USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=18 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 -42:sc= -2.92! USER MOD Set 1.2: A 48 MET CE :methyl -138:sc= -2.79! (180deg=-2.56!) USER MOD Set 1.3: A 51 LYS NZ :NH3+ -164:sc= -1.13! (180deg=0.927) USER MOD Set 2.1: A 32 TYR OH : rot -113:sc= -3.93! USER MOD Set 2.2: A 65 HIS : no HD1:sc= -3.26! C(o=-7.2!,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.167 (180deg=-0.243) 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 38:sc= 0.00369 USER MOD Single : A 10 THR OG1 : rot 130:sc= -1.72! USER MOD Single : A 11 ASN :FLIP amide:sc= -1.35 F(o=-5.1!,f=-1.3) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) 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= -6.57! C(o=-6.6!,f=-22!) USER MOD Single : A 54 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.0281 X(o=0.028,f=-0.017) USER MOD Single : A 64 SER OG : rot 180:sc= -0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.460 -0.938 -0.586 1.00 0.00 N ATOM 2 CA MET A 1 3.246 -1.442 -1.288 1.00 0.00 C ATOM 3 C MET A 1 3.362 -2.951 -1.478 1.00 0.00 C ATOM 4 O MET A 1 4.364 -3.558 -1.099 1.00 0.00 O ATOM 5 CB MET A 1 3.126 -0.752 -2.650 1.00 0.00 C ATOM 6 CG MET A 1 2.726 0.711 -2.449 1.00 0.00 C ATOM 7 SD MET A 1 2.627 1.535 -4.059 1.00 0.00 S ATOM 8 CE MET A 1 2.018 3.132 -3.461 1.00 0.00 C ATOM 0 H1 MET A 1 4.187 -0.534 0.333 1.00 0.00 H new ATOM 0 H2 MET A 1 5.125 -1.723 -0.435 1.00 0.00 H new ATOM 0 H3 MET A 1 4.916 -0.204 -1.165 1.00 0.00 H new ATOM 0 HA MET A 1 2.358 -1.223 -0.695 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.075 -0.810 -3.184 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.383 -1.262 -3.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.765 0.770 -1.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.455 1.215 -1.815 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.883 3.809 -4.305 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.064 2.991 -2.953 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.740 3.559 -2.765 1.00 0.00 H new ATOM 16 N THR A 2 2.333 -3.551 -2.067 1.00 0.00 N ATOM 17 CA THR A 2 2.332 -4.991 -2.303 1.00 0.00 C ATOM 18 C THR A 2 2.331 -5.286 -3.800 1.00 0.00 C ATOM 19 O THR A 2 1.510 -4.756 -4.548 1.00 0.00 O ATOM 20 CB THR A 2 1.102 -5.628 -1.653 1.00 0.00 C ATOM 21 OG1 THR A 2 1.130 -5.382 -0.252 1.00 0.00 O ATOM 22 CG2 THR A 2 1.112 -7.136 -1.907 1.00 0.00 C ATOM 0 H THR A 2 1.494 -3.067 -2.388 1.00 0.00 H new ATOM 0 HA THR A 2 3.234 -5.414 -1.860 1.00 0.00 H new ATOM 0 HB THR A 2 0.198 -5.196 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 2 0.342 -5.787 0.167 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.235 -7.589 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.093 -7.324 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.015 -7.571 -1.478 1.00 0.00 H new ATOM 30 N THR A 3 3.263 -6.129 -4.230 1.00 0.00 N ATOM 31 CA THR A 3 3.369 -6.485 -5.642 1.00 0.00 C ATOM 32 C THR A 3 3.162 -7.978 -5.848 1.00 0.00 C ATOM 33 O THR A 3 3.793 -8.801 -5.186 1.00 0.00 O ATOM 34 CB THR A 3 4.746 -6.081 -6.174 1.00 0.00 C ATOM 35 OG1 THR A 3 4.907 -4.675 -6.053 1.00 0.00 O ATOM 36 CG2 THR A 3 4.872 -6.493 -7.640 1.00 0.00 C ATOM 0 H THR A 3 3.953 -6.577 -3.626 1.00 0.00 H new ATOM 0 HA THR A 3 2.591 -5.951 -6.187 1.00 0.00 H new ATOM 0 HB THR A 3 5.521 -6.583 -5.594 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.789 -4.416 -6.392 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.853 -6.204 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.754 -7.573 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.098 -5.996 -8.225 1.00 0.00 H new ATOM 44 N PHE A 4 2.272 -8.322 -6.772 1.00 0.00 