1.00 0.00 C ATOM 183 O ASP A 13 3.894 -27.794 -3.059 1.00 0.00 O ATOM 184 CB ASP A 13 5.970 -27.894 -4.985 1.00 0.00 C ATOM 185 CG ASP A 13 6.912 -28.482 -3.939 1.00 0.00 C ATOM 186 OD1 ASP A 13 6.518 -29.434 -3.285 1.00 0.00 O ATOM 187 OD2 ASP A 13 8.011 -27.973 -3.807 1.00 0.00 O ATOM 0 H ASP A 13 3.623 -27.222 -6.027 1.00 0.00 H new ATOM 0 HA ASP A 13 4.989 -29.773 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.473 -27.840 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.698 -26.875 -4.710 1.00 0.00 H new ATOM 192 N PHE A 14 3.532 -29.990 -3.377 1.00 0.00 N ATOM 193 CA PHE A 14 2.843 -30.164 -2.102 1.00 0.00 C ATOM 194 C PHE A 14 3.821 -30.027 -0.941 1.00 0.00 C ATOM 195 O PHE A 14 3.464 -29.547 0.135 1.00 0.00 O ATOM 196 CB PHE A 14 2.178 -31.541 -2.051 1.00 0.00 C ATOM 197 CG PHE A 14 0.986 -31.562 -2.975 1.00 0.00 C ATOM 198 CD1 PHE A 14 -0.273 -31.170 -2.504 1.00 0.00 C ATOM 199 CD2 PHE A 14 1.138 -31.974 -4.305 1.00 0.00 C ATOM 200 CE1 PHE A 14 -1.379 -31.192 -3.360 1.00 0.00 C ATOM 201 CE2 PHE A 14 0.030 -31.996 -5.162 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.229 -31.603 -4.689 1.00 0.00 C ATOM 0 H PHE A 14 3.613 -30.840 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 14 2.081 -29.389 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.891 -32.311 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.865 -31.767 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.390 -30.850 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.109 -32.275 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.350 -30.891 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.146 -32.316 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.083 -31.617 -5.350 1.00 0.00 H new ATOM 212 N GLY A 15 5.055 -30.466 -1.166 1.00 0.00 N ATOM 213 CA GLY A 15 6.083 -30.411 -0.133 1.00 0.00 C ATOM 214 C GLY A 15 6.372 -28.977 0.301 1.00 0.00 C ATOM 215 O GLY A 15 6.852 -28.745 1.411 1.00 0.00 O ATOM 0 H GLY A 15 5.367 -30.863 -2.052 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.763 -30.995 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.999 -30.870 -0.506 1.00 0.00 H new ATOM 219 N GLY A 16 6.078 -28.015 -0.568 1.00 0.00 N ATOM 220 CA GLY A 16 6.316 -26.616 -0.242 1.00 0.00 C ATOM 221 C GLY A 16 5.008 -25.840 -0.232 1.00 0.00 C ATOM 222 O GLY A 16 3.932 -26.422 -0.371 1.00 0.00 O ATOM 0 H GLY A 16 5.679 -28.177 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.797 -26.541 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.999 -26.178 -0.970 1.00 0.00 H new ATOM 226 N PHE A 17 5.102 -24.526 -0.077 1.00 0.00 N ATOM 227 CA PHE A 17 3.910 -23.694 -0.064 1.00 0.00 C ATOM 228 C PHE A 17 3.791 -22.927 -1.375 1.00 0.00 C ATOM 229 O PHE A 17 4.624 -22.074 -1.686 1.00 0.00 O ATOM 230 CB PHE A 17 3.966 -22.713 1.111 1.00 0.00 C ATOM 231 CG PHE A 17 5.201 -21.851 0.994 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.403 -22.270 1.575 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.143 -20.634 0.306 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.548 -21.472 1.469 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.288 -19.835 0.200 1.00 0.00 C ATOM 236 CZ PHE A 17 7.490 -20.253 0.781 1.00 0.00 C ATOM 0 H PHE A 17 5.980 -24.020 0.040 1.00 0.00 H new ATOM 0 HA PHE A 17 3.036 -24.336 0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.073 -22.088 1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.980 -23.260 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.447 -23.210 2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.215 -20.311 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.476 -21.796 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.243 -18.895 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.373 -19.636 0.699 1.00 0.00 H new ATOM 246 N GLU A 18 2.741 -23.222 -2.127 1.00 0.00 N ATOM 247 CA GLU A 18 2.502 -22.542 -3.395 1.00 0.00 C ATOM 248 C GLU A 18 1.016 -22.582 -3.738 1.00 0.00 C ATOM 249 O GLU A 18 0.349 -23.592 -3.511 1.00 0.00 O ATOM 250 CB GLU A 18 3.306 -23.208 -4.512 1.00 0.00 C ATOM 251 CG GLU A 18 4.799 -22.975 -4.273 1.00 0.00 C ATOM 252 CD GLU A 18 5.617 -23.713 -5.329 1.00 0.00 C ATOM 253 OE1 GLU A 18 5.033 -24.485 -6.070 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.817 -23.496 -5.377 1.00 0.00 O ATOM 0 H GLU A 18 2.042 -23.924 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 18 2.820 -21.504 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.094 -24.277 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.013 -22.799 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.020 -21.908 -4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.075 -23.323 -3.278 1.00 0.00 H new ATOM 261 N PHE A 19 0.496 -21.488 -4.285 1.00 0.00 N ATOM 262 CA PHE A 19 -0.914 -21.437 -4.646 1.00 0.00 C ATOM 263 C PHE A 19 -1.066 -21.390 -6.163 1.00 0.00 C ATOM 264 O PHE A 19 -0.469 -20.544 -6.829 1.00 0.00 O ATOM 265 CB PHE A 19 -1.575 -20.202 -4.034 1.00 0.00 C ATOM 266 CG PHE A 19 -3.066 -20.270 -4.269 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.885 -20.938 -3.349 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.628 -19.678 -5.406 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.265 -21.011 -3.567 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.009 -19.752 -5.623 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.828 -20.418 -4.704 1.00 0.00 C ATOM 0 H PHE A 19 1.022 -20.637 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.400 -22.333 -4.260 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.365 -20.154 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.165 -19.296 -4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.451 -21.396 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.996 -19.164 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.897 -21.525 -2.858 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.443 -19.295 -6.500 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.893 -20.475 -4.872 1.00 0.00 H new ATOM 281 N TYR A 20 -1.869 -22.300 -6.706 1.00 0.00 N ATOM 282 CA TYR A 20 -2.086 -22.340 -8.147 1.00 0.00 C ATOM 283 C TYR A 20 -3.574 -22.398 -8.472 1.00 0.00 C ATOM 284 O TYR A 20 -4.344 -23.071 -7.786 1.00 