USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 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 -1 HIS : no HE2:sc= -4.47! C(o=-4.4!,f=-8.5!) USER MOD Set 1.2: A -3 GLY N :NH3+ -150:sc= 0.111 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -132:sc= -3.64! (180deg=-4.85!) USER MOD Single : A 3 MET CE :methyl -160:sc= -0.137 (180deg=-0.707) USER MOD Single : A 6 LYS NZ :NH3+ -102:sc= 1.79 (180deg=-1.67) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.43 F(o=-2.6,f=-0.43) USER MOD Single : A 25 ASN : amide:sc= -8.63! C(o=-8.6!,f=-19!) USER MOD Single : A 26 SER OG : rot -10:sc= 0.451 USER MOD Single : A 31 MET CE :methyl 177:sc= -2.88 (180deg=-2.94) USER MOD Single : A 36 ASN :FLIP amide:sc= -5.43! C(o=-12!,f=-5.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 22:sc= -1.28! USER MOD Single : A 42 CYS SG : rot 100:sc= -2.82 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -98:sc= -1.03 USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.09) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0.812 K(o=0.81,f=-0.73) USER MOD Single : A 59 THR OG1 : rot 29:sc= -2.08 USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= -2.73! (180deg=-5.22!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 57:sc= 1.1 USER MOD Single : A 77 ASN :FLIP amide:sc= -2.01! C(o=-4!,f=-2!) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= -0.0591 (180deg=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -26.021 1.886 0.362 1.00 0.00 N ATOM 2 CA GLY A -3 -25.359 2.387 1.598 1.00 0.00 C ATOM 3 C GLY A -3 -24.392 1.378 2.187 1.00 0.00 C ATOM 4 O GLY A -3 -24.702 0.190 2.279 1.00 0.00 O ATOM 0 H1 GLY A -3 -26.243 2.688 -0.262 1.00 0.00 H new ATOM 0 H2 GLY A -3 -25.383 1.229 -0.131 1.00 0.00 H new ATOM 0 H3 GLY A -3 -26.900 1.391 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -24.824 3.309 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -26.119 2.633 2.339 1.00 0.00 H new ATOM 10 N SER A -2 -23.217 1.853 2.589 1.00 0.00 N ATOM 11 CA SER A -2 -22.201 0.987 3.173 1.00 0.00 C ATOM 12 C SER A -2 -21.752 -0.076 2.161 1.00 0.00 C ATOM 13 O SER A -2 -21.556 0.234 0.987 1.00 0.00 O ATOM 14 CB SER A -2 -22.742 0.340 4.453 1.00 0.00 C ATOM 15 OG SER A -2 -23.188 1.324 5.371 1.00 0.00 O ATOM 0 H SER A -2 -22.946 2.834 2.520 1.00 0.00 H new ATOM 0 HA SER A -2 -21.328 1.586 3.432 1.00 0.00 H new ATOM 0 HB2 SER A -2 -23.565 -0.331 4.206 1.00 0.00 H new ATOM 0 HB3 SER A -2 -21.963 -0.267 4.915 1.00 0.00 H new ATOM 0 HG SER A -2 -23.530 0.887 6.179 1.00 0.00 H new ATOM 21 N HIS A -1 -21.583 -1.322 2.616 1.00 0.00 N ATOM 22 CA HIS A -1 -21.155 -2.418 1.746 1.00 0.00 C ATOM 23 C HIS A -1 -19.951 -2.016 0.895 1.00 0.00 C ATOM 24 O HIS A -1 -19.391 -0.933 1.067 1.00 0.00 O ATOM 25 CB HIS A -1 -22.310 -2.884 0.852 1.00 0.00 C ATOM 26 CG HIS A -1 -22.823 -1.833 -0.082 1.00 0.00 C ATOM 27 ND1 HIS A -1 -22.047 -1.253 -1.063 1.00 0.00 N ATOM 28 CD2 HIS A -1 -24.045 -1.257 -0.184 1.00 0.00 C ATOM 29 CE1 HIS A -1 -22.768 -0.366 -1.727 1.00 0.00 C ATOM 30 NE2 HIS A -1 -23.983 -0.351 -1.214 1.00 0.00 N ATOM 0 H HIS A -1 -21.737 -1.595 3.586 1.00 0.00 H new ATOM 0 HA HIS A -1 -20.853 -3.248 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -21.980 -3.743 0.268 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -23.130 -3.224 1.484 1.00 0.00 H new ATOM 0 HD1 HIS A -1 -21.069 -1.474 -1.248 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -24.907 -1.471 0.430 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -22.421 0.242 -2.549 1.00 0.00 H new ATOM 39 N MET A 1 -19.554 -2.897 -0.017 1.00 0.00 N ATOM 40 CA MET A 1 -18.413 -2.634 -0.886 1.00 0.00 C ATOM 41 C MET A 1 -18.742 -1.566 -1.924 1.00 0.00 C ATOM 42 O MET A 1 -19.719 -1.687 -2.665 1.00 0.00 O ATOM 43 CB MET A 1 -17.973 -3.920 -1.588 1.00 0.00 C ATOM 44 CG MET A 1 -17.553 -5.023 -0.630 1.00 0.00 C ATOM 45 SD MET A 1 -17.048 -6.529 -1.485 1.00 0.00 S ATOM 46 CE MET A 1 -16.635 -7.584 -0.099 1.00 0.00 C ATOM 0 H MET A 1 -20.005 -3.798 -0.173 1.00 0.00 H new ATOM 0 HA MET A 1 -17.598 -2.266 -0.263 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.791 -4.283 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.141 -3.694 -2.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.729 -4.667 -0.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.381 -5.251 0.041 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.304 -8.555 -0.467 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.836 -7.125 0.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.514 -7.716 0.533 1.00 0.00 H new ATOM 56 N LYS A 2 -17.917 -0.526 -1.980 1.00 0.00 N ATOM 57 CA LYS A 2 -18.112 0.558 -2.935 1.00 0.00 C ATOM 58 C LYS A 2 -17.703 0.119 -4.336 1.00 0.00 C ATOM 59 O LYS A 2 -18.318 0.513 -5.328 1.00 0.00 O ATOM 60 CB LYS A 2 -17.312 1.792 -2.514 1.00 0.00 C ATOM 61 CG LYS A 2 -15.816 1.545 -2.411 1.00 0.00 C ATOM 62 CD LYS A 2 -15.076 2.794 -1.962 1.00 0.00 C ATOM 63 CE LYS A 2 -13.582 2.545 -1.846 1.00 0.00 C ATOM 64 NZ LYS A 2 -12.850 3.760 -1.393 1.00 0.00 N ATOM 0 H LYS A 2 -17.105 -0.411 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.171 0.816 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.490 2.592 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.681 2.141 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.627 0.736 -1.706 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.432 1.221 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.257 3.601 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.467 3.123 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.403 1.731 -1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.191 2.225 -2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.026 3.918 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.482 4.585 -1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.531 3.627 -0.412 1.00 0.00 H new ATOM 78 N MET A 3 -16.658 -0.702 -4.406 1.00 0.00 N ATOM 79 CA MET A 3 -16.151 -1.207 -5.678 1.00 0.00 C ATOM 80 C MET A 3 -15.558 -0.088 -6.523 1.00 0.00 C ATOM 81 O MET A 3 -16.178 0.957 -6.720 1.00 0.00 O ATOM 82 CB MET A 3 -17.264 -1.916 -6.456 1.00 0.00 C ATOM 83 CG MET A 3 -17.866 -3.098 -5.714 1.00 0.00 C ATOM 84 SD MET A 3 -16.654 -4.387 -5.361 1.00 0.00 S ATOM 85 CE MET A 3 -16.127 -4.819 -7.018 1.00 0.00 C ATOM 0 H MET A 3 -16.143 -1.033 -3.590 1.00 0.00 H new ATOM 0 HA MET A 3 -15.359 -1.922 -5.457 1.00 0.00 H new ATOM 0 HB2 MET A 3 -18.053 -1.198 -6.680 1.00 0.00 H new ATOM 0 HB3 MET A 3 -16.866 -2.261 -7.410 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.304 -2.750 -4.778 1.00 0.00 H new ATOM 0 HG3 MET A 3 -18.677 -3.520 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.668 -5.807 -7.008 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.990 -4.827 -7.684 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.402 -4.086 -7.372 1.00 0.00 H new ATOM 95 N GLY A 4 -14.348 -0.322 -7.021 1.00 0.00 N ATOM 96 CA GLY A 4 -13.673 0.662 -7.844 1.00 0.00 C ATOM 97 C GLY A 4 -12.213 0.317 -8.060 1.00 0.00 C ATOM 98 O GLY A 4 -11.869 -0.844 -8.280 1.00 0.00 O ATOM 0 H GLY A 4 -13.821 -1.182 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.175 0.733 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.748 1.642 -7.372 1.00 0.00 H new ATOM 102 N VAL A 5 -11.353 1.326 -7.991 1.00 0.00 N ATOM 103 CA VAL A 5 -9.921 1.118 -8.175 1.00 0.00 C ATOM 104 C VAL A 5 -9.295 0.516 -6.929 1.00 0.00 C ATOM 105 O VAL A 5 -8.125 0.202 -6.930 1.00 0.00 O ATOM 106 CB VAL A 5 -9.165 2.417 -8.529 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.847 3.219 -7.277 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.888 2.146 -9.304 1.00 0.00 C ATOM 0 H VAL A 5 -11.620 2.293 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.827 0.430 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.828 2.999 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.314 4.129 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.774 3.482 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.224 2.622 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.392 3.090 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.225 1.522 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.129 1.631 -10.234 1.00 0.00 H new ATOM 118 N LYS A 6 -10.057 0.377 -5.847 1.00 0.00 N ATOM 119 CA LYS A 6 -9.486 -0.166 -4.620 1.00 0.00 C ATOM 120 C LYS A 6 -8.646 -1.386 -4.965 1.00 0.00 C ATOM 121 O LYS A 6 -7.502 -1.510 -4.530 1.00 0.00 O ATOM 122 CB LYS A 6 -10.601 -0.529 -3.632 1.00 0.00 C ATOM 123 CG LYS A 6 -10.110 -1.083 -2.301 1.00 0.00 C ATOM 124 CD LYS A 6 -9.674 -2.538 -2.408 1.00 0.00 C ATOM 125 CE LYS A 6 -9.395 -3.133 -1.037 1.00 0.00 C ATOM 126 NZ LYS A 6 -8.969 -4.557 -1.125 1.00 0.00 N ATOM 0 H LYS A 6 -11.045 0.625 -5.794 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.851 0.581 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.203 0.359 -3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.256 -1.265 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.274 -0.481 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.904 -0.997 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.451 -3.117 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.779 -2.607 