N ATOM 45 CA PHE A 4 1.988 -9.717 -7.060 1.00 0.00 C ATOM 46 C PHE A 4 2.729 -10.164 -8.317 1.00 0.00 C ATOM 47 O PHE A 4 2.744 -9.457 -9.325 1.00 0.00 O ATOM 48 CB PHE A 4 0.485 -9.902 -7.261 1.00 0.00 C ATOM 49 CG PHE A 4 -0.237 -9.608 -5.968 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.415 -10.621 -5.019 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.729 -8.321 -5.719 1.00 0.00 C ATOM 52 CE1 PHE A 4 -1.086 -10.348 -3.821 1.00 0.00 C ATOM 53 CE2 PHE A 4 -1.401 -8.047 -4.521 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.579 -9.061 -3.571 1.00 0.00 C ATOM 0 H PHE A 4 1.739 -7.656 -7.330 1.00 0.00 H new ATOM 0 HA PHE A 4 2.324 -10.324 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.128 -9.238 -8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.273 -10.921 -7.584 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.035 -11.613 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.590 -7.539 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.224 -11.130 -3.089 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.782 -7.055 -4.330 1.00 0.00 H new ATOM 0 HZ PHE A 4 -2.096 -8.851 -2.646 1.00 0.00 H new ATOM 64 N THR A 5 3.349 -11.337 -8.249 1.00 0.00 N ATOM 65 CA THR A 5 4.095 -11.864 -9.385 1.00 0.00 C ATOM 66 C THR A 5 3.597 -13.259 -9.758 1.00 0.00 C ATOM 67 O THR A 5 3.425 -14.117 -8.891 1.00 0.00 O ATOM 68 CB THR A 5 5.586 -11.928 -9.049 1.00 0.00 C ATOM 69 OG1 THR A 5 6.056 -10.623 -8.742 1.00 0.00 O ATOM 70 CG2 THR A 5 6.358 -12.482 -10.248 1.00 0.00 C ATOM 0 H THR A 5 3.350 -11.938 -7.425 1.00 0.00 H new ATOM 0 HA THR A 5 3.941 -11.197 -10.233 1.00 0.00 H new ATOM 0 HB THR A 5 5.738 -12.581 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.011 -10.662 -8.525 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.420 -12.527 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.996 -13.483 -10.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.208 -11.831 -11.109 1.00 0.00 H new ATOM 78 N SER A 6 3.365 -13.479 -11.048 1.00 0.00 N ATOM 79 CA SER A 6 2.889 -14.778 -11.513 1.00 0.00 C ATOM 80 C SER A 6 3.588 -15.179 -12.808 1.00 0.00 C ATOM 81 O SER A 6 4.026 -14.325 -13.579 1.00 0.00 O ATOM 82 CB SER A 6 1.380 -14.724 -11.745 1.00 0.00 C ATOM 83 OG SER A 6 1.102 -13.805 -12.794 1.00 0.00 O ATOM 0 H SER A 6 3.497 -12.784 -11.783 1.00 0.00 H new ATOM 0 HA SER A 6 3.117 -15.521 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.004 -15.714 -12.003 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.870 -14.417 -10.832 1.00 0.00 H new ATOM 0 HG SER A 6 1.661 -13.007 -12.687 1.00 0.00 H new ATOM 89 N ILE A 7 3.677 -16.484 -13.044 1.00 0.00 N ATOM 90 CA ILE A 7 4.309 -17.013 -14.248 1.00 0.00 C ATOM 91 C ILE A 7 3.568 -18.272 -14.688 1.00 0.00 C ATOM 92 O ILE A 7 3.057 -19.013 -13.846 1.00 0.00 O ATOM 93 CB ILE A 7 5.774 -17.354 -13.969 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.485 -16.132 -13.383 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.459 -17.764 -15.273 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.433 -14.975 -14.383 1.00 0.00 C ATOM 0 H ILE A 7 3.317 -17.199 -12.412 1.00 0.00 H new ATOM 0 HA ILE A 7 4.266 -16.261 -15.036 1.00 0.00 H new ATOM 0 HB ILE A 7 5.823 -18.177 -13.256 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.011 -15.838 -12.447 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.521 -16.379 -13.151 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.503 -18.007 -15.075 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.956 -18.637 -15.689 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.407 -16.941 -15.986 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.940 -14.107 -13.962 