0.00 O ATOM 285 CB TYR A 20 -1.389 -23.562 -8.747 1.00 0.00 C ATOM 286 CG TYR A 20 0.095 -23.482 -8.486 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.923 -22.769 -9.361 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.645 -24.125 -7.371 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.300 -22.698 -9.119 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.021 -24.053 -7.128 1.00 0.00 C ATOM 291 CZ TYR A 20 2.850 -23.340 -8.003 1.00 0.00 C ATOM 292 OH TYR A 20 4.207 -23.271 -7.765 1.00 0.00 O ATOM 0 H TYR A 20 -2.374 -23.011 -6.177 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.668 -21.430 -8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.796 -24.475 -8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.577 -23.609 -9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.500 -22.274 -10.222 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.007 -24.677 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.939 -22.147 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.444 -24.547 -6.266 1.00 0.00 H new ATOM 0 HH TYR A 20 4.500 -24.084 -7.302 1.00 0.00 H new ATOM 302 N VAL A 21 -3.974 -21.696 -9.530 1.00 0.00 N ATOM 303 CA VAL A 21 -5.373 -21.685 -9.941 1.00 0.00 C ATOM 304 C VAL A 21 -5.603 -22.707 -11.046 1.00 0.00 C ATOM 305 O VAL A 21 -4.976 -22.642 -12.104 1.00 0.00 O ATOM 306 CB VAL A 21 -5.766 -20.296 -10.451 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.214 -20.327 -10.943 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.644 -19.274 -9.320 1.00 0.00 C ATOM 0 H VAL A 21 -3.355 -21.133 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.987 -21.939 -9.077 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.102 -20.014 -11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.496 -19.339 -11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.308 -21.052 -11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.871 -20.613 -10.122 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.925 -18.288 -9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.305 -19.557 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.615 -19.248 -8.963 1.00 0.00 H new ATOM 318 N GLU A 22 -6.506 -23.648 -10.800 1.00 0.00 N ATOM 319 CA GLU A 22 -6.811 -24.673 -11.790 1.00 0.00 C ATOM 320 C GLU A 22 -7.535 -24.057 -12.977 1.00 0.00 C ATOM 321 O GLU A 22 -8.380 -23.178 -12.809 1.00 0.00 O ATOM 322 CB GLU A 22 -7.690 -25.759 -11.166 1.00 0.00 C ATOM 323 CG GLU A 22 -6.872 -26.562 -10.155 1.00 0.00 C ATOM 324 CD GLU A 22 -7.780 -27.517 -9.389 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.257 -28.393 -8.720 1.00 0.00 O ATOM 326 OE2 GLU A 22 -8.987 -27.358 -9.483 1.00 0.00 O ATOM 0 H GLU A 22 -7.036 -23.723 -9.932 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.875 -25.116 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.551 -25.306 -10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.077 -26.419 -11.943 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.092 -27.123 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.373 -25.886 -9.460 1.00 0.00 H new ATOM 333 N ALA A 23 -7.199 -24.511 -14.179 1.00 0.00 N ATOM 334 CA ALA A 23 -7.835 -23.972 -15.371 1.00 0.00 C ATOM 335 C ALA A 23 -9.343 -23.941 -15.179 1.00 0.00 C ATOM 336 O ALA A 23 -9.956 -24.946 -14.821 1.00 0.00 O ATOM 337 CB ALA A 23 -7.489 -24.834 -16.587 1.00 0.00 C ATOM 0 H ALA A 23 -6.503 -25.237 -14.351 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.471 -22.958 -15.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.970 -24.422 -17.474 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.409 -24.843 -16.731 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.841 -25.852 -16.423 1.00 0.00 H new ATOM 343 N GLY A 24 -9.936 -22.775 -15.410 1.00 0.00 N ATOM 344 CA GLY A 24 -11.374 -22.621 -15.246 1.00 0.00 C ATOM 345 C GLY A 24 -11.741 -22.572 -13.766 1.00 0.00 C ATOM 346 O GLY A 24 -12.909 -22.713 -13.401 1.00 0.00 O ATOM 0 H GLY A 24 -9.448 -21.931 -15.709 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.706 -21.708 -15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.892 -23.450 -15.728 1.00 0.00 H new ATOM 350 N GLN A 25 -10.735 -22.371 -12.915 1.00 0.00 N ATOM 351 CA GLN A 25 -10.964 -22.307 -11.476 1.00 0.00 C ATOM 352 C GLN A 25 -10.813 -20.876 -10.975 1.00 0.00 C ATOM 353 O GLN A 25 -9.841 -20.194 -11.303 1.00 0.00 O ATOM 354 CB GLN A 25 -9.969 -23.214 -10.748 1.00 0.00 C ATOM 355 CG GLN A 25 -10.325 -23.269 -9.261 1.00 0.00 C ATOM 356 CD GLN A 25 -11.714 -23.871 -9.079 1.00 0.00 C ATOM 357 OE1 GLN A 25 -11.974 -24.985 -9.536 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.629 -23.197 -8.438 1.00 0.00 N ATOM 0 H GLN A 25 -9.762 -22.251 -13.196 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.980 -22.646 -11.272 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.993 -24.216 -11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.955 -22.837 -10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.588 -23.866 -8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.295 -22.266 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.412 -22.275 -8.060 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.561 -23.592 -8.315 1.00 0.00 H new ATOM 367 N GLN A 26 -11.781 -20.424 -10.188 1.00 0.00 N ATOM 368 CA GLN A 26 -11.743 -19.067 -9.660 1.00 0.00 C ATOM 369 C GLN A 26 -10.721 -18.951 -8.533 1.00 0.00 C ATOM 370 O GLN A 26 -10.787 -19.674 -7.538 1.00 0.00 O ATOM 371 CB GLN A 26 -13.123 -18.669 -9.137 1.00 0.00 C ATOM 372 CG GLN A 26 -13.078 -17.229 -8.619 1.00 0.00 C ATOM 373 CD GLN A 26 -14.469 -16.792 -8.175 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.273 -17.618 -7.744 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.803 -15.532 -8.256 1.00 0.00 N ATOM 0 H GLN A 26 -12.594 -20.971 -9.904 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.451 -18.397 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.864 -18.758 -9.931 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.429 -19.344 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.381 -17.156 -7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.711 -16.564 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.135 -14.849 