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.618 -2.552 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.291 -3.060 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.768 -5.174 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.657 -4.767 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.183 -4.726 -0.465 1.00 0.00 H new ATOM 140 N GLU A 7 -9.199 -2.252 -5.797 1.00 0.00 N ATOM 141 CA GLU A 7 -8.479 -3.427 -6.256 1.00 0.00 C ATOM 142 C GLU A 7 -7.468 -3.056 -7.347 1.00 0.00 C ATOM 143 O GLU A 7 -6.407 -3.667 -7.450 1.00 0.00 O ATOM 144 CB GLU A 7 -9.453 -4.485 -6.776 1.00 0.00 C ATOM 145 CG GLU A 7 -10.481 -4.932 -5.747 1.00 0.00 C ATOM 146 CD GLU A 7 -9.846 -5.571 -4.528 1.00 0.00 C ATOM 147 OE1 GLU A 7 -9.069 -4.883 -3.834 1.00 0.00 O ATOM 148 OE2 GLU A 7 -10.126 -6.759 -4.266 1.00 0.00 O ATOM 0 H GLU A 7 -10.145 -2.163 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.934 -3.841 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.974 -4.089 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.886 -5.354 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.074 -4.073 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.167 -5.642 -6.209 1.00 0.00 H new ATOM 155 N ASP A 8 -7.819 -2.065 -8.177 1.00 0.00 N ATOM 156 CA ASP A 8 -6.948 -1.636 -9.277 1.00 0.00 C ATOM 157 C ASP A 8 -5.615 -1.057 -8.781 1.00 0.00 C ATOM 158 O ASP A 8 -4.544 -1.506 -9.192 1.00 0.00 O ATOM 159 CB ASP A 8 -7.678 -0.639 -10.165 1.00 0.00 C ATOM 160 CG ASP A 8 -8.591 -1.320 -11.165 1.00 0.00 C ATOM 161 OD1 ASP A 8 -9.515 -2.040 -10.732 1.00 0.00 O ATOM 162 OD2 ASP A 8 -8.383 -1.133 -12.382 1.00 0.00 O ATOM 0 H ASP A 8 -8.696 -1.548 -8.108 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.702 -2.522 -9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.264 0.037 -9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.949 -0.029 -10.699 1.00 0.00 H new ATOM 167 N ILE A 9 -5.685 -0.093 -7.870 1.00 0.00 N ATOM 168 CA ILE A 9 -4.496 0.507 -7.291 1.00 0.00 C ATOM 169 C ILE A 9 -3.764 -0.544 -6.475 1.00 0.00 C ATOM 170 O ILE A 9 -2.557 -0.727 -6.618 1.00 0.00 O ATOM 171 CB ILE A 9 -4.848 1.727 -6.400 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.215 2.933 -7.268 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.699 2.078 -5.460 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.579 4.167 -6.469 1.00 0.00 C ATOM 0 H ILE A 9 -6.562 0.290 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.858 0.868 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.709 1.458 -5.789 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.375 3.168 -7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.054 2.666 -7.910 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.978 2.937 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.485 1.227 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.812 2.321 -6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.827 4.981 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.438 3.949 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.734 4.460 -5.846 1.00 0.00 H new ATOM 186 N ARG A 10 -4.517 -1.258 -5.642 1.00 0.00 N ATOM 187 CA ARG A 10 -3.951 -2.321 -4.823 1.00 0.00 C ATOM 188 C ARG A 10 -3.227 -3.315 -5.715 1.00 0.00 C ATOM 189 O ARG A 10 -2.258 -3.950 -5.300 1.00 0.00 O ATOM 190 CB ARG A 10 -5.056 -3.044 -4.047 1.00 0.00 C ATOM 191 CG ARG A 10 -4.541 -3.887 -2.892 1.00 0.00 C ATOM 192 CD ARG A 10 -5.663 -4.669 -2.229 1.00 0.00 C ATOM 193 NE ARG A 10 -6.317 -5.588 -3.159 1.00 0.00 N ATOM 194 CZ ARG A 10 -5.722 -6.652 -3.696 1.00 0.00 C ATOM 195 NH1 ARG A 10 -4.473 -6.961 -3.366 1.00 0.00 N ATOM 196 NH2 ARG A 10 -6.381 -7.416 -4.555 1.00 0.00 N ATOM 0 H ARG A 10 -5.520 -1.118 -5.518 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.251 -1.883 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.759 -2.306 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.610 -3.684 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.780 -4.578 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.061 -3.243 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.263 -5.231 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.401 -3.974 -1.828 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.288 -5.403 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.964 -6.382 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.023 -7.777 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.344 -7.189 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.926 -8.231 -4.966 1.00 0.00 H new ATOM 210 N GLY A 11 -3.696 -3.426 -6.955 1.00 0.00 N ATOM 211 CA GLY A 11 -3.064 -4.329 -7.894 1.00 0.00 C ATOM 212 C GLY A 11 -1.668 -3.858 -8.200 1.00 0.00 C ATOM 213 O GLY A 11 -0.704 -4.626 -8.152 1.00 0.00 O ATOM 0 H GLY A 11 -4.496 -2.910 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.034 -5.336 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.649 -4.380 -8.812 1.00 0.00 H new ATOM 217 N GLN A 12 -1.567 -2.568 -8.481 1.00 0.00 N ATOM 218 CA GLN A 12 -0.292 -1.944 -8.762 1.00 0.00 C ATOM 219 C GLN A 12 0.578 -1.945 -7.506 1.00 0.00 C ATOM 220 O GLN A 12 1.806 -1.967 -7.588 1.00 0.00 O ATOM 221 CB GLN A 12 -0.509 -0.513 -9.257 1.00 0.00 C ATOM 222 CG GLN A 12 -1.341 -0.427 -10.528 1.00 0.00 C ATOM 223 CD GLN A 12 -1.455 0.984 -11.095 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.750 1.946 -10.502 1.00 0.00 O flip ATOM 225 NE2 GLN A 12 -2.169 1.205 -12.073 1.00 0.00 N flip ATOM 0 H GLN A 12 -2.363 -1.931 -8.520 1.00 0.00 H new ATOM 0 HA GLN A 12 0.218 -2.510 -9.541 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.999 0.063 -8.472 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.461 -0.048 -9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.901 -1.078 -11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.341 -0.808 -10.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.695 0.444 -12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.234 2.149 -12.454 1.00 0.00 H new ATOM 234 N ILE A 13 -0.074 -1.931 -6.341 1.00 0.00 N ATOM 235 CA ILE A 13 0.627 -1.941 -5.063 1.00 0.00 C ATOM 236 C ILE A 13 1.279 -3.296 -4.821 1.00 0.00 C ATOM 237 O ILE A 13 2.438 -3.372 -4.421 1.00 0.00 O ATOM 238 CB ILE A 13 -0.320 -1.607 -3.890 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.860 -0.182 -4.031 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.395 -1.770 -2.554 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.841 0.203 -2.945 1.00 0.00 C ATOM 0 H ILE A 13 -1.091 -1.913 -6.261 1.00 0.00 H new ATOM 0 HA ILE A 13 1.397 -1.171 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.157 -2.304 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.024 0.517 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.346 -0.081 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.291 -1.529 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.736 -2.800 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.252 -1.098 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.182 1.225 -3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.696 -0.473 -2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.353 0.134 -1.973 1.00 0.00 H new ATOM 253 N ILE A 14 0.533 -4.367 -5.084 1.00 0.00 N ATOM 254 CA ILE A 14 1.057 -5.715 -4.911 1.00 0.00 C ATOM 255 C ILE A 14 2.331 -5.890 -5.731 1.00 0.00 C ATOM 256 O ILE A 14 3.358 -6.328 -5.214 1.00 0.00 O ATOM 257 CB ILE A 14 0.008 -6.779 -5.310 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.043 -6.926 -4.207 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.665 -8.125 -5.597 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.466 -7.377 -2.884 1.00 0.00 C ATOM 0 H ILE A 14 -0.431 -4.326 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 14 1.291 -5.857 -3.856 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.481 -6.443 -6.224 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.549 -5.971 -4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.799 -7.643 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.099 -8.851 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.376 -8.016 -6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.188 -8.472 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.266 -7.460 -2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.015 -8.347 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.269 -6.649 -2.540 1.00 0.00 H new ATOM 272 N GLY A 15 2.266 -5.512 -7.003 1.00 0.00 N ATOM 273 CA GLY A 15 3.435 -5.604 -7.856 1.00 0.00 C ATOM 274 C GLY A 15 4.514 -4.638 -7.407 1.00 0.00 C ATOM 275 O GLY A 15 5.705 -4.943 -7.460 1.00 0.00 O ATOM 0 H GLY A 15 1.429 -5.145 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.823 -6.622 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.155 -5.388 -8.887 1.00 0.00 H new ATOM 279 N ALA A 16 4.075 -3.468 -6.955 1.00 0.00 N ATOM 280 CA ALA A 16 4.974 -2.426 -6.474 1.00 0.00 C ATOM 281 C ALA A 16 5.755 -2.888 -5.244 1.00 0.00 C ATOM 282 O ALA A 16 6.862 -2.414 -4.984 1.00 0.00 O ATOM 283 CB ALA A 16 4.177 -1.167 -6.155 1.00 0.00 C ATOM 0 H ALA A 16 3.088 -3.216 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 16 5.696 -2.207 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.852 -0.390 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.670 -0.819 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.438 -1.390 -5.385 1.00 0.00 H new ATOM 289 N LEU A 17 5.168 -3.814 -4.494 1.00 0.00 N ATOM 290 CA LEU A 17 5.786 -4.351 -3.291 1.00 0.00 C ATOM 291 C LEU A 17 6.730 -5.492 -3.636 1.00 0.00 C ATOM 292 O LEU A 17 7.715 -5.733 -2.939 1.00 0.00 O ATOM 293 CB LEU A 17 4.703 -4.842 -2.329 1.00 0.00 C ATOM 294 CG LEU A 17 3.925 -3.739 -1.602 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.611 -4.278 -1.057 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.764 -3.151 -0.474 1.00 0.00 C ATOM 0 H LEU A 17 4.252 -4.212 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 17 6.363 -3.560 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.996 -5.456 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.167 -5.488 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 17 3.702 -2.949 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.075 -3.479 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.003 -4.654 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.813 -5.087 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.197 -2.369 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.016 -3.936 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.680 -2.727 -0.885 1.00 0.00 H new ATOM 308 N ALA A 18 6.417 -6.192 -4.719 1.00 0.00 N ATOM 309 CA ALA A 18 7.233 -7.316 -5.166 1.00 0.00 C ATOM 310 C ALA A 18 8.687 -6.897 -5.351 1.00 0.00 C ATOM 311 O ALA A 18 8.973 -5.865 -5.960 1.00 0.00 O ATOM 312 CB ALA A 18 6.678 -7.891 -6.459 1.00 0.00 C ATOM 0 H ALA A 18 5.604 -6.002 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 18 7.199 -8.087 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.297 -8.729 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.657 -8.236 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.681 -7.121 -7.230 1.00 0.00 H new ATOM 318 N GLY A 19 9.604 -7.700 -4.819 1.00 0.00 N ATOM 319 CA GLY A 19 11.017 -7.388 -4.937 1.00 0.00 C ATOM 320 C GLY A 19 11.670 -7.131 -3.591 1.00 0.00 C ATOM 321 O GLY A 19 12.841 -7.451 -3.392 1.00 0.00 O ATOM 0 H GLY A 19 9.395 -8.559 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.528 -8.213 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.140 -6.510 -5.571 1.00 0.00 H new ATOM 325 N ALA A 20 10.912 -6.544 -2.668 1.00 0.00 N ATOM 326 CA ALA A 20 11.424 -6.235 -1.333 1.00 0.00 C ATOM 327 C ALA A 20 12.051 -7.458 -0.683 1.00 0.00 C ATOM 328 O ALA A 20 12.097 -8.534 -1.279 1.00 0.00 O ATOM 329 CB ALA A 20 10.298 -5.713 -0.455 1.00 0.00 C ATOM 0 H ALA A 20 9.941 -6.272 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 20 12.195 -5.471 -1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.686 -5.485 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.881 -4.809 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.518 -6.471 -0.374 1.00 0.00 H new ATOM 335 N ASP A 21 12.499 -7.291 0.558 1.00 0.00 N ATOM 336 CA ASP A 21 13.083 -8.390 1.317 1.00 0.00 C ATOM 337 C ASP A 21 12.021 -9.477 1.467 1.00 0.00 C ATOM 338 O ASP A 21 11.508 -9.969 0.462 1.00 0.00 O ATOM 339 CB ASP A 21 13.577 -7.871 2.669 1.00 0.00 C ATOM 340 CG ASP A 21 14.949 -7.236 2.570 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.124 -6.329 1.729 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.848 -7.643 3.333 1.00 0.00 O ATOM 0 H ASP A 21 12.468 -6.403 1.059 1.00 0.00 H new ATOM 0 HA ASP A 21 13.945 -8.815 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.867 -7.141 3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.610 -8.694 3.383 1.00 0.00 H new ATOM 347 N PHE A 22 11.625 -9.826 2.691 1.00 0.00 N ATOM 348 CA PHE A 22 10.562 -10.804 2.845 1.00 0.00 C ATOM 349 C PHE A 22 9.333 -10.215 2.172 1.00 0.00 C ATOM 350 O PHE A 22 9.402 -9.098 1.659 1.00 0.00 O ATOM 351 CB PHE A 22 10.311 -11.139 4.334 1.00 0.00 C ATOM 352 CG PHE A 22 9.531 -10.104 5.117 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.298 -9.639 4.675 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.035 -9.603 6.305 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.593 -8.699 5.389 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.329 -8.661 7.028 1.00 0.00 C ATOM 357 CZ PHE A 22 8.111 -8.207 6.565 1.00 0.00 C ATOM 0 H PHE A 22 12.012 -9.458 3.560 1.00 0.00 H new ATOM 0 HA PHE A 22 10.831 -11.753 2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.777 -12.088 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.275 -11.287 4.822 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.886 -10.023 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.990 -9.952 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.637 -8.348 5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.730 -8.280 7.955 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.563 -7.464 7.126 1.00 0.00 H new ATOM 367 N PRO A 23 8.193 -10.904 2.150 1.00 0.00 N ATOM 368 CA PRO A 23 7.002 -10.350 1.520 1.00 0.00 C ATOM 369 C PRO A 23 6.480 -9.106 2.251 1.00 0.00 C ATOM 370 O PRO A 23 5.375 -9.132 2.789 1.00 0.00 O ATOM 371 CB PRO A 23 5.993 -11.497 1.584 1.00 0.00 C ATOM 372 CG PRO A 23 6.450 -12.344 2.718 1.00 0.00 C ATOM 373 CD PRO A 23 7.950 -12.241 2.726 1.00 0.00 C ATOM 0 HA PRO A 23 7.197 -10.008 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 23 4.982 -11.125 1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.976 -12.061 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.029 -11.996 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.129 -13.378 2.588 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.355 -12.326 3.734 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.412 -13.028 2.130 1.00 0.00 H new ATOM 381 N ILE A 24 7.284 -8.012 2.237 1.00 0.00 N ATOM 382 CA ILE A 24 6.918 -6.714 2.853 1.00 0.00 C ATOM 383 C ILE A 24 7.680 -6.363 4.144 1.00 0.00 C ATOM 384 O ILE A 24 7.072 -6.173 5.197 1.00 0.00 O ATOM 385 CB ILE A 24 5.403 -6.617 3.111 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.654 -6.776 1.791 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.048 -5.298 3.777 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.171 -5.861 0.712 1.00 0.00 C ATOM 0 H ILE A 24 8.204 -8.007 1.798 1.00 0.00 H new ATOM 0 HA ILE A 24 7.223 -5.978 2.109 1.00 0.00 H new ATOM 0 HB ILE A 24 5.107 -7.417 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.736 -7.810 1.454 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.595 -6.577 1.953 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.972 -5.255 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.571 -5.220 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.346 -4.472 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.600 -6.019 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.064 -4.824 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.223 -6.077 0.525 1.00 0.00 H new ATOM 400 N ASN A 25 9.001 -6.238 4.048 1.00 0.00 N ATOM 401 CA ASN A 25 9.839 -5.869 5.201 1.00 0.00 C ATOM 402 C ASN A 25 9.505 -4.480 5.728 1.00 0.00 C ATOM 403 O ASN A 25 10.328 -3.568 5.640 1.00 0.00 O ATOM 404 CB ASN A 25 11.305 -5.889 4.806 1.00 0.00 C ATOM 405 CG ASN A 25 11.964 -7.219 5.085 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.554 -8.253 4.569 1.00 0.00 O ATOM 407 ND2 ASN A 25 12.999 -7.188 5.915 1.00 0.00 N ATOM 0 H ASN A 25 9.522 -6.386 3.184 1.00 0.00 H new ATOM 0 HA ASN A 25 9.640 -6.599 5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.394 -5.659 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.834 -5.105 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.491 -8.050 6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.302 -6.302 6.319 1.00 0.00 H new ATOM 414 N SER A 26 8.306 -4.305 6.262 1.00 0.00 N ATOM 415 CA SER A 26 7.901 -3.005 6.771 1.00 0.00 C ATOM 416 C SER A 26 8.014 -1.978 5.655 1.00 0.00 C ATOM 417 O SER A 26 8.750 -2.175 4.689 1.00 0.00 O ATOM 418 CB SER A 26 8.764 -2.579 7.961 1.00 0.00 C ATOM 419 OG SER A 26 10.069 -2.211 7.548 1.00 0.00 O ATOM 0 H SER A 26 7.603 -5.039 6.354 1.00 0.00 H new ATOM 0 HA SER A 26 6.869 -3.072 7.116 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.292 -1.740 8.472 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.825 -3.397 8.679 1.00 0.00 H new ATOM 0 HG SER A 26 10.199 -2.464 6.610 1.00 0.00 H new ATOM 425 N PRO A 27 7.279 -0.877 5.742 1.00 0.00 N ATOM 426 CA PRO A 27 7.316 0.139 4.707 1.00 0.00 C ATOM 427 C PRO A 27 8.729 0.556 4.341 1.00 0.00 C ATOM 428 O PRO A 27 9.003 0.853 3.190 1.00 0.00 O ATOM 429 CB PRO A 27 6.522 1.300 5.304 1.00 0.00 C ATOM 430 CG PRO A 27 5.606 0.658 6.292 1.00 0.00 C ATOM 431 CD PRO A 27 6.342 -0.541 6.826 1.00 0.00 C ATOM 0 HA PRO A 27 6.897 -0.224 3.769 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.179 2.025 5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.964 1.836 4.536 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.353 1.350 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.669 0.362 5.820 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.866 -0.310 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.663 -1.366 7.041 1.00 0.00 H new ATOM 439 N GLU A 28 9.632 0.566 5.303 1.00 0.00 N ATOM 