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.928 -15.271 -15.308 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.394 -14.722 -14.592 1.00 0.00 H new ATOM 108 N VAL A 8 3.507 -18.533 -15.989 1.00 0.00 N ATOM 109 CA VAL A 8 2.820 -19.728 -16.464 1.00 0.00 C ATOM 110 C VAL A 8 3.743 -20.939 -16.365 1.00 0.00 C ATOM 111 O VAL A 8 4.665 -21.104 -17.163 1.00 0.00 O ATOM 112 CB VAL A 8 2.373 -19.537 -17.913 1.00 0.00 C ATOM 113 CG1 VAL A 8 3.598 -19.279 -18.787 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.659 -20.800 -18.399 1.00 0.00 C ATOM 0 H VAL A 8 3.915 -17.949 -16.719 1.00 0.00 H new ATOM 0 HA VAL A 8 1.943 -19.897 -15.840 1.00 0.00 H new ATOM 0 HB VAL A 8 1.691 -18.689 -17.976 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.284 -19.142 -19.822 1.00 0.00 H new ATOM 0 HG12 VAL A 8 4.109 -18.381 -18.441 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.276 -20.130 -18.723 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.340 -20.663 -19.432 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.340 -21.649 -18.339 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.787 -20.989 -17.773 1.00 0.00 H new ATOM 124 N THR A 9 3.469 -21.781 -15.381 1.00 0.00 N ATOM 125 CA THR A 9 4.246 -22.990 -15.155 1.00 0.00 C ATOM 126 C THR A 9 3.351 -24.025 -14.503 1.00 0.00 C ATOM 127 O THR A 9 2.508 -23.671 -13.681 1.00 0.00 O ATOM 128 CB THR A 9 5.434 -22.686 -14.241 1.00 0.00 C ATOM 129 OG1 THR A 9 6.609 -22.534 -15.025 1.00 0.00 O ATOM 130 CG2 THR A 9 5.616 -23.830 -13.242 1.00 0.00 C ATOM 0 H THR A 9 2.705 -21.647 -14.719 1.00 0.00 H new ATOM 0 HA THR A 9 4.625 -23.368 -16.105 1.00 0.00 H new ATOM 0 HB THR A 9 5.248 -21.762 -13.694 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.388 -22.067 -15.858 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.463 -23.613 -12.591 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.713 -23.935 -12.640 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.802 -24.758 -13.782 1.00 0.00 H new ATOM 138 N THR A 10 3.505 -25.296 -14.842 1.00 0.00 N ATOM 139 CA THR A 10 2.642 -26.276 -14.210 1.00 0.00 C ATOM 140 C THR A 10 3.431 -27.331 -13.439 1.00 0.00 C ATOM 141 O THR A 10 3.840 -28.353 -13.987 1.00 0.00 O ATOM 142 CB THR A 10 1.807 -26.957 -15.293 1.00 0.00 C ATOM 143 OG1 THR A 10 1.187 -25.964 -16.099 1.00 0.00 O ATOM 144 CG2 THR A 10 0.735 -27.824 -14.644 1.00 0.00 C ATOM 0 H THR A 10 4.181 -25.658 -15.514 1.00 0.00 H new ATOM 0 HA THR A 10 2.007 -25.758 -13.492 1.00 0.00 H new ATOM 0 HB THR A 10 2.452 -27.583 -15.910 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.353 -26.160 -17.045 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.141 -28.309 -15.419 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.209 -28.583 -14.022 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.088 -27.201 -14.027 1.00 0.00 H new ATOM 152 N ASN A 11 3.626 -27.057 -12.153 1.00 0.00 N ATOM 153 CA ASN A 11 4.351 -27.962 -11.269 1.00 0.00 C ATOM 154 C ASN A 11 3.734 -27.957 -9.880 1.00 0.00 C ATOM 155 O ASN A 11 4.297 -27.393 -8.943 1.00 0.00 O ATOM 156 CB ASN A 11 5.823 -27.561 -11.186 1.00 0.00 C ATOM 157 CG ASN A 11 6.488 -27.760 -12.542 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.715 -26.725 -13.302 1.00 0.00 O flip ATOM 159 ND2 ASN A 11 6.804 -28.887 -12.921 1.00 0.00 N flip ATOM 0 H ASN A 11 3.289 -26.209 -11.698 1.00 0.00 H new ATOM 0 HA ASN A 11 4.283 -28.969 -11.680 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.909 -26.519 -10.878 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.331 -28.160 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.625 -29.695 -12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.245 -29.014 -13.832 1.00 