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.732 -15.231 -7.962 1.00 0.00 H new ATOM 384 N PHE A 27 -9.780 -18.031 -8.702 1.00 0.00 N ATOM 385 CA PHE A 27 -8.745 -17.814 -7.701 1.00 0.00 C ATOM 386 C PHE A 27 -9.369 -17.436 -6.362 1.00 0.00 C ATOM 387 O PHE A 27 -10.113 -16.460 -6.266 1.00 0.00 O ATOM 388 CB PHE A 27 -7.813 -16.693 -8.167 1.00 0.00 C ATOM 389 CG PHE A 27 -6.844 -16.343 -7.063 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.725 -17.150 -6.829 1.00 0.00 C ATOM 391 CD2 PHE A 27 -7.067 -15.209 -6.273 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.828 -16.823 -5.806 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.171 -14.882 -5.249 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.050 -15.689 -5.015 1.00 0.00 C ATOM 0 H PHE A 27 -9.712 -17.425 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.178 -18.736 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.267 -17.007 -9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.396 -15.815 -8.444 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.554 -18.025 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.931 -14.586 -6.454 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.964 -17.446 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.344 -14.008 -4.639 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.358 -15.437 -4.225 1.00 0.00 H new ATOM 404 N ASP A 28 -9.065 -18.218 -5.332 1.00 0.00 N ATOM 405 CA ASP A 28 -9.604 -17.959 -4.004 1.00 0.00 C ATOM 406 C ASP A 28 -8.664 -17.061 -3.210 1.00 0.00 C ATOM 407 O ASP A 28 -7.639 -17.514 -2.701 1.00 0.00 O ATOM 408 CB ASP A 28 -9.806 -19.277 -3.254 1.00 0.00 C ATOM 409 CG ASP A 28 -10.409 -19.010 -1.879 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.534 -17.847 -1.526 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.738 -19.969 -1.202 1.00 0.00 O ATOM 0 H ASP A 28 -8.452 -19.031 -5.391 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.564 -17.454 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.462 -19.933 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.852 -19.794 -3.147 1.00 0.00 H new ATOM 416 N ASP A 29 -9.020 -15.785 -3.107 1.00 0.00 N ATOM 417 CA ASP A 29 -8.198 -14.835 -2.371 1.00 0.00 C ATOM 418 C ASP A 29 -8.303 -15.084 -0.871 1.00 0.00 C ATOM 419 O ASP A 29 -7.481 -14.595 -0.095 1.00 0.00 O ATOM 420 CB ASP A 29 -8.651 -13.408 -2.683 1.00 0.00 C ATOM 421 CG ASP A 29 -10.104 -13.219 -2.263 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.671 -14.156 -1.726 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.630 -12.142 -2.487 1.00 0.00 O ATOM 0 H ASP A 29 -9.864 -15.389 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.160 -14.966 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.016 -12.693 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.543 -13.208 -3.749 1.00 0.00 H new ATOM 428 N SER A 30 -9.312 -15.847 -0.468 1.00 0.00 N ATOM 429 CA SER A 30 -9.503 -16.152 0.944 1.00 0.00 C ATOM 430 C SER A 30 -8.322 -16.952 1.489 1.00 0.00 C ATOM 431 O SER A 30 -7.792 -16.646 2.552 1.00 0.00 O ATOM 432 CB SER A 30 -10.793 -16.950 1.136 1.00 0.00 C ATOM 433 OG SER A 30 -10.960 -17.248 2.516 1.00 0.00 O ATOM 0 H SER A 30 -10.004 -16.262 -1.092 1.00 0.00 H new ATOM 0 HA SER A 30 -9.571 -15.212 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.646 -16.378 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.754 -17.872 0.555 1.00 0.00 H new ATOM 0 HG SER A 30 -11.787 -17.758 2.643 1.00 0.00 H new ATOM 439 N ALA A 31 -7.920 -17.979 0.753 1.00 0.00 N ATOM 440 CA ALA A 31 -6.803 -18.821 1.171 1.00 0.00 C ATOM 441 C ALA A 31 -5.501 -18.026 1.223 1.00 0.00 C ATOM 442 O ALA A 31 -4.675 -18.225 2.113 1.00 0.00 O ATOM 443 CB ALA A 31 -6.645 -19.993 0.201 1.00 0.00 C ATOM 0 H ALA A 31 -8.347 -18.250 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.019 -19.195 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.810 -20.618 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.560 -20.586 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.453 -19.612 -0.802 1.00 0.00 H new ATOM 449 N TYR A 32 -5.318 -17.144 0.248 1.00 0.00 N ATOM 450 CA TYR A 32 -4.104 -16.340 0.166 1.00 0.00 C ATOM 451 C TYR A 32 -3.919 -15.466 1.407 1.00 0.00 C ATOM 452 O TYR A 32 -2.831 -15.420 1.982 1.00 0.00 O ATOM 453 CB TYR A 32 -4.155 -15.449 -1.075 1.00 0.00 C ATOM 454 CG TYR A 32 -2.882 -14.643 -1.164 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.847 -13.327 -0.688 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.736 -15.213 -1.730 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.665 -12.583 -0.776 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.554 -14.470 -1.816 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.517 -13.153 -1.340 1.00 0.00 C ATOM 460 OH TYR A 32 0.648 -12.420 -1.425 1.00 0.00 O ATOM 0 H TYR A 32 -5.993 -16.967 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.258 -17.025 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.276 -16.059 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.017 -14.784 -1.024 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.732 -12.886 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.764 -16.227 -2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.638 -11.568 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.331 -14.912 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 32 1.407 -13.026 -1.553 1.00 0.00 H new ATOM 470 N GLU A 33 -4.975 -14.769 1.813 1.00 0.00 N ATOM 471 CA GLU A 33 -4.885 -13.899 2.984 1.00 0.00 C ATOM 472 C GLU A 33 -4.743 -14.723 4.262 1.00 0.00 C ATOM 473 O GLU A 33 -4.110 -14.285 5.223 1.00 0.00 O ATOM 474 CB GLU A 33 -6.124 -13.004 3.079 1.00 0.00 C ATOM 475 CG GLU A 33 -7.322 -13.834 3.543 1.00 0.00 C ATOM 476 CD GLU A 33 -7.428 -13.790 5.063 1.00 0.00 C ATOM 477 OE1 GLU A 33 -6.872 -12.877 5.651 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.066 -14.669 5.618 1.00 0.00 O ATOM 0 H GLU A 33 -5.888 -14.787 1.359 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.000 -13.273 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.942 -12.187 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.335 -12.553 2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.238 -13.448 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.213 -14.865 3.207 1.00 0.00 H new ATOM 485 N GLU A 34 -5.335 -15.913 4.269 1.00 0.00 N ATOM 486 CA GLU A 34 -5.262 -16.777 5.444 1.00 0.00 C ATOM 487 C GLU A 34 -3.828 -17.182 5.735 1.00 0.00 C ATOM 488 O GLU A 34 -3.403 -17.200 6.891 1.00 0.00 O ATOM 489 CB GLU A 34 -6.094 -18.039 5.227 1.00 0.00 C ATOM 490 CG GLU A 34 -7.572 -17.672 5.223 1.00 0.00 C ATOM 491 CD GLU A 34 -8.022 -17.289 6.629 1.00 0.00 C ATOM 492 OE1 GLU A 34 -9.095 -16.723 6.753 1.00 0.00 O ATOM 493 OE2 GLU A 34 -7.285 -17.567 7.561 1.00 0.00 O ATOM 0 H GLU A 34 -5.864 -16.298 3.486 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.654 -16.214 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.822 -18.510 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.889 -18.764 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.746 -16.842 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.162 -18.514 4.861 1.00 0.00 H new ATOM 500 N ALA A 35 -3.082 -17.511 4.690 1.00 0.00 N ATOM 501 CA ALA A 35 -1.700 -17.917 4.871 1.00 0.00 C ATOM 502 C ALA A 35 -0.781 -16.700 4.855 1.00 0.00 C ATOM 503 O ALA A 35 0.092 -16.553 5.711 1.00 0.00 O ATOM 504 CB ALA A 35 -1.288 -18.890 3.765 1.00 0.00 C ATOM 0 H ALA A 35 -3.406 -17.505 3.723 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.610 -18.414 5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.250 -19.188 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.927 -19.772 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.393 -18.404 2.795 1.00 0.00 H new ATOM 510 N TYR A 36 -0.987 -15.833 3.870 1.00 0.00 N ATOM 511 CA TYR A 36 -0.177 -14.628 3.738 1.00 0.00 C ATOM 512 C TYR A 36 -0.582 -13.591 4.782 1.00 0.00 C ATOM 513 O TYR A 36 0.232 -12.765 5.199 1.00 0.00 O ATOM 514 CB TYR A 36 -0.337 -14.034 2.336 1.00 0.00 C ATOM 515 CG TYR A 36 0.349 -14.928 1.331 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.387 -15.889 0.627 1.00 0.00 C ATOM 517 CD2 TYR A 36 1.724 -14.795 1.102 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.251 -16.716 -0.305 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.363 -15.622 0.171 1.00 0.00 C ATOM 520 CZ TYR A 36 1.626 -16.582 -0.533 1.00 0.00 C ATOM 521 OH TYR A 36 2.255 -17.399 -1.451 1.00 0.00 O ATOM 0 H TYR A 36 -1.705 -15.941 3.154 1.00 0.00 H new ATOM 0 HA TYR A 36 0.867 -14.900 3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.394 -13.935 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.093 -13.033 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.448 -15.992 0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.292 -14.054 1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.317 -17.457 -0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.424 -15.520 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 36 3.208 -17.175 -1.489 1.00 0.00 H new ATOM 531 N GLY A 37 -1.841 -13.642 5.203 1.00 0.00 N ATOM 532 CA GLY A 37 -2.339 -12.704 6.201 1.00 0.00 C ATOM 533 C GLY A 37 -2.647 -11.349 5.572 1.00 0.00 C ATOM 534 O GLY A 37 -2.826 -10.355 6.275 1.00 0.00 O ATOM 0 H GLY A 37 -2.530 -14.317 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.239 -13.106 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.599 -12.582 6.992 1.00 0.00 H new ATOM 538 N VAL A 38 -2.716 -11.317 4.245 1.00 0.00 N ATOM 539 CA VAL A 38 -3.014 -10.074 3.546 1.00 0.00 C ATOM 540 C VAL A 38 -4.061 -10.295 2.458 1.00 0.00 C ATOM 541 O VAL A 38 -4.033 -11.298 1.745 1.00 0.00 O ATOM 542 CB VAL A 38 -1.739 -9.511 2.917 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.737 -9.163 4.020 1.00 0.00 C ATOM 544 CG2 VAL A 38 -1.127 -10.557 1.986 1.00 0.00 C ATOM 0 H VAL A 38 -2.572 -12.125 3.640 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.411 -9.364 4.272 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.980 -8.613 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.172 -8.762 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.173 -8.418 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.495 -10.061 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.218 -10.157 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.886 -11.454 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.840 -10.807 1.200 1.00 0.00 H new ATOM 554 N SER A 39 -4.988 -9.350 2.346 1.00 0.00 N ATOM 555 CA SER A 39 -6.051 -9.443 1.352 1.00 0.00 C ATOM 556 C SER A 39 -5.489 -9.309 -0.060 1.00 0.00 C ATOM 557 O SER A 39 -4.471 -8.651 -0.276 1.00 0.00 O ATOM 558 CB SER A 39 -7.091 -8.349 1.597 1.00 0.00 C ATOM 559 OG SER A 39 -6.517 -7.083 1.298 1.00 0.00 O ATOM 0 H SER A 39 -5.025 -8.514 2.929 1.00 0.00 H new ATOM 0 HA SER A 39 -6.522 -10.422 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.969 -8.520 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.426 -8.374 2.634 1.00 0.00 H new ATOM 0 HG SER A 39 -7.181 -6.378 1.452 1.00 0.00 H new ATOM 565 N VAL A 40 -6.167 -9.933 -1.017 1.00 0.00 N ATOM 566 CA VAL A 40 -5.740 -9.880 -2.411 1.00 0.00 C ATOM 567 C VAL A 40 -6.642 -8.935 -3.200 1.00 0.00 C ATOM 568 O VAL A 40 -7.851 -9.145 -3.280 1.00 0.00 O ATOM 569 CB VAL A 40 -5.796 -11.276 -3.033 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.303 -11.211 -4.480 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.906 -12.229 -2.234 1.00 0.00 C ATOM 0 H VAL A 40 -7.012 -10.480 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.714 -9.512 -2.446 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.824 -11.639 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.343 -12.206 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.938 -10.534 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.276 -10.847 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.947 -13.223 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.878 -11.866 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.258 -12.277 -1.203 1.00 0.00 H new ATOM 581 N PRO A 41 -6.082 -7.902 -3.769 1.00 0.00 N ATOM 582 CA PRO A 41 -6.859 -6.898 -4.557 1.00 0.00 C ATOM 583 C PRO A 41 -7.677 -7.549 -5.671 1.00 0.00 C ATOM 584 O PRO A 41 -7.203 -8.456 -6.355 1.00 0.00 O ATOM 585 CB PRO A 41 -5.773 -5.988 -5.141 1.00 0.00 C ATOM 586 CG PRO A 41 -4.619 -6.125 -4.208 1.00 0.00 C ATOM 587 CD PRO A 41 -4.649 -7.571 -3.725 1.00 0.00 C ATOM 0 HA PRO A 41 -7.588 -6.368 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.503 -6.293 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.113 -4.954 -5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.679 -5.900 -4.712 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.707 -5.431 -3.372 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.063 -8.225 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.242 -7.669 -2.719 1.00 0.00 H new ATOM 595 N SER A 42 -8.915 -7.093 -5.827 1.00 0.00 N ATOM 596 CA SER A 42 -9.811 -7.645 -6.839 1.00 0.00 C ATOM 597 C SER A 42 -9.226 -7.497 -8.239 1.00 0.00 C ATOM 598 O SER A 42 -9.338 -8.406 -9.061 1.00 0.00 O ATOM 599 CB SER A 42 -11.163 -6.938 -6.775 1.00 0.00 C ATOM 600 OG SER A 42 -12.026 -7.482 -7.766 1.00 0.00 O ATOM 0 H SER A 42 -9.321 -6.344 -5.267 1.00 0.00 H new ATOM 0 HA SER A 42 -9.938 -8.708 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.604 -7.061 -5.786 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.034 -5.868 -6.936 1.00 0.00 H new ATOM 0 HG SER A 42 -12.895 -7.031 -7.726 1.00 0.00 H new ATOM 606 N ALA A 43 -8.611 -6.353 -8.515 1.00 0.00 N ATOM 607 CA ALA A 43 -8.034 -6.124 -9.835 1.00 0.00 C ATOM 608 C ALA A 43 -6.977 -7.182 -10.139 1.00 0.00 C ATOM 609 O ALA A 43 -6.925 -7.715 -11.247 1.00 0.00 O ATOM 610 CB ALA A 43 -7.400 -4.734 -9.896 1.00 0.00 C ATOM 0 H ALA A 43 -8.500 -5.582 -7.856 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.829 -6.190 -10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.972 -4.572 -10.885 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.161 -3.978 -9.702 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.614 -4.659 -9.144 1.00 0.00 H new ATOM 616 N VAL A 44 -6.153 -7.498 -9.146 1.00 0.00 N ATOM 617 CA VAL A 44 -5.122 -8.515 -9.322 1.00 0.00 C ATOM 618 C VAL A 44 -5.766 -9.882 -9.540 1.00 0.00 C ATOM 619 O VAL A 44 -5.347 -10.651 -10.406 1.00 0.00 O ATOM 620 CB VAL A 44 -4.217 -8.565 -8.090 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.283 -9.771 -8.192 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.386 -7.283 -8.017 1.00 0.00 C ATOM 0 H VAL A 44 -6.177 -7.070 -8.220 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.523 -8.257 -10.196 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.829 -8.654 -7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.638 -9.807 -7.314 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.874 -10.685 -8.246 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.670 -9.682 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.741 -7.317 -7.139 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.774 -7.195 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.051 -6.422 -7.945 1.00 0.00 H new ATOM 632 N VAL A 45 -6.785 -10.170 -8.738 1.00 0.00 N ATOM 633 CA VAL A 45 -7.498 -11.441 -8.823 1.00 0.00 C ATOM 634 C VAL A 45 -8.186 -11.602 -10.173 1.00 0.00 C ATOM 635 O VAL A 45 -8.186 -12.692 -10.745 1.00 0.00 O ATOM 636 CB VAL A 45 -8.543 -11.531 -7.710 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.428 -12.758 -7.940 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.838 -11.657 -6.359 1.00 0.00 C ATOM 0 H VAL A 45 -7.137 -9.538 -8.019 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.766 -12.241 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.159 -10.632 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.173 -12.823 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.930 -12.669 -8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.812 -13.657 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.582 -11.721 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.222 -12.556 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.207 -10.784 -6.195 1.00 0.00 H new ATOM 648 N GLU A 46 -8.782 -10.524 -10.681 1.00 0.00 N ATOM 649 CA GLU A 46 -9.471 -10.603 -11.962 1.00 0.00 C ATOM 650 C GLU A 46 -8.498 -11.002 -13.062 1.00 0.00 C ATOM 651 O GLU A 46 -8.795 -11.878 -13.874 1.00 0.00 O ATOM 652 CB GLU A 46 -10.103 -9.251 -12.301 1.00 0.00 C ATOM 653 CG GLU A 46 -11.280 -8.985 -11.361 1.00 0.00 C ATOM 654 CD GLU A 46 -11.809 -7.572 -11.574 1.00 0.00 C ATOM 655 OE1 GLU A 46 -11.136 -6.803 -12.241 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.877 -7.276 -11.065 1.00 0.00 O ATOM 0 H GLU A 46 -8.801 -9.607 -10.235 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.253 -11.359 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.362 -8.458 -12.206 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.443 -9.247 -13.337 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.073 -9.710 -11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.965 -9.112 -10.325 1.00 0.00 H new ATOM 663 N GLU A 47 -7.333 -10.360 -13.091 1.00 0.00 N ATOM 664 CA GLU A 47 -6.340 -10.675 -14.109 1.00 0.00 C ATOM 665 C GLU A 47 -5.919 -12.132 -13.982 1.00 0.00 C ATOM 666 O GLU A 47 -5.787 -12.839 -14.981 1.00 0.00 O ATOM 667 CB GLU A 47 -5.118 -9.767 -13.951 1.00 0.00 C ATOM 668 CG GLU A 47 -5.492 -8.335 -14.340 1.00 0.00 C ATOM 669 CD GLU A 47 -5.984 -8.298 -15.784 1.00 0.00 C ATOM 670 OE1 GLU A 47 -5.304 -8.848 -16.634 1.00 0.00 O ATOM 671 OE2 GLU A 47 -7.032 -7.719 -16.015 1.00 0.00 O ATOM 0 H GLU A 47 -7.058 -9.631 -12.433 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.777 -10.511 -15.