440 CA GLU A 28 11.010 0.943 5.020 1.00 0.00 C ATOM 441 C GLU A 28 11.563 0.126 3.850 1.00 0.00 C ATOM 442 O GLU A 28 12.022 0.675 2.845 1.00 0.00 O ATOM 443 CB GLU A 28 11.882 0.728 6.256 1.00 0.00 C ATOM 444 CG GLU A 28 11.371 1.459 7.488 1.00 0.00 C ATOM 445 CD GLU A 28 12.322 1.358 8.662 1.00 0.00 C ATOM 446 OE1 GLU A 28 12.619 0.223 9.089 1.00 0.00 O ATOM 447 OE2 GLU A 28 12.772 2.413 9.156 1.00 0.00 O ATOM 0 H GLU A 28 9.444 0.322 6.275 1.00 0.00 H new ATOM 0 HA GLU A 28 11.026 1.999 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.937 -0.339 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.897 1.062 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.213 2.509 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.402 1.049 7.774 1.00 0.00 H new ATOM 454 N GLU A 29 11.521 -1.190 3.998 1.00 0.00 N ATOM 455 CA GLU A 29 12.029 -2.094 2.981 1.00 0.00 C ATOM 456 C GLU A 29 11.105 -2.232 1.786 1.00 0.00 C ATOM 457 O GLU A 29 11.514 -1.993 0.655 1.00 0.00 O ATOM 458 CB GLU A 29 12.183 -3.450 3.579 1.00 0.00 C ATOM 459 CG GLU A 29 12.940 -4.399 2.673 1.00 0.00 C ATOM 460 CD GLU A 29 14.311 -3.871 2.300 1.00 0.00 C ATOM 461 OE1 GLU A 29 15.131 -3.650 3.216 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.565 -3.679 1.093 1.00 0.00 O ATOM 0 H GLU A 29 11.137 -1.657 4.820 1.00 0.00 H new ATOM 0 HA GLU A 29 12.974 -1.676 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.706 -3.367 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.197 -3.864 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.048 -5.363 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.361 -4.571 1.766 1.00 0.00 H new ATOM 469 N LEU A 30 9.865 -2.649 2.031 1.00 0.00 N ATOM 470 CA LEU A 30 8.910 -2.839 0.948 1.00 0.00 C ATOM 471 C LEU A 30 8.891 -1.588 0.076 1.00 0.00 C ATOM 472 O LEU A 30 8.889 -1.670 -1.157 1.00 0.00 O ATOM 473 CB LEU A 30 7.520 -3.128 1.522 1.00 0.00 C ATOM 474 CG LEU A 30 6.834 -1.934 2.183 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.141 -1.064 1.147 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.845 -2.394 3.240 1.00 0.00 C ATOM 0 H LEU A 30 9.503 -2.859 2.961 1.00 0.00 H new ATOM 0 HA LEU A 30 9.206 -3.691 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.881 -3.496 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.606 -3.930 2.255 1.00 0.00 H new ATOM 0 HG LEU A 30 7.603 -1.336 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.660 -0.221 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.876 -0.694 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.389 -1.653 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.370 -1.526 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.084 -3.023 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.370 -2.964 4.006 1.00 0.00 H new ATOM 488 N MET A 31 8.943 -0.433 0.728 1.00 0.00 N ATOM 489 CA MET A 31 8.996 0.834 0.021 1.00 0.00 C ATOM 490 C MET A 31 10.312 0.916 -0.732 1.00 0.00 C ATOM 491 O MET A 31 10.384 1.483 -1.823 1.00 0.00 O ATOM 492 CB MET A 31 8.886 2.007 0.992 1.00 0.00 C ATOM 493 CG MET A 31 8.813 3.365 0.319 1.00 0.00 C ATOM 494 SD MET A 31 9.069 4.721 1.481 1.00 0.00 S ATOM 495 CE MET A 31 7.907 4.294 2.777 1.00 0.00 C ATOM 0 H MET A 31 8.949 -0.351 1.745 1.00 0.00 H new ATOM 0 HA MET A 31 8.157 0.890 -0.673 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.998 1.871 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.745 1.992 1.662 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.564 3.418 -0.469 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.840 3.479 -0.160 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.990 5.014 3.591 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.893 4.313 2.377 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.130 3.295 3.151 1.00 0.00 H new ATOM 505 N ALA A 32 11.360 0.327 -0.145 1.00 0.00 N ATOM 506 CA ALA A 32 12.671 0.325 -0.776 1.00 0.00 C ATOM 507 C ALA A 32 12.653 -0.528 -2.041 1.00 0.00 C ATOM 508 O ALA A 32 13.402 -0.279 -2.986 1.00 0.00 O ATOM 509 CB ALA A 32 13.727 -0.180 0.195 1.00 0.00 C ATOM 0 H ALA A 32 11.321 -0.148 0.757 1.00 0.00 H new ATOM 0 HA ALA A 32 12.922 1.348 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.702 -0.175 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.756 0.469 1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.481 -1.196 0.504 1.00 0.00 H new ATOM 515 N ALA A 33 11.798 -1.545 -2.039 1.00 0.00 N ATOM 516 CA ALA A 33 11.674 -2.457 -3.164 1.00 0.00 C ATOM 517 C ALA A 33 11.035 -1.798 -4.377 1.00 0.00 C ATOM 518 O ALA A 33 11.435 -2.062 -5.511 1.00 0.00 O ATOM 519 CB ALA A 33 10.866 -3.667 -2.751 1.00 0.00 C ATOM 0 H ALA A 33 11.175 -1.758 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 33 12.681 -2.759 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.774 -4.349 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.367 -4.175 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.873 -3.350 -2.432 1.00 0.00 H new ATOM 525 N LEU A 34 10.023 -0.964 -4.136 1.00 0.00 N ATOM 526 CA LEU A 34 9.302 -0.285 -5.220 1.00 0.00 C ATOM 527 C LEU A 34 10.203 -0.016 -6.434 1.00 0.00 C ATOM 528 O LEU A 34 11.387 0.290 -6.292 1.00 0.00 O ATOM 529 CB LEU A 34 8.654 1.007 -4.717 1.00 0.00 C ATOM 530 CG LEU A 34 7.294 0.808 -4.036 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.418 -0.142 -2.860 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.715 2.135 -3.581 1.00 0.00 C ATOM 0 H LEU A 34 9.682 -0.741 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 34 8.512 -0.958 -5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.332 1.490 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.530 1.689 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 34 6.614 0.370 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.442 -0.270 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.782 -1.108 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.119 0.268 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.751 1.966 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.396 2.605 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.582 2.789 -4.443 1.00 0.00 H new ATOM 544 N PRO A 35 9.644 -0.182 -7.648 1.00 0.00 N ATOM 545 CA PRO A 35 10.375 -0.020 -8.918 1.00 0.00 C ATOM 546 C PRO A 35 11.116 1.307 -9.089 1.00 0.00 C ATOM 547 O PRO A 35 12.284 1.315 -9.480 1.00 0.00 O ATOM 548 CB PRO A 35 9.276 -0.145 -9.989 1.00 0.00 C ATOM 549 CG PRO A 35 7.982 -0.049 -9.251 1.00 0.00 C ATOM 550 CD PRO A 35 8.254 -0.594 -7.885 1.00 0.00 C ATOM 0 HA PRO A 35 11.171 -0.762 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.362 0.647 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.354 -1.093 -10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.637 0.984 -9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.202 -0.621 -9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.575 -0.179 -7.140 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.141 -1.678 -7.851 1.00 0.00 H new ATOM 558 N ASN A 36 10.441 2.428 -8.854 1.00 0.00 N ATOM 559 CA ASN A 36 11.074 3.733 -9.055 1.00 0.00 C ATOM 560 C ASN A 36 12.120 4.069 -7.992 1.00 0.00 C ATOM 561 O ASN A 36 13.041 4.841 -8.257 1.00 0.00 O ATOM 562 CB ASN A 36 10.025 4.856 -9.105 1.00 0.00 C ATOM 563 CG ASN A 36 9.387 5.178 -7.759 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.393 4.229 -6.832 1.00 0.00 O flip ATOM 565 ND2 ASN A 36 8.855 6.271 -7.571 1.00 0.00 N flip ATOM 0 H ASN A 36 9.474 2.464 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 36 11.589 3.662 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.494 5.758 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.241 4.574 -9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.869 6.978 -8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.400 6.470 -6.680 1.00 0.00 H new ATOM 572 N GLY A 37 11.984 3.508 -6.796 1.00 0.00 N ATOM 573 CA GLY A 37 12.934 3.798 -5.737 1.00 0.00 C ATOM 574 C GLY A 37 12.390 4.781 -4.702 1.00 0.00 C ATOM 575 O GLY A 37 12.263 4.427 -3.530 1.00 0.00 O ATOM 0 H GLY A 37 11.238 2.861 -6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.209 2.869 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.845 4.206 -6.175 1.00 0.00 H new ATOM 579 N PRO A 38 12.059 6.035 -5.093 1.00 0.00 N ATOM 580 CA PRO A 38 11.536 7.040 -4.163 1.00 0.00 C ATOM 581 C PRO A 38 10.049 6.859 -3.856 1.00 0.00 C ATOM 582 O PRO A 38 9.273 7.811 -3.926 1.00 0.00 O ATOM 583 CB PRO A 38 11.775 8.354 -4.899 1.00 0.00 C ATOM 584 CG PRO A 38 11.680 7.997 -6.339 1.00 0.00 C ATOM 585 CD PRO A 38 12.175 6.576 -6.462 1.00 0.00 C ATOM 0 HA PRO A 38 12.023 6.979 -3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.031 9.103 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.752 8.772 -4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.652 8.082 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.283 8.672 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.574 6.004 -7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.205 6.542 -6.818 1.00 0.00 H new ATOM 593 N ASP A 39 9.671 5.633 -3.508 1.00 0.00 N ATOM 594 CA ASP A 39 8.304 5.296 -3.167 1.00 0.00 C ATOM 595 C ASP A 39 7.300 5.752 -4.222 1.00 0.00 C ATOM 596 O ASP A 39 