0.00 H new ATOM 166 N PRO A 12 2.595 -28.565 -9.735 1.00 0.00 N ATOM 167 CA PRO A 12 1.886 -28.628 -8.430 1.00 0.00 C ATOM 168 C PRO A 12 2.744 -29.296 -7.359 1.00 0.00 C ATOM 169 O PRO A 12 3.035 -30.490 -7.432 1.00 0.00 O ATOM 170 CB PRO A 12 0.626 -29.452 -8.726 1.00 0.00 C ATOM 171 CG PRO A 12 0.886 -30.141 -10.027 1.00 0.00 C ATOM 172 CD PRO A 12 1.865 -29.258 -10.797 1.00 0.00 C ATOM 0 HA PRO A 12 1.655 -27.638 -8.038 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.436 -30.174 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.254 -28.812 -8.792 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.305 -31.134 -9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.039 -30.274 -10.587 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.532 -29.849 -11.425 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.347 -28.558 -11.452 1.00 0.00 H new ATOM 180 N ASP A 13 3.137 -28.508 -6.369 1.00 0.00 N ATOM 181 CA ASP A 13 3.959 -29.011 -5.274 1.00 0.00 C ATOM 182 C ASP A 13 3.273 -28.770 -3.933 1.00 0.00 C ATOM 183 O ASP A 13 2.729 -27.693 -3.691 1.00 0.00 O ATOM 184 CB ASP A 13 5.322 -28.317 -5.284 1.00 0.00 C ATOM 185 CG ASP A 13 6.142 -28.798 -6.475 1.00 0.00 C ATOM 186 OD1 ASP A 13 7.144 -28.167 -6.774 1.00 0.00 O ATOM 187 OD2 ASP A 13 5.759 -29.790 -7.072 1.00 0.00 O ATOM 0 H ASP A 13 2.901 -27.518 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 13 4.096 -30.084 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.189 -27.236 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.854 -28.528 -4.356 1.00 0.00 H new ATOM 192 N PHE A 14 3.304 -29.773 -3.063 1.00 0.00 N ATOM 193 CA PHE A 14 2.682 -29.647 -1.750 1.00 0.00 C ATOM 194 C PHE A 14 3.742 -29.538 -0.659 1.00 0.00 C ATOM 195 O PHE A 14 3.452 -29.122 0.462 1.00 0.00 O ATOM 196 CB PHE A 14 1.791 -30.860 -1.478 1.00 0.00 C ATOM 197 CG PHE A 14 0.693 -30.922 -2.512 1.00 0.00 C ATOM 198 CD1 PHE A 14 0.861 -31.694 -3.668 1.00 0.00 C ATOM 199 CD2 PHE A 14 -0.494 -30.204 -2.317 1.00 0.00 C ATOM 200 CE1 PHE A 14 -0.156 -31.750 -4.628 1.00 0.00 C ATOM 201 CE2 PHE A 14 -1.512 -30.260 -3.277 1.00 0.00 C ATOM 202 CZ PHE A 14 -1.343 -31.033 -4.432 1.00 0.00 C ATOM 0 H PHE A 14 3.748 -30.674 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 14 2.077 -28.740 -1.742 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.384 -31.774 -1.507 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.360 -30.791 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.776 -32.247 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.624 -29.607 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.025 -32.346 -5.519 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.427 -29.707 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.128 -31.076 -5.172 1.00 0.00 H new ATOM 212 N GLY A 15 4.968 -29.928 -0.991 1.00 0.00 N ATOM 213 CA GLY A 15 6.063 -29.884 -0.028 1.00 0.00 C ATOM 214 C GLY A 15 6.321 -28.463 0.464 1.00 0.00 C ATOM 215 O GLY A 15 6.577 -28.248 1.649 1.00 0.00 O ATOM 0 H GLY A 15 5.228 -30.276 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.828 -30.527 0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.968 -30.281 -0.487 1.00 0.00 H new ATOM 219 N GLY A 16 6.251 -27.495 -0.445 1.00 0.00 N ATOM 220 CA GLY A 16 6.480 -26.103 -0.077 1.00 0.00 C ATOM 221 C GLY A 16 5.173 -25.323 -0.072 1.00 0.00 C ATOM 222 O GLY A 16 4.092 -25.907 -0.139 1.00 0.00 O ATOM 0 H GLY A 16 6.040 -27.647 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.942 -26.054 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.178 -25.647 -0.779 1.00 0.00 H new ATOM 226 N PHE A 17 5.278 -24.000 -0.002 1.00 0.00 N ATOM 227 CA PHE A 17 4.090 -23.155 -0.001 1.00 0.00 C ATOM 