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.762 -9.794 -12.921 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.302 -10.125 -14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.268 -7.959 -13.673 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.628 -7.681 -14.225 1.00 0.00 H new ATOM 678 N MET A 48 -5.738 -12.586 -12.746 1.00 0.00 N ATOM 679 CA MET A 48 -5.365 -13.972 -12.508 1.00 0.00 C ATOM 680 C MET A 48 -6.499 -14.883 -12.957 1.00 0.00 C ATOM 681 O MET A 48 -6.272 -15.936 -13.552 1.00 0.00 O ATOM 682 CB MET A 48 -5.081 -14.192 -11.020 1.00 0.00 C ATOM 683 CG MET A 48 -3.803 -13.449 -10.629 1.00 0.00 C ATOM 684 SD MET A 48 -2.402 -14.130 -11.553 1.00 0.00 S ATOM 685 CE MET A 48 -1.139 -13.004 -10.910 1.00 0.00 C ATOM 0 H MET A 48 -5.843 -12.020 -11.904 1.00 0.00 H new ATOM 0 HA MET A 48 -4.464 -14.205 -13.075 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.919 -13.835 -10.422 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.973 -15.257 -10.813 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.909 -12.385 -10.840 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.627 -13.545 -9.558 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.506 -12.662 -11.729 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.621 -12.146 -10.441 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.528 -13.525 -10.173 1.00 0.00 H new ATOM 695 N ASN A 49 -7.728 -14.455 -12.672 1.00 0.00 N ATOM 696 CA ASN A 49 -8.908 -15.221 -13.054 1.00 0.00 C ATOM 697 C ASN A 49 -8.995 -15.327 -14.571 1.00 0.00 C ATOM 698 O ASN A 49 -9.324 -16.378 -15.119 1.00 0.00 O ATOM 699 CB ASN A 49 -10.166 -14.524 -12.531 1.00 0.00 C ATOM 700 CG ASN A 49 -10.213 -14.588 -11.009 1.00 0.00 C ATOM 701 OD1 ASN A 49 -10.206 -13.553 -10.343 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.267 -15.745 -10.414 1.00 0.00 N ATOM 0 H ASN A 49 -7.930 -13.585 -12.180 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.832 -16.220 -12.624 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.177 -13.484 -12.858 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.053 -14.999 -12.949 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.304 -15.794 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.273 -16.603 -10.966 1.00 0.00 H new ATOM 709 N ALA A 50 -8.691 -14.219 -15.241 1.00 0.00 N ATOM 710 CA ALA A 50 -8.731 -14.177 -16.696 1.00 0.00 C ATOM 711 C ALA A 50 -7.704 -15.134 -17.291 1.00 0.00 C ATOM 712 O ALA A 50 -7.983 -15.836 -18.263 1.00 0.00 O ATOM 713 CB ALA A 50 -8.448 -12.756 -17.185 1.00 0.00 C ATOM 0 H ALA A 50 -8.415 -13.342 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.726 -14.483 -17.021 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.480 -12.733 -18.274 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.201 -12.077 -16.786 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.461 -12.444 -16.844 1.00 0.00 H new ATOM 719 N LYS A 51 -6.511 -15.149 -16.704 1.00 0.00 N ATOM 720 CA LYS A 51 -5.444 -16.016 -17.189 1.00 0.00 C ATOM 721 C LYS A 51 -5.827 -17.485 -17.047 1.00 0.00 C ATOM 722 O LYS A 51 -5.566 -18.288 -17.941 1.00 0.00 O ATOM 723 CB LYS A 51 -4.158 -15.738 -16.408 1.00 0.00 C ATOM 724 CG LYS A 51 -3.612 -14.364 -16.805 1.00 0.00 C ATOM 725 CD LYS A 51 -2.261 -14.133 -16.128 1.00 0.00 C ATOM 726 CE LYS A 51 -2.468 -13.948 -14.623 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.158 -13.654 -13.975 1.00 0.00 N ATOM 0 H LYS A 51 -6.261 -14.576 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.283 -15.805 -18.246 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.356 -15.768 -15.337 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.418 -16.510 -16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.502 -14.304 -17.888 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.315 -13.584 -16.512 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.600 -14.980 -16.313 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.777 -13.252 -16.550 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.168 -13.133 -14.439 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.906 -14.848 -14.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.158 -14.030 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.393 -14.101 -14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.008 -12.625 -13.947 1.00 0.00 H new ATOM 741 N ALA A 52 -6.453 -17.833 -15.926 1.00 0.00 N ATOM 742 CA ALA A 52 -6.869 -19.211 -15.685 1.00 0.00 C ATOM 743 C ALA A 52 -7.865 -19.667 -16.745 1.00 0.00 C ATOM 744 O ALA A 52 -7.843 -20.816 -17.183 1.00 0.00 O ATOM 745 CB ALA A 52 -7.506 -19.329 -14.300 1.00 0.00 C ATOM 0 H ALA A 52 -6.682 -17.183 -15.174 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.987 -19.849 -15.736 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.814 -20.360 -14.128 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.782 -19.035 -13.540 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.377 -18.676 -14.243 1.00 0.00 H new ATOM 751 N ALA A 53 -8.734 -18.752 -17.153 1.00 0.00 N ATOM 752 CA ALA A 53 -9.738 -19.051 -18.166 1.00 0.00 C ATOM 753 C ALA A 53 -9.074 -19.448 -19.480 1.00 0.00 C ATOM 754 O ALA A 53 -9.566 -20.317 -20.201 1.00 0.00 O ATOM 755 CB ALA A 53 -10.632 -17.830 -18.391 1.00 0.00 C ATOM 0 H ALA A 53 -8.764 -17.796 -16.798 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.345 -19.885 -17.814 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.380 -18.061 -19.150 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.131 -17.567 -17.458 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.023 -16.990 -18.726 1.00 0.00 H new ATOM 761 N GLN A 54 -7.950 -18.806 -19.784 1.00 0.00 N ATOM 762 CA GLN A 54 -7.220 -19.098 -21.012 1.00 0.00 C ATOM 763 C GLN A 54 -6.286 -20.292 -20.823 1.00 0.00 C ATOM 764 O GLN A 54 -5.834 -20.895 -21.796 1.00 0.00 O ATOM 765 CB GLN A 54 -6.410 -17.872 -21.440 1.00 0.00 C ATOM 766 CG GLN A 54 -7.248 -17.017 -22.392 1.00 0.00 C ATOM 767 CD GLN A 54 -8.469 -16.466 -21.662 1.00 0.00 C ATOM 768 OE1 GLN A 54 -8.306 -15.714 -20.609 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -9.603 -16.727 -22.065 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.527 -18.084 -19.200 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.944 -19.347 -21.788 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.124 -17.288 -20.565 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.488 -18.185 -21.930 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.646 -16.196 -22.782 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.564 -17.614 -23.247 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.729 -17.315 -22.889 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.417 -16.355 -21.575 1.00 0.00 H new ATOM 778 N LEU A 55 -5.994 -20.623 -19.569 1.00 0.00 N ATOM 779 CA LEU A 55 -5.104 -21.746 -19.276 1.00 0.00 C ATOM 780 C LEU A 55 -5.768 -23.081 -19.598 1.00 0.00 C ATOM 781 O LEU A 55 -6.937 -23.302 -19.286 1.00 0.00 O ATOM 782 CB LEU A 55 -4.694 -21.725 -17.802 1.00 0.00 C ATOM 783 CG LEU A 55 -3.716 -20.576 -17.555 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.512 -20.391 -16.052 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.372 -20.906 -18.211 1.00 0.00 C ATOM 0 H LEU A 55 -6.354 -20.138 -18.747 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.220 -21.639 -19.905 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.575 -21.607 -17.171 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.232 -22.674 -17.530 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.119 -19.658 -17.