6.788 6.868 -4.181 1.00 0.00 O ATOM 597 CB ASP A 39 7.949 5.847 -1.784 1.00 0.00 C ATOM 598 CG ASP A 39 8.107 7.351 -1.661 1.00 0.00 C ATOM 599 OD1 ASP A 39 7.367 8.091 -2.342 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.976 7.791 -0.879 1.00 0.00 O ATOM 0 H ASP A 39 10.314 4.843 -3.456 1.00 0.00 H new ATOM 0 HA ASP A 39 8.238 4.208 -3.139 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.918 5.580 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.580 5.363 -1.038 1.00 0.00 H new ATOM 605 N THR A 40 7.014 4.857 -5.161 1.00 0.00 N ATOM 606 CA THR A 40 6.058 5.136 -6.225 1.00 0.00 C ATOM 607 C THR A 40 4.632 4.985 -5.714 1.00 0.00 C ATOM 608 O THR A 40 4.310 4.013 -5.030 1.00 0.00 O ATOM 609 CB THR A 40 6.247 4.195 -7.432 1.00 0.00 C ATOM 610 OG1 THR A 40 5.249 4.465 -8.423 1.00 0.00 O ATOM 611 CG2 THR A 40 6.164 2.735 -7.010 1.00 0.00 C ATOM 0 H THR A 40 7.433 3.928 -5.206 1.00 0.00 H new ATOM 0 HA THR A 40 6.238 6.162 -6.547 1.00 0.00 H new ATOM 0 HB THR A 40 7.237 4.377 -7.849 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.376 3.865 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.301 2.096 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.944 2.523 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.188 2.539 -6.567 1.00 0.00 H new ATOM 619 N THR A 41 3.773 5.937 -6.051 1.00 0.00 N ATOM 620 CA THR A 41 2.385 5.874 -5.622 1.00 0.00 C ATOM 621 C THR A 41 1.458 5.562 -6.783 1.00 0.00 C ATOM 622 O THR A 41 1.408 6.295 -7.771 1.00 0.00 O ATOM 623 CB THR A 41 1.924 7.182 -4.946 1.00 0.00 C ATOM 624 OG1 THR A 41 0.508 7.159 -4.754 1.00 0.00 O ATOM 625 CG2 THR A 41 2.309 8.393 -5.772 1.00 0.00 C ATOM 0 H THR A 41 4.010 6.754 -6.614 1.00 0.00 H new ATOM 0 HA THR A 41 2.332 5.067 -4.891 1.00 0.00 H new ATOM 0 HB THR A 41 2.423 7.256 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.192 6.231 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.970 9.299 -5.269 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.392 8.425 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.841 8.327 -6.754 1.00 0.00 H new ATOM 633 N CYS A 42 0.713 4.474 -6.645 1.00 0.00 N ATOM 634 CA CYS A 42 -0.237 4.056 -7.664 1.00 0.00 C ATOM 635 C CYS A 42 -1.434 4.999 -7.657 1.00 0.00 C ATOM 636 O CYS A 42 -2.566 4.586 -7.405 1.00 0.00 O ATOM 637 CB CYS A 42 -0.681 2.618 -7.397 1.00 0.00 C ATOM 638 SG CYS A 42 0.696 1.470 -7.147 1.00 0.00 S ATOM 0 H CYS A 42 0.750 3.861 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 42 0.235 4.095 -8.646 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.321 2.602 -6.515 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.285 2.271 -8.236 1.00 0.00 H new ATOM 0 HG CYS A 42 0.864 1.264 -5.874 1.00 0.00 H new ATOM 644 N LYS A 43 -1.162 6.278 -7.898 1.00 0.00 N ATOM 645 CA LYS A 43 -2.197 7.299 -7.885 1.00 0.00 C ATOM 646 C LYS A 43 -3.068 7.244 -9.132 1.00 0.00 C ATOM 647 O LYS A 43 -2.582 7.378 -10.254 1.00 0.00 O ATOM 648 CB LYS A 43 -1.556 8.685 -7.769 1.00 0.00 C ATOM 649 CG LYS A 43 -0.608 9.019 -8.910 1.00 0.00 C ATOM 650 CD LYS A 43 0.022 10.390 -8.728 1.00 0.00 C ATOM 651 CE LYS A 43 0.968 10.724 -9.869 1.00 0.00 C ATOM 652 NZ LYS A 43 1.590 12.067 -9.701 1.00 0.00 N ATOM 0 H LYS A 43 -0.228 6.630 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.836 7.108 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.344 9.438 -7.731 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.011 8.746 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.175 8.263 -8.967 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.150 8.989 -9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.761 11.146 -8.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.565 10.420 -7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.750 9.967 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.424 10.692 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.228 12.256 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.846 12.793 -9.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.131 12.090 -8.813 1.00 0.00 H new ATOM 666 N SER A 44 -4.367 7.080 -8.917 1.00 0.00 N ATOM 667 CA SER A 44 -5.325 7.045 -10.010 1.00 0.00 C ATOM 668 C SER A 44 -5.975 8.415 -10.143 1.00 0.00 C ATOM 669 O SER A 44 -7.016 8.680 -9.542 1.00 0.00 O ATOM 670 CB SER A 44 -6.389 5.975 -9.761 1.00 0.00 C ATOM 671 OG SER A 44 -5.801 4.693 -9.616 1.00 0.00 O ATOM 0 H SER A 44 -4.781 6.969 -7.991 1.00 0.00 H new ATOM 0 HA SER A 44 -4.806 6.794 -10.935 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.955 6.223 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.097 5.962 -10.590 1.00 0.00 H new ATOM 0 HG SER A 44 -5.858 4.209 -10.466 1.00 0.00 H new ATOM 677 N GLY A 45 -5.343 9.290 -10.915 1.00 0.00 N ATOM 678 CA GLY A 45 -5.864 10.630 -11.085 1.00 0.00 C ATOM 679 C GLY A 45 -5.356 11.578 -10.013 1.00 0.00 C ATOM 680 O GLY A 45 -4.149 11.702 -9.808 1.00 0.00 O ATOM 0 H GLY A 45 -4.481 9.095 -11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.580 11.008 -12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.953 10.602 -11.057 1.00 0.00 H new ATOM 684 N ASP A 46 -6.276 12.253 -9.333 1.00 0.00 N ATOM 685 CA ASP A 46 -5.915 13.201 -8.282 1.00 0.00 C ATOM 686 C ASP A 46 -5.415 12.493 -7.021 1.00 0.00 C ATOM 687 O ASP A 46 -4.439 12.920 -6.409 1.00 0.00 O ATOM 688 CB ASP A 46 -7.115 14.085 -7.936 1.00 0.00 C ATOM 689 CG ASP A 46 -7.607 14.890 -9.124 1.00 0.00 C ATOM 690 OD1 ASP A 46 -7.013 14.760 -10.215 1.00 0.00 O ATOM 691 OD2 ASP A 46 -8.585 15.651 -8.964 1.00 0.00 O ATOM 0 H ASP A 46 -7.280 12.162 -9.490 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.101 13.818 -8.664 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.927 13.460 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.840 14.765 -7.129 1.00 0.00 H new ATOM 696 N VAL A 47 -6.102 11.428 -6.624 1.00 0.00 N ATOM 697 CA VAL A 47 -5.743 10.675 -5.421 1.00 0.00 C ATOM 698 C VAL A 47 -4.447 9.878 -5.595 1.00 0.00 C ATOM 699 O VAL A 47 -4.238 9.236 -6.624 1.00 0.00 O ATOM 700 CB VAL A 47 -6.877 9.707 -5.025 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.518 8.925 -3.768 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.182 10.468 -4.834 1.00 0.00 C ATOM 0 H VAL A 47 -6.916 11.062 -7.119 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.587 11.411 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.010 8.990 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.336 8.251 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.612 8.345 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.349 9.618 -2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.972 9.771 -4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.058 11.211 -4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.451 10.968 -5.764 1.00 0.00 H new ATOM 712 N GLU A 48 -3.591 9.904 -4.568 1.00 0.00 N ATOM 713 CA GLU A 48 -2.332 9.165 -4.595 1.00 0.00 C ATOM 714 C GLU A 48 -2.213 8.263 -3.368 1.00 0.00 C ATOM 715 O GLU A 48 -2.537 8.671 -2.253 1.00 0.00 O ATOM 716 CB GLU A 48 -1.122 10.107 -4.632 1.00 0.00 C ATOM 717 CG GLU A 48 -1.227 11.234 -5.647 1.00 0.00 C ATOM 718 CD GLU A 48 -2.088 12.383 -5.161 1.00 0.00 C ATOM 719 OE1 GLU A 48 -2.685 12.262 -4.070 1.00 0.00 O ATOM 720 OE2 GLU A 48 -2.163 13.408 -5.872 1.00 0.00 O ATOM 0 H GLU A 48 -3.751 10.430 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.337 8.562 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.985 10.540 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.229 9.521 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.228 11.606 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.642 10.843 -6.576 1.00 0.00 H new ATOM 727 N LEU A 49 -1.739 7.040 -3.581 1.00 0.00 N ATOM 728 CA LEU A 49 -1.564 6.080 -2.494 1.00 0.00 C ATOM 729 C LEU A 49 -0.224 5.365 -2.619 1.00 0.00 C ATOM 730 O LEU A 49 0.165 4.942 -3.708 1.00 0.00 O ATOM 731 CB LEU A 49 -2.697 5.049 -2.492 1.00 0.00 C ATOM 732 CG LEU A 49 -4.090 5.600 -2.190 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.098 6.337 -0.859 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.567 6.506 -3.319 1.00 0.00 C ATOM 0 H LEU A 49 -1.468 6.688 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.587 6.632 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.722 4.561 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.463 4.280 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.783 4.762 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.099 6.722 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.809 5.652 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.392 7.166 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.561 6.888 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.875 7.341 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.607 5.939 -4.249 1.00 0.00 H new ATOM 746 N LYS A 50 0.479 5.228 -1.499 1.00 0.00 N ATOM 747 CA LYS A 50 1.774 4.559 -1.492 1.00 0.00 C ATOM 748 C LYS A 50 2.216 4.235 -0.068 1.00 0.00 C ATOM 749 O LYS A 50 1.413 4.269 0.863 1.00 0.00 O ATOM 750 CB LYS A 50 2.821 5.430 -2.191 1.00 0.00 C ATOM 751 CG LYS A 50 3.026 6.784 -1.534 1.00 0.00 C ATOM 752 CD LYS A 50 4.179 7.548 -2.169 1.00 0.00 C ATOM 753 CE LYS A 50 