228 C PHE A 17 3.912 -22.494 -1.364 1.00 0.00 C ATOM 229 O PHE A 17 4.676 -21.608 -1.742 1.00 0.00 O ATOM 230 CB PHE A 17 4.205 -22.088 1.092 1.00 0.00 C ATOM 231 CG PHE A 17 5.458 -21.271 0.882 1.00 0.00 C ATOM 232 CD1 PHE A 17 6.665 -21.682 1.460 1.00 0.00 C ATOM 233 CD2 PHE A 17 5.413 -20.100 0.114 1.00 0.00 C ATOM 234 CE1 PHE A 17 7.826 -20.923 1.270 1.00 0.00 C ATOM 235 CE2 PHE A 17 6.574 -19.342 -0.075 1.00 0.00 C ATOM 236 CZ PHE A 17 7.781 -19.754 0.503 1.00 0.00 C ATOM 0 H PHE A 17 6.162 -23.495 0.054 1.00 0.00 H new ATOM 0 HA PHE A 17 3.218 -23.776 0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.330 -21.439 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.229 -22.561 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.701 -22.584 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.482 -19.782 -0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.757 -21.240 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.539 -18.439 -0.667 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.677 -19.169 0.357 1.00 0.00 H new ATOM 246 N GLU A 18 2.888 -22.926 -2.091 1.00 0.00 N ATOM 247 CA GLU A 18 2.602 -22.361 -3.405 1.00 0.00 C ATOM 248 C GLU A 18 1.128 -22.531 -3.748 1.00 0.00 C ATOM 249 O GLU A 18 0.535 -23.573 -3.470 1.00 0.00 O ATOM 250 CB GLU A 18 3.454 -23.046 -4.474 1.00 0.00 C ATOM 251 CG GLU A 18 4.934 -22.774 -4.203 1.00 0.00 C ATOM 252 CD GLU A 18 5.493 -23.828 -3.254 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.706 -24.594 -2.720 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.700 -23.856 -3.073 1.00 0.00 O ATOM 0 H GLU A 18 2.245 -23.661 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 18 2.843 -21.298 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.265 -24.119 -4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.181 -22.677 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.491 -22.784 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.056 -21.781 -3.770 1.00 0.00 H new ATOM 261 N PHE A 19 0.538 -21.509 -4.359 1.00 0.00 N ATOM 262 CA PHE A 19 -0.867 -21.574 -4.738 1.00 0.00 C ATOM 263 C PHE A 19 -1.005 -21.470 -6.251 1.00 0.00 C ATOM 264 O PHE A 19 -0.434 -20.574 -6.874 1.00 0.00 O ATOM 265 CB PHE A 19 -1.644 -20.435 -4.076 1.00 0.00 C ATOM 266 CG PHE A 19 -3.102 -20.539 -4.455 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.624 -19.738 -5.477 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.933 -21.443 -3.779 1.00 0.00 C ATOM 269 CE1 PHE A 19 -4.978 -19.842 -5.826 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.285 -21.545 -4.128 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.807 -20.745 -5.150 1.00 0.00 C ATOM 0 H PHE A 19 1.006 -20.635 -4.600 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.274 -22.528 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.534 -20.486 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.242 -19.473 -4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.984 -19.040 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.531 -22.060 -2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.381 -19.226 -6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.925 -22.242 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.850 -20.824 -5.418 1.00 0.00 H new ATOM 281 N TYR A 20 -1.761 -22.389 -6.840 1.00 0.00 N ATOM 282 CA TYR A 20 -1.956 -22.381 -8.284 1.00 0.00 C ATOM 283 C TYR A 20 -3.442 -22.379 -8.623 1.00 0.00 C ATOM 284 O TYR A 20 -4.228 -23.098 -8.005 1.00 0.00 O ATOM 285 CB TYR A 20 -1.311 -23.622 -8.906 1.00 0.00 C ATOM 286 CG TYR A 20 0.167 -23.649 -8.594 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.642 -24.446 -7.547 1.00 0.00 C ATOM 288 CD2 TYR A 20 1.060 -22.885 -9.354 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.010 -24.480 -7.257 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.430 -22.918 -9.065 1.00 0.00 C ATOM 291 CZ TYR A 20 2.905 -23.716 -8.015 1.00 0.00 C ATOM 292 OH TYR A 20 4.255 -23.749 -7.731 1.00 0.00 O ATOM 0 H TYR A 20 -2.244 -23.140 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.492 -21.480 -8.685 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.789 -24.522 -8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.463 -23.618 -9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.048 -25.036 -6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.693 -22.270 -10.163 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.376 -25.096 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.120 -22.329 -9.651 1.00 0.00 H new ATOM 0 HH TYR A 20 4.734 -23.162 -8.353 1.00 0.00 H new ATOM 302 N VAL A 21 -3.825 -21.578 -9.612 1.00 0.00 N ATOM 303 CA VAL A 21 -5.221 -21.514 -10.019 1.00 0.00 C ATOM 304 C VAL A 21 -5.478 -22.498 -11.153 1.00 0.00 C ATOM 305 O VAL A 21 -4.902 -22.376 -12.234 1.00 0.00 O ATOM 306 CB VAL A 21 -5.575 -20.099 -10.493 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.022 -20.073 -10.981 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.414 -19.110 -9.335 1.00 0.00 C ATOM 0 H VAL A 21 -3.197 -20.972 -10.140 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.842 -21.772 -9.161 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.908 -19.816 -11.307 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.274 -19.068 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.140 -20.773 -11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.686 -20.360 -10.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.666 -18.106 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.079 -19.394 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.382 -19.125 -8.984 1.00 0.00 H new ATOM 318 N GLU A 22 -6.347 -23.470 -10.904 1.00 0.00 N ATOM 319 CA GLU A 22 -6.671 -24.461 -11.921 1.00 0.00 C ATOM 320 C GLU A 22 -7.390 -23.793 -13.086 1.00 0.00 C ATOM 321 O GLU A 22 -8.309 -23.002 -12.883 1.00 0.00 O ATOM 322 CB GLU A 22 -7.561 -25.555 -11.326 1.00 0.00 C ATOM 323 CG GLU A 22 -7.820 -26.630 -12.383 1.00 0.00 C ATOM 324 CD GLU A 22 -8.669 -27.750 -11.789 1.00 0.00 C ATOM 325 OE1 GLU A 22 -8.957 -28.692 -12.509 1.00 0.00 O ATOM 326 OE2 GLU A 22 -9.017 -27.650 -10.625 1.00 0.00 O ATOM 0 H GLU A 22 -6.835 -23.593 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.745 -24.911 -12.280 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.080 -25.996 -10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.505 -25.127 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.329 -26.192 -13.242 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.874 -27.032 -12.744 1.00 0.00 H new ATOM 333 N ALA A 23 -6.964 -24.098 -14.304 1.00 0.00 N ATOM 334 CA ALA A 23 -7.586 -23.492 -15.472 1.00 0.00 C ATOM 335 C ALA A 23 -9.100 -23.503 -15.313 1.00 0.00 C ATOM 336 O ALA A 23 -9.702 -24.549 -15.072 1.00 0.00 O ATOM 337 CB ALA A 23 -7.195 -24.261 -16.734 1.00 0.00 C ATOM 0 H ALA A 23 -6.205 -24.749 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.240 -22.462 -15.562 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.666 -23.799 -17.602 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.112 -24.238 -16.