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.815 -19.572 -15.878 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.468 -20.161 -15.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.108 -21.308 -15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.672 -20.089 -18.037 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.973 -21.824 -17.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.514 -21.040 -19.283 1.00 0.00 H new ATOM 797 N LYS A 56 -4.997 -23.965 -20.220 1.00 0.00 N ATOM 798 CA LYS A 56 -5.488 -25.287 -20.588 1.00 0.00 C ATOM 799 C LYS A 56 -5.148 -26.301 -19.500 1.00 0.00 C ATOM 800 O LYS A 56 -4.408 -25.994 -18.565 1.00 0.00 O ATOM 801 CB LYS A 56 -4.868 -25.728 -21.915 1.00 0.00 C ATOM 802 CG LYS A 56 -5.272 -24.747 -23.018 1.00 0.00 C ATOM 803 CD LYS A 56 -4.722 -25.232 -24.360 1.00 0.00 C ATOM 804 CE LYS A 56 -3.192 -25.181 -24.336 1.00 0.00 C ATOM 805 NZ LYS A 56 -2.743 -23.770 -24.166 1.00 0.00 N ATOM 0 H LYS A 56 -4.027 -23.789 -20.481 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.571 -25.235 -20.698 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.782 -25.765 -21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.202 -26.734 -22.168 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.358 -24.665 -23.066 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.887 -23.752 -22.793 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.059 -26.250 -24.556 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.104 -24.608 -25.168 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.810 -25.796 -23.521 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.789 -25.593 -25.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.774 -23.668 -24.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.378 -23.138 -24.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.764 -23.518 -23.157 1.00 0.00 H new ATOM 819 N ASP A 57 -5.686 -27.510 -19.627 1.00 0.00 N ATOM 820 CA ASP A 57 -5.424 -28.556 -18.646 1.00 0.00 C ATOM 821 C ASP A 57 -3.932 -28.864 -18.590 1.00 0.00 C ATOM 822 O ASP A 57 -3.223 -28.718 -19.586 1.00 0.00 O ATOM 823 CB ASP A 57 -6.197 -29.824 -19.014 1.00 0.00 C ATOM 824 CG ASP A 57 -7.686 -29.621 -18.761 1.00 0.00 C ATOM 825 OD1 ASP A 57 -8.028 -28.651 -18.105 1.00 0.00 O ATOM 826 OD2 ASP A 57 -8.463 -30.438 -19.227 1.00 0.00 O ATOM 0 H ASP A 57 -6.300 -27.788 -20.392 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.752 -28.206 -17.667 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.029 -30.071 -20.062 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.832 -30.666 -18.426 1.00 0.00 H new ATOM 831 N GLY A 58 -3.458 -29.282 -17.421 1.00 0.00 N ATOM 832 CA GLY A 58 -2.044 -29.599 -17.254 1.00 0.00 C ATOM 833 C GLY A 58 -1.226 -28.329 -17.045 1.00 0.00 C ATOM 834 O GLY A 58 -0.001 -28.339 -17.168 1.00 0.00 O ATOM 0 H GLY A 58 -4.025 -29.408 -16.583 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.914 -30.265 -16.401 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.680 -30.131 -18.133 1.00 0.00 H new ATOM 838 N GLU A 59 -1.913 -27.236 -16.726 1.00 0.00 N ATOM 839 CA GLU A 59 -1.240 -25.962 -16.499 1.00 0.00 C ATOM 840 C GLU A 59 -1.629 -25.380 -15.143 1.00 0.00 C ATOM 841 O GLU A 59 -2.767 -25.526 -14.697 1.00 0.00 O ATOM 842 CB GLU A 59 -1.607 -24.971 -17.604 1.00 0.00 C ATOM 843 CG GLU A 59 -1.012 -25.445 -18.929 1.00 0.00 C ATOM 844 CD GLU A 59 -1.443 -24.515 -20.058 1.00 0.00 C ATOM 845 OE1 GLU A 59 -0.922 -24.661 -21.151 1.00 0.00 O ATOM 846 OE2 GLU A 59 -2.287 -23.670 -19.811 1.00 0.00 O ATOM 0 H GLU A 59 -2.927 -27.207 -16.620 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.164 -26.138 -16.511 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.691 -24.888 -17.688 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.230 -23.979 -17.358 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.076 -25.468 -18.861 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.339 -26.463 -19.140 1.00 0.00 H new ATOM 853 N TRP A 60 -0.678 -24.709 -14.499 1.00 0.00 N ATOM 854 CA TRP A 60 -0.932 -24.093 -13.203 1.00 0.00 C ATOM 855 C TRP A 60 -0.451 -22.648 -13.206 1.00 0.00 C ATOM 856 O TRP A 60 0.603 -22.336 -13.761 1.00 0.00 O ATOM 857 CB TRP A 60 -0.207 -24.858 -12.093 1.00 0.00 C ATOM 858 CG TRP A 60 -0.806 -26.219 -11.930 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.325 -27.352 -12.487 1.00 0.00 C ATOM 860 CD2 TRP A 60 -1.977 -26.611 -11.155 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.126 -28.414 -12.108 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.159 -28.007 -11.288 1.00 0.00 C ATOM 863 CE3 TRP A 60 -2.891 -25.896 -10.361 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.209 -28.672 -10.655 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -3.949 -26.561 -9.721 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.106 -27.947 -9.867 1.00 0.00 C ATOM 0 H TRP A 60 0.270 -24.579 -14.852 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.006 -24.122 -13.018 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.853 -24.945 -12.333 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.277 -24.307 -11.155 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.544 -27.418 -13.125 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.972 -29.379 -12.399 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.778 -24.828 -10.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.328 -29.739 -10.