4.228 8.987 -1.682 1.00 0.00 C ATOM 754 NZ LYS A 50 5.375 9.734 -2.269 1.00 0.00 N ATOM 0 H LYS A 50 0.174 5.570 -0.588 1.00 0.00 H new ATOM 0 HA LYS A 50 1.676 3.619 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.771 4.897 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.521 5.581 -3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.111 7.371 -1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.222 6.647 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.120 7.051 -1.934 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.073 7.533 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.296 9.490 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.305 9.000 -0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.464 10.658 -1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.251 9.190 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.212 9.877 -3.286 1.00 0.00 H new ATOM 768 N ALA A 51 3.491 3.907 0.092 1.00 0.00 N ATOM 769 CA ALA A 51 4.034 3.561 1.398 1.00 0.00 C ATOM 770 C ALA A 51 4.296 4.799 2.251 1.00 0.00 C ATOM 771 O ALA A 51 3.948 4.838 3.429 1.00 0.00 O ATOM 772 CB ALA A 51 5.310 2.748 1.233 1.00 0.00 C ATOM 0 H ALA A 51 4.170 3.873 -0.669 1.00 0.00 H new ATOM 0 HA ALA A 51 3.289 2.960 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.709 2.494 2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.090 1.833 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.046 3.334 0.683 1.00 0.00 H new ATOM 778 N SER A 52 4.920 5.808 1.661 1.00 0.00 N ATOM 779 CA SER A 52 5.230 7.033 2.388 1.00 0.00 C ATOM 780 C SER A 52 3.961 7.776 2.802 1.00 0.00 C ATOM 781 O SER A 52 3.797 8.137 3.968 1.00 0.00 O ATOM 782 CB SER A 52 6.120 7.940 1.539 1.00 0.00 C ATOM 783 OG SER A 52 6.416 9.147 2.219 1.00 0.00 O ATOM 0 H SER A 52 5.221 5.805 0.686 1.00 0.00 H new ATOM 0 HA SER A 52 5.765 6.755 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.046 7.420 1.295 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.622 8.163 0.596 1.00 0.00 H new ATOM 0 HG SER A 52 6.988 9.709 1.655 1.00 0.00 H new ATOM 789 N ASP A 53 3.071 8.013 1.844 1.00 0.00 N ATOM 790 CA ASP A 53 1.825 8.723 2.116 1.00 0.00 C ATOM 791 C ASP A 53 0.844 7.874 2.922 1.00 0.00 C ATOM 792 O ASP A 53 0.313 8.327 3.932 1.00 0.00 O ATOM 793 CB ASP A 53 1.170 9.159 0.803 1.00 0.00 C ATOM 794 CG ASP A 53 2.012 10.161 0.038 1.00 0.00 C ATOM 795 OD1 ASP A 53 3.103 10.516 0.531 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.584 10.591 -1.054 1.00 0.00 O ATOM 0 H ASP A 53 3.189 7.724 0.873 1.00 0.00 H new ATOM 0 HA ASP A 53 2.076 9.599 2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.997 8.283 0.178 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.194 9.596 1.015 1.00 0.00 H new ATOM 801 N ALA A 54 0.587 6.655 2.460 1.00 0.00 N ATOM 802 CA ALA A 54 -0.357 5.767 3.136 1.00 0.00 C ATOM 803 C ALA A 54 0.293 4.959 4.260 1.00 0.00 C ATOM 804 O ALA A 54 -0.255 4.862 5.357 1.00 0.00 O ATOM 805 CB ALA A 54 -1.002 4.832 2.129 1.00 0.00 C ATOM 0 H ALA A 54 1.016 6.259 1.624 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.117 6.399 3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.704 4.174 2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.534 5.417 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.232 4.233 1.643 1.00 0.00 H new ATOM 811 N GLY A 55 1.447 4.363 3.975 1.00 0.00 N ATOM 812 CA GLY A 55 2.138 3.548 4.969 1.00 0.00 C ATOM 813 C GLY A 55 2.196 4.183 6.350 1.00 0.00 C ATOM 814 O GLY A 55 2.299 3.476 7.353 1.00 0.00 O ATOM 0 H GLY A 55 1.920 4.428 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.639 2.582 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.154 3.356 4.625 1.00 0.00 H new ATOM 818 N GLN A 56 2.138 5.513 6.406 1.00 0.00 N ATOM 819 CA GLN A 56 2.192 6.237 7.680 1.00 0.00 C ATOM 820 C GLN A 56 1.355 5.553 8.756 1.00 0.00 C ATOM 821 O GLN A 56 1.736 5.515 9.926 1.00 0.00 O ATOM 822 CB GLN A 56 1.687 7.671 7.504 1.00 0.00 C ATOM 823 CG GLN A 56 0.275 7.760 6.948 1.00 0.00 C ATOM 824 CD GLN A 56 -0.272 9.176 6.980 1.00 0.00 C ATOM 825 OE1 GLN A 56 -0.336 9.804 8.037 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.677 9.683 5.823 1.00 0.00 N ATOM 0 H GLN A 56 2.054 6.113 5.585 1.00 0.00 H new ATOM 0 HA GLN A 56 3.235 6.243 7.997 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.721 8.179 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.364 8.206 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.268 7.394 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.381 7.107 7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.606 9.128 4.970 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.059 10.628 5.786 1.00 0.00 H new ATOM 835 N VAL A 57 0.203 5.041 8.352 1.00 0.00 N ATOM 836 CA VAL A 57 -0.712 4.383 9.272 1.00 0.00 C ATOM 837 C VAL A 57 -0.133 3.095 9.853 1.00 0.00 C ATOM 838 O VAL A 57 -0.431 2.739 10.993 1.00 0.00 O ATOM 839 CB VAL A 57 -2.059 4.096 8.584 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.697 5.404 8.138 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.877 3.154 7.403 1.00 0.00 C ATOM 0 H VAL A 57 -0.122 5.069 7.386 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.870 5.070 10.103 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.720 3.606 9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.650 5.197 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.864 6.042 9.006 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.035 5.911 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.843 2.967 6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.203 3.607 6.676 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.454 2.212 7.751 1.00 0.00 H new ATOM 851 N LEU A 58 0.690 2.394 9.079 1.00 0.00 N ATOM 852 CA LEU A 58 1.289 1.149 9.554 1.00 0.00 C ATOM 853 C LEU A 58 2.296 1.429 10.666 1.00 0.00 C ATOM 854 O LEU A 58 3.253 2.181 10.477 1.00 0.00 O ATOM 855 CB LEU A 58 1.971 0.404 8.403 1.00 0.00 C ATOM 856 CG LEU A 58 1.139 0.291 7.123 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.878 -0.530 6.076 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.228 -0.313 7.420 1.00 0.00 C ATOM 0 H LEU A 58 0.956 2.662 8.131 1.00 0.00 H new ATOM 0 HA LEU A 58 0.493 0.520 9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.907 0.910 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.228 -0.600 8.741 1.00 0.00 H new ATOM 0 HG LEU A 58 0.986 1.294 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.271 -0.599 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.827 -0.049 5.839 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.066 -1.531 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.803 -0.384 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.101 -1.308 7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.759 0.321 8.130 1.00 0.00 H new ATOM 870 N THR A 59 2.075 0.818 11.827 1.00 0.00 N ATOM 871 CA THR A 59 2.961 1.000 12.972 1.00 0.00 C ATOM 872 C THR A 59 4.269 0.235 12.789 1.00 0.00 C ATOM 873 O THR A 59 4.327 -0.742 12.044 1.00 0.00 O ATOM 874 CB THR A 59 2.292 0.547 14.283 1.00 0.00 C ATOM 875 OG1 THR A 59 1.959 -0.844 14.210 1.00 0.00 O ATOM 876 CG2 THR A 59 1.034 1.359 14.556 1.00 0.00 C ATOM 0 H THR A 59 1.289 0.192 11.999 1.00 0.00 H new ATOM 0 HA THR A 59 3.175 2.067 13.034 1.00 0.00 H new ATOM 0 HB THR A 59 2.997 0.709 15.099 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.588 -1.300 13.613 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.578 1.022 15.487 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.293 2.414 14.640 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.328 1.223 13.736 1.00 0.00 H new ATOM 884 N ALA A 60 5.316 0.690 13.470 1.00 0.00 N ATOM 885 CA ALA A 60 6.627 0.052 13.385 1.00 0.00 C ATOM 886 C ALA A 60 6.530 -1.450 13.633 1.00 0.00 C ATOM 887 O ALA A 60 7.163 -2.245 12.939 1.00 0.00 O ATOM 888 CB ALA A 60 7.588 0.690 14.376 1.00 0.00 C ATOM 0 H ALA A 60 5.283 1.500 14.089 1.00 0.00 H new ATOM 0 HA ALA A 60 7.008 0.201 12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.561 0.205 14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.693 1.751 14.149 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.199 0.572 15.387 1.00 0.00 H new ATOM 894 N ASP A 61 5.730 -1.836 14.621 1.00 0.00 N ATOM 895 CA ASP A 61 5.548 -3.234 14.955 1.00 0.00 C ATOM 896 C ASP A 61 5.024 -4.025 13.755 1.00 0.00 C ATOM 897 O ASP A 61 5.144 -5.249 13.707 1.00 0.00 O ATOM 898 CB ASP A 61 4.587 -3.354 16.134 1.00 0.00 C ATOM 899 CG ASP A 61 3.205 -2.821 15.816 1.00 0.00 C ATOM 900 OD1 ASP A 61 2.545 -3.384 14.918 1.00 0.00 O ATOM 901 OD2 ASP A 61 2.782 -1.842 16.466 1.00 0.00 O ATOM 0 H ASP A 61 5.196 -1.192 15.205 1.00 0.00 H new ATOM 0 HA ASP A 61 6.514 -3.655 15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.510 -4.400 16.430 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.994 -2.811 16.987 1.00 0.00 H new ATOM 906 N ASP A 62 4.439 -3.316 12.788 1.00 0.00 N ATOM 907 CA ASP A 62 3.893 -3.949 11.590 1.00 0.00 C ATOM 908 C ASP A 62 4.981 -4.525 10.686 1.00 0.00 C ATOM 909 O ASP A 62 4.676 -5.019 9.601 1.00 0.00 O ATOM 910 CB ASP A 62 3.075 -2.945 10.781 1.00 0.00 C ATOM 911 CG ASP A 62 1.922 -2.353 11.568 