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.528 -25.295 -16.648 1.00 0.00 H new ATOM 343 N GLY A 24 -9.709 -22.329 -15.444 1.00 0.00 N ATOM 344 CA GLY A 24 -11.156 -22.211 -15.305 1.00 0.00 C ATOM 345 C GLY A 24 -11.560 -22.191 -13.832 1.00 0.00 C ATOM 346 O GLY A 24 -12.741 -22.314 -13.504 1.00 0.00 O ATOM 0 H GLY A 24 -9.228 -21.452 -15.645 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.500 -21.299 -15.793 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.643 -23.045 -15.809 1.00 0.00 H new ATOM 350 N GLN A 25 -10.575 -22.042 -12.947 1.00 0.00 N ATOM 351 CA GLN A 25 -10.847 -22.016 -11.513 1.00 0.00 C ATOM 352 C GLN A 25 -10.699 -20.598 -10.967 1.00 0.00 C ATOM 353 O GLN A 25 -9.729 -19.902 -11.270 1.00 0.00 O ATOM 354 CB GLN A 25 -9.885 -22.956 -10.782 1.00 0.00 C ATOM 355 CG GLN A 25 -10.173 -22.923 -9.282 1.00 0.00 C ATOM 356 CD GLN A 25 -11.581 -23.438 -9.009 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.094 -24.274 -9.755 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.233 -22.999 -7.971 1.00 0.00 N ATOM 0 H GLN A 25 -9.591 -21.938 -13.196 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.871 -22.350 -11.348 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.996 -23.972 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.854 -22.656 -10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.444 -23.534 -8.750 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.070 -21.905 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.806 -22.307 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.171 -23.347 -7.773 1.00 0.00 H new ATOM 367 N GLN A 26 -11.672 -20.178 -10.164 1.00 0.00 N ATOM 368 CA GLN A 26 -11.645 -18.839 -9.585 1.00 0.00 C ATOM 369 C GLN A 26 -10.624 -18.753 -8.457 1.00 0.00 C ATOM 370 O GLN A 26 -10.649 -19.548 -7.516 1.00 0.00 O ATOM 371 CB GLN A 26 -13.028 -18.471 -9.047 1.00 0.00 C ATOM 372 CG GLN A 26 -13.009 -17.031 -8.524 1.00 0.00 C ATOM 373 CD GLN A 26 -14.400 -16.629 -8.047 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.345 -17.412 -8.159 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.586 -15.449 -7.523 1.00 0.00 N ATOM 0 H GLN A 26 -12.482 -20.740 -9.901 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.359 -18.139 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.775 -18.573 -9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.312 -19.155 -8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.295 -16.943 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.676 -16.354 -9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.802 -14.802 -7.431 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.515 -15.173 -7.205 1.00 0.00 H new ATOM 384 N PHE A 27 -9.734 -17.774 -8.561 1.00 0.00 N ATOM 385 CA PHE A 27 -8.703 -17.570 -7.549 1.00 0.00 C ATOM 386 C PHE A 27 -9.327 -17.150 -6.222 1.00 0.00 C ATOM 387 O PHE A 27 -10.117 -16.207 -6.170 1.00 0.00 O ATOM 388 CB PHE A 27 -7.735 -16.485 -8.021 1.00 0.00 C ATOM 389 CG PHE A 27 -6.723 -16.198 -6.939 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.893 -15.093 -6.097 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.613 -17.034 -6.779 1.00 0.00 C ATOM 392 CE1 PHE A 27 -5.953 -14.823 -5.096 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.672 -16.766 -5.777 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.842 -15.661 -4.935 1.00 0.00 C ATOM 0 H PHE A 27 -9.705 -17.109 -9.334 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.168 -18.508 -7.402 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.228 -16.808 -8.930 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.285 -15.577 -8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.750 -14.448 -6.220 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.482 -17.887 -7.429 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.084 -13.969 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.815 -17.412 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.117 -15.454 -4.162 1.00 0.00 H new ATOM 404 N ASP A 28 -8.960 -17.844 -5.150 1.00 