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -4.645 -26.002 -9.113 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.920 -28.454 -9.370 1.00 0.00 H new ATOM 877 N LEU A 61 -1.218 -21.773 -12.574 1.00 0.00 N ATOM 878 CA LEU A 61 -0.853 -20.365 -12.498 1.00 0.00 C ATOM 879 C LEU A 61 -0.186 -20.096 -11.153 1.00 0.00 C ATOM 880 O LEU A 61 -0.640 -20.595 -10.124 1.00 0.00 O ATOM 881 CB LEU A 61 -2.100 -19.494 -12.652 1.00 0.00 C ATOM 882 CG LEU A 61 -1.695 -18.023 -12.625 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.734 -17.748 -13.782 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.944 -17.151 -12.781 1.00 0.00 C ATOM 0 H LEU A 61 -2.094 -22.011 -12.108 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.159 -20.122 -13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.606 -19.726 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.805 -19.704 -11.848 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.206 -17.791 -11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.440 -16.698 -13.769 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.152 -18.374 -13.676 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.228 -17.975 -14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.658 -16.099 -12.762 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.430 -17.378 -13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.634 -17.354 -11.962 1.00 0.00 H new ATOM 896 N ASN A 62 0.893 -19.321 -11.157 1.00 0.00 N ATOM 897 CA ASN A 62 1.598 -19.025 -9.915 1.00 0.00 C ATOM 898 C ASN A 62 1.294 -17.608 -9.441 1.00 0.00 C ATOM 899 O ASN A 62 1.463 -16.643 -10.186 1.00 0.00 O ATOM 900 CB ASN A 62 3.105 -19.186 -10.118 1.00 0.00 C ATOM 901 CG ASN A 62 3.844 -18.857 -8.826 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.325 -17.738 -8.652 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.964 -19.773 -7.903 1.00 0.00 N ATOM 0 H ASN A 62 1.294 -18.892 -11.991 1.00 0.00 H new ATOM 0 HA ASN A 62 1.256 -19.727 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.332 -20.207 -10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.445 -18.528 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.457 -19.561 -7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.564 -20.700 -8.049 1.00 0.00 H new ATOM 910 N VAL A 63 0.855 -17.489 -8.193 1.00 0.00 N ATOM 911 CA VAL A 63 0.539 -16.186 -7.620 1.00 0.00 C ATOM 912 C VAL A 63 1.464 -15.896 -6.443 1.00 0.00 C ATOM 913 O VAL A 63 1.592 -16.710 -5.529 1.00 0.00 O ATOM 914 CB VAL A 63 -0.915 -16.159 -7.147 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.225 -14.795 -6.528 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.844 -16.400 -8.340 1.00 0.00 C ATOM 0 H VAL A 63 0.710 -18.276 -7.561 1.00 0.00 H new ATOM 0 HA VAL A 63 0.681 -15.423 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.069 -16.940 -6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.261 -14.776 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.564 -14.622 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.071 -14.014 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.881 -16.381 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.690 -15.619 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.624 -17.372 -8.782 1.00 0.00 H new ATOM 926 N SER A 64 2.117 -14.739 -6.475 1.00 0.00 N ATOM 927 CA SER A 64 3.036 -14.359 -5.409 1.00 0.00 C ATOM 928 C SER A 64 3.146 -12.840 -5.332 1.00 0.00 C ATOM 929 O SER A 64 2.609 -12.128 -6.180 1.00 0.00 O ATOM 930 CB SER A 64 4.418 -14.961 -5.668 1.00 0.00 C ATOM 931 OG SER A 64 4.983 -14.356 -6.823 1.00 0.00 O ATOM 0 H SER A 64 2.028 -14.052 -7.223 1.00 0.00 H new ATOM 0 HA SER A 64 2.652 -14.740 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.065 -14.801 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.337 -16.039 -5.810 1.00 0.00 H new ATOM 0 HG SER A 64 5.870 -14.738 -6.992 1.00 0.00 H new ATOM 937 N HIS A 65 3.837 -12.345 -4.310 1.00 0.00 N ATOM 938 CA HIS A 65 3.997 -10.905 -4.142 1.00 0.00 C ATOM 939 C HIS A 65 5.386 -10.583 -3.605 1.00 0.00 C ATOM 940 O HIS A 65 6.065 -11.454 -3.059 1.00 0.00 O ATOM 941 CB HIS A 65 2.946 -10.376 -3.167 1.00 0.00 C ATOM 942 CG HIS A 65 3.265 -10.863 -1.781 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.990 -12.159 -1.371 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.841 -10.243 -0.701 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.397 -12.274 -0.095 1.00 0.00 C ATOM 946 NE2 HIS A 65 3.922 -11.137 0.363 1.00 0.00 N ATOM 0 H HIS A 65 4.290 -12.912 -3.593 1.00 0.00 H new ATOM 0 HA HIS A 65 3.870 -10.428 -5.114 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.930 -9.286 -3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.954 -10.715 -3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.180 -9.218 -0.680 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.309 -13.178 0.489 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.301 -10.960 1.293 1.00 0.00 H new ATOM 954 N GLU A 66 5.806 -9.331 -3.758 1.00 0.00 N ATOM 955 CA GLU A 66 7.116 -8.911 -3.281 1.00 0.00 C ATOM 956 C GLU A 66 6.971 -8.078 -2.011 1.00 0.00 C ATOM 957 O GLU A 66 6.150 -7.162 -1.951 1.00 0.00 O ATOM 958 CB GLU A 66 7.826 -8.090 -4.358 1.00 0.00 C ATOM 959 CG GLU A 66 9.219 -7.692 -3.861 1.00 0.00 C ATOM 960 CD GLU A 66 9.956 -6.911 -4.945 1.00 0.00 C ATOM 961 OE1 GLU A 66 11.085 -6.522 -4.701 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.379 -6.716 -6.002 1.00 0.00 O ATOM 0 H GLU A 66 5.261 -8.595 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 66 7.708 -9.798 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.908 -8.670 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.244 -7.199 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.133 -7.086 -2.959 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.787 -8.583 -3.593 1.00 0.00 H new ATOM 969 N ALA A 67 7.773 -8.396 -1.001 1.00 0.00 N ATOM 970 CA ALA A 67 7.723 -7.665 0.259 1.00 0.00 C ATOM 971 C ALA A 67 9.128 -7.463 0.817 1.00 0.00 C ATOM 972 O ALA A 67 9.903 -8.403 0.770 1.00 0.00 O ATOM 973 CB ALA A 67 6.874 -8.432 1.275 1.00 0.00 C ATOM 0 H ALA A 67 8.460 -9.149 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 67 7.274 -6.689 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.842 -7.879 2.214 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.862 -8.550 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.313 -9.415 1.448 1.00 0.00 H new TER 979 ALA A 67