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.722 -2.767 12.730 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.227 -1.468 11.029 1.00 0.00 O ATOM 0 H ASP A 62 4.332 -2.302 12.813 1.00 0.00 H new ATOM 0 HA ASP A 62 3.262 -4.768 11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.728 -2.141 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.685 -3.436 9.889 1.00 0.00 H new ATOM 918 N PHE A 63 6.245 -4.450 11.109 1.00 0.00 N ATOM 919 CA PHE A 63 7.346 -4.961 10.293 1.00 0.00 C ATOM 920 C PHE A 63 6.968 -6.269 9.600 1.00 0.00 C ATOM 921 O PHE A 63 6.830 -6.304 8.382 1.00 0.00 O ATOM 922 CB PHE A 63 8.604 -5.168 11.142 1.00 0.00 C ATOM 923 CG PHE A 63 9.684 -4.157 10.890 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.409 -2.803 10.984 1.00 0.00 C ATOM 925 CD2 PHE A 63 10.965 -4.555 10.551 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.390 -1.865 10.742 1.00 0.00 C ATOM 927 CE2 PHE A 63 11.954 -3.621 10.311 1.00 0.00 C ATOM 928 CZ PHE A 63 11.699 -2.301 10.443 1.00 0.00 C ATOM 0 H PHE A 63 6.528 -4.045 12.001 1.00 0.00 H new ATOM 0 HA PHE A 63 7.554 -4.214 9.527 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.328 -5.135 12.196 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.001 -6.164 10.948 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.414 -2.478 11.250 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.194 -5.608 10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.160 -0.810 10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.940 -3.949 10.015 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.495 -1.581 10.320 1.00 0.00 H new ATOM 938 N PRO A 64 6.775 -7.358 10.365 1.00 0.00 N ATOM 939 CA PRO A 64 6.398 -8.656 9.799 1.00 0.00 C ATOM 940 C PRO A 64 4.969 -8.660 9.271 1.00 0.00 C ATOM 941 O PRO A 64 4.063 -9.202 9.903 1.00 0.00 O ATOM 942 CB PRO A 64 6.546 -9.615 10.978 1.00 0.00 C ATOM 943 CG PRO A 64 6.336 -8.764 12.183 1.00 0.00 C ATOM 944 CD PRO A 64 6.894 -7.411 11.836 1.00 0.00 C ATOM 0 HA PRO A 64 7.015 -8.925 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.813 -10.420 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.531 -10.081 10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.277 -8.697 12.434 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.843 -9.185 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.331 -6.610 12.314 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.930 -7.309 12.159 1.00 0.00 H new ATOM 952 N PHE A 65 4.778 -8.051 8.107 1.00 0.00 N ATOM 953 CA PHE A 65 3.463 -7.979 7.485 1.00 0.00 C ATOM 954 C PHE A 65 3.093 -9.308 6.834 1.00 0.00 C ATOM 955 O PHE A 65 3.939 -9.977 6.242 1.00 0.00 O ATOM 956 CB PHE A 65 3.434 -6.882 6.422 1.00 0.00 C ATOM 957 CG PHE A 65 2.604 -5.686 6.793 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.226 -5.684 6.638 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.213 -4.566 7.321 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.482 -4.577 7.001 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.481 -3.461 7.686 1.00 0.00 C ATOM 962 CZ PHE A 65 1.031 -3.489 7.430 1.00 0.00 C ATOM 0 H PHE A 65 5.520 -7.599 7.574 1.00 0.00 H new ATOM 0 HA PHE A 65 2.740 -7.751 8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.455 -6.555 6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.050 -7.302 5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.731 -6.553 6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.285 -4.557 7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.594 -4.623 6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.952 -2.604 8.144 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.431 -2.607 7.600 1.00 0.00 H new ATOM 972 N LYS A 66 1.821 -9.672 6.940 1.00 0.00 N ATOM 973 CA LYS A 66 1.324 -10.908 6.351 1.00 0.00 C ATOM 974 C LYS A 66 1.366 -10.832 4.827 1.00 0.00 C ATOM 975 O LYS A 66 0.329 -10.763 4.155 1.00 0.00 O ATOM 976 CB LYS A 66 -0.098 -11.200 6.830 1.00 0.00 C ATOM 977 CG LYS A 66 -0.197 -11.483 8.321 1.00 0.00 C ATOM 978 CD LYS A 66 0.633 -12.691 8.739 1.00 0.00 C ATOM 979 CE LYS A 66 0.087 -13.992 8.165 1.00 0.00 C ATOM 980 NZ LYS A 66 0.322 -14.111 6.698 1.00 0.00 N ATOM 0 H LYS A 66 1.113 -9.126 7.431 1.00 0.00 H new ATOM 0 HA LYS A 66 1.971 -11.723 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.735 -10.349 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.488 -12.057 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.136 -10.607 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.240 -11.652 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.663 -12.554 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.654 -12.756 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.555 -14.835 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.983 -14.053 8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.622 -15.081 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.557 -13.892 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.065 -13.443 6.410 1.00 0.00 H new ATOM 994 N SER A 67 2.579 -10.841 4.294 1.00 0.00 N ATOM 995 CA SER A 67 2.793 -10.781 2.859 1.00 0.00 C ATOM 996 C SER A 67 2.180 -9.527 2.237 1.00 0.00 C ATOM 997 O SER A 67 1.325 -8.866 2.832 1.00 0.00 O ATOM 998 CB SER A 67 2.237 -12.035 2.187 1.00 0.00 C ATOM 999 OG SER A 67 2.850 -13.204 2.704 1.00 0.00 O ATOM 0 H SER A 67 3.438 -10.890 4.843 1.00 0.00 H new ATOM 0 HA SER A 67 3.869 -10.732 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.159 -12.087 2.341 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.403 -11.979 1.111 1.00 0.00 H new ATOM 0 HG SER A 67 2.476 -13.993 2.259 1.00 0.00 H new ATOM 1005 N ALA A 68 2.637 -9.212 1.029 1.00 0.00 N ATOM 1006 CA ALA A 68 2.166 -8.045 0.293 1.00 0.00 C ATOM 1007 C ALA A 68 0.648 -8.009 0.206 1.00 0.00 C ATOM 1008 O ALA A 68 0.050 -6.938 0.094 1.00 0.00 O ATOM 1009 CB ALA A 68 2.779 -8.036 -1.099 1.00 0.00 C ATOM 0 H ALA A 68 3.343 -9.758 0.534 1.00 0.00 H new ATOM 0 HA ALA A 68 2.481 -7.153 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.425 -7.163 -1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.865 -7.998 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.486 -8.941 -1.631 1.00 0.00 H new ATOM 1015 N GLU A 69 0.025 -9.178 0.254 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.424 -9.265 0.175 1.00 0.00 C ATOM 1017 C GLU A 69 -2.096 -8.469 1.293 1.00 0.00 C ATOM 1018 O GLU A 69 -3.005 -7.675 1.029 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.874 -10.724 0.226 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.417 -11.449 1.467 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.753 -12.927 1.441 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.953 -13.261 1.348 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.816 -13.750 1.516 1.00 0.00 O ATOM 0 H GLU A 69 0.500 -10.076 0.347 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.729 -8.830 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.962 -10.763 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.492 -11.245 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.339 -11.328 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.880 -10.991 2.341 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.667 -8.669 2.544 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.281 -7.943 3.643 1.00 0.00 C ATOM 1032 C GLU A 70 -1.848 -6.486 3.645 1.00 0.00 C ATOM 1033 O GLU A 70 -2.610 -5.610 4.033 1.00 0.00 O ATOM 1034 CB GLU A 70 -2.015 -8.611 4.998 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.727 -8.185 5.671 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.918 -7.944 7.159 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.717 -7.059 7.523 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.262 -8.643 7.959 1.00 0.00 O ATOM 0 H GLU A 70 -0.919 -9.310 2.809 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.359 -7.972 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.848 -8.391 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.996 -9.692 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.032 -8.953 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.355 -7.275 5.201 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.626 -6.230 3.206 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.114 -4.868 3.152 1.00 0.00 C ATOM 1047 C VAL A 71 -0.908 -4.036 2.155 1.00 0.00 C ATOM 1048 O VAL A 71 -1.209 -2.870 2.404 1.00 0.00 O ATOM 1049 CB VAL A 71 1.373 -4.856 2.782 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.910 -3.432 2.730 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.148 -5.696 3.781 1.00 0.00 C ATOM 0 H VAL A 71 0.028 -6.943 2.883 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.226 -4.429 4.143 1.00 0.00 H new ATOM 0 HB VAL A 71 1.496 -5.286 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.967 -3.451 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.359 -2.862 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.789 -2.962 3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.206 -5.689 3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.019 -5.283 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.776 -6.721 3.761 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.257 -4.647 1.029 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.028 -3.964 -0.001 1.00 0.00 C ATOM 1063 C ALA A 72 -3.410 -3.581 0.520 1.00 0.00 C ATOM 1064 O ALA A 72 -3.839 -2.436 0.379 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.152 -4.845 -1.234 1.00 0.00 C ATOM 0 H ALA A 72 -1.018 -5.613 0.807 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.502 -3.049 -0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.730 -4.324 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.159 -5.070 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.656 -5.774 -0.968 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.100 -4.545 1.124 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.436 -4.305 1.667 1.00 0.00 C ATOM 1073 C ASP A 73 -5.381 -3.371 2.875 1.00 0.00 C ATOM 1074 O ASP A 73 -6.225 -2.491 3.032 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.090 -5.630 2.063 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.242 -6.574 0.888 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -6.929 -6.203 -0.087 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -5.675 -7.686 0.942 1.00 0.00 O ATOM 0 H ASP A 73 -3.758 -5.498 1.250 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.033 -3.826 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.491 -6.111 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.071 -5.433 2.496 1.00 0.00 H new ATOM 1083 N THR A 74 -4.387 -3.577 3.728 1.00 0.00 N ATOM 1084 CA THR A 74 -4.213 -2.769 4.930 1.00 0.00 C ATOM 1085 C THR A 74 -4.046 -1.290 4.591 1.00 0.00 C ATOM 1086 O THR A 74 -4.738 -0.435 5.143 1.00 0.00 O ATOM 1087 CB THR A 74 -2.989 -3.250 5.740 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.199 -4.592 6.192 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.722 -2.347 6.935 1.00 0.00 C ATOM 0 H THR A 74 -3.682 -4.304 3.609 1.00 0.00 H new ATOM 0 HA THR A 74 -5.115 -2.888 5.531 1.00 0.00 H new ATOM 0 HB THR A 74 -2.120 -3.213 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.380 -5.172 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.854 -2.715 7.482 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.529 -1.332 6.588 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.592 -2.346 7.592 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.120 -0.996 3.686 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.857 0.379 3.280 1.00 0.00 C ATOM 1099 C ILE A 75 -4.108 1.035 2.697 1.00 0.00 C ATOM 1100 O ILE A 75 -4.518 2.108 3.137 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.711 0.441 2.247 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.400 -0.021 2.888 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.563 1.846 1.686 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.766 -0.050 1.925 1.00 0.00 C ATOM 0 H ILE A 75 -2.538 -1.692 3.219 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.560 0.928 4.174 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.954 -0.228 1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.158 0.642 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.541 -1.018 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.750 1.864 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.491 2.142 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.342 2.540 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.661 -0.387 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.545 -0.735 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.933 0.950 1.526 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.705 0.386 1.706 1.00 0.00 N ATOM 1117 CA VAL A 76 -5.903 0.911 1.063 1.00 0.00 C ATOM 1118 C VAL A 76 -7.053 1.086 2.054 1.00 0.00 C ATOM 1119 O VAL A 76 -7.767 2.088 2.013 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.365 0.009 -0.100 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.417 0.142 -1.281 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.464 -1.441 0.346 1.00 0.00 C ATOM 0 H VAL A 76 -4.380 -0.505 1.330 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.632 1.890 0.667 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.357 0.335 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.756 -0.500 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.401 1.178 -1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.413 -0.156 -0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.792 -2.058 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.488 -1.784 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.184 -1.523 1.160 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.234 0.112 2.939 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.307 0.173 3.929 1.00 0.00 C ATOM 1134 C ASN A 77 -8.146 1.376 4.856 1.00 0.00 C ATOM 1135 O ASN A 77 -9.072 2.169 5.022 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.342 -1.115 4.759 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.735 -2.351 3.957 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -9.007 -2.187 2.662 1.00 0.00 O flip ATOM 1139 ND2 ASN A 77 -8.793 -3.454 4.502 1.00 0.00 N flip ATOM 0 H ASN A 77 -6.655 -0.726 2.993 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.247 0.282 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.360 -1.278 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.046 -0.988 5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.578 -3.544 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.056 -4.277 3.960 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.973 1.497 5.466 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.698 2.593 6.386 1.00 0.00 C ATOM 1148 C LYS A 78 -6.543 3.919 5.649 1.00 0.00 C ATOM 1149 O LYS A 78 -6.993 4.962 6.125 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.432 2.296 7.182 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.476 0.960 7.909 1.00 0.00 C ATOM 1152 CD LYS A 78 -4.293 0.790 8.849 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.356 1.773 10.007 1.00 0.00 C ATOM 1154 NZ LYS A 78 -5.563 1.560 10.854 1.00 0.00 N ATOM 0 H LYS A 78 -6.196 0.848 5.340 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.547 2.681 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.576 2.306 6.507 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.274 3.092 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.404 0.885 8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.481 0.149 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.278 -0.229 9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.364 0.935 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.460 1.670 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.361 2.791 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.432 2.035 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.397 1.955 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.703 0.541 11.009 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.886 3.875 4.496 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.652 5.080 3.704 1.00 0.00 C ATOM 1170 C ALA A 79 -6.951 5.652 3.145 1.00 0.00 C ATOM 1171 O ALA A 79 -7.067 6.862 2.951 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.683 4.781 2.569 1.00 0.00 C ATOM 0 H ALA A 79 -5.506 3.021 4.088 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.217 5.830 4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.516 5.686 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.735 4.435 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.103 4.007 1.926 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.926 4.787 2.889 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.196 5.251 2.359 1.00 0.00 C ATOM 1180 C GLY A 80 -9.937 4.180 1.591 1.00 0.00 C ATOM 1181 O GLY A 80 -11.092 3.873 1.884 1.00 0.00 O ATOM 0 H GLY A 80 -7.862 3.780 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.821 5.601 3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.021 6.105 1.705 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.265 3.622 0.598 1.00 0.00 N ATOM 1186 CA LEU A 81 -9.843 2.586 -0.242 1.00 0.00 C ATOM 1187 C LEU A 81 -10.026 1.288 0.540 1.00 0.00 C ATOM 1188 O LEU A 81 -10.674 1.329 1.606 1.00 0.00 O ATOM 1189 CB LEU A 81 -8.942 2.365 -1.455 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.536 3.648 -2.184 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.394 3.372 -3.148 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.724 4.241 -2.924 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.520 0.242 0.083 1.00 0.00 O ATOM 0 H LEU A 81 -8.307 3.873 0.352 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.829 2.907 -0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.040 1.844 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.455 1.709 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.197 4.372 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.117 4.295 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.535 2.992 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.709 2.631 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.416 5.152 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.093 3.522 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.516 4.475 -2.213 1.00 0.00 H new TER 1205 LEU A 81