0.00 N ATOM 405 CA ASP A 28 -9.486 -17.518 -3.830 1.00 0.00 C ATOM 406 C ASP A 28 -8.570 -16.518 -3.136 1.00 0.00 C ATOM 407 O ASP A 28 -7.545 -16.891 -2.565 1.00 0.00 O ATOM 408 CB ASP A 28 -9.601 -18.786 -2.982 1.00 0.00 C ATOM 409 CG ASP A 28 -10.196 -18.449 -1.619 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.380 -17.273 -1.348 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.460 -19.372 -0.865 1.00 0.00 O ATOM 0 H ASP A 28 -8.307 -18.628 -5.168 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.476 -17.076 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.228 -19.518 -3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.618 -19.240 -2.857 1.00 0.00 H new ATOM 416 N ASP A 29 -8.940 -15.244 -3.194 1.00 0.00 N ATOM 417 CA ASP A 29 -8.140 -14.196 -2.576 1.00 0.00 C ATOM 418 C ASP A 29 -8.252 -14.245 -1.056 1.00 0.00 C ATOM 419 O ASP A 29 -7.372 -13.756 -0.347 1.00 0.00 O ATOM 420 CB ASP A 29 -8.599 -12.826 -3.078 1.00 0.00 C ATOM 421 CG ASP A 29 -10.058 -12.595 -2.701 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.588 -11.560 -3.071 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.624 -13.455 -2.047 1.00 0.00 O ATOM 0 H ASP A 29 -9.785 -14.914 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.098 -14.358 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.975 -12.043 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.481 -12.768 -4.160 1.00 0.00 H new ATOM 428 N SER A 30 -9.332 -14.837 -0.557 1.00 0.00 N ATOM 429 CA SER A 30 -9.529 -14.938 0.884 1.00 0.00 C ATOM 430 C SER A 30 -8.442 -15.802 1.516 1.00 0.00 C ATOM 431 O SER A 30 -7.834 -15.420 2.517 1.00 0.00 O ATOM 432 CB SER A 30 -10.899 -15.544 1.182 1.00 0.00 C ATOM 433 OG SER A 30 -11.071 -15.649 2.590 1.00 0.00 O ATOM 0 H SER A 30 -10.075 -15.249 -1.121 1.00 0.00 H new ATOM 0 HA SER A 30 -9.474 -13.936 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.685 -14.922 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.983 -16.528 0.720 1.00 0.00 H new ATOM 0 HG SER A 30 -11.950 -16.036 2.784 1.00 0.00 H new ATOM 439 N ALA A 31 -8.208 -16.970 0.925 1.00 0.00 N ATOM 440 CA ALA A 31 -7.196 -17.890 1.432 1.00 0.00 C ATOM 441 C ALA A 31 -5.805 -17.283 1.331 1.00 0.00 C ATOM 442 O ALA A 31 -4.970 -17.466 2.216 1.00 0.00 O ATOM 443 CB ALA A 31 -7.244 -19.206 0.654 1.00 0.00 C ATOM 0 H ALA A 31 -8.704 -17.301 0.097 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.412 -18.083 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.484 -19.885 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.228 -19.660 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.053 -19.012 -0.402 1.00 0.00 H new ATOM 449 N TYR A 32 -5.561 -16.568 0.243 1.00 0.00 N ATOM 450 CA TYR A 32 -4.265 -15.945 0.030 1.00 0.00 C ATOM 451 C TYR A 32 -3.949 -15.017 1.195 1.00 0.00 C ATOM 452 O TYR A 32 -2.808 -14.932 1.646 1.00 0.00 O ATOM 453 CB TYR A 32 -4.278 -15.147 -1.274 1.00 0.00 C ATOM 454 CG TYR A 32 -2.876 -14.696 -1.610 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.056 -15.505 -2.405 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.397 -13.472 -1.129 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.758 -15.090 -2.721 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.098 -13.056 -1.445 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.279 -13.865 -2.243 1.00 0.00 C ATOM 460 OH TYR A 32 1.000 -13.455 -2.556 1.00 0.00 O ATOM 0 H TYR A 32 -6.239 -16.406 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.501 -16.720 -0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.677 -15.760 -2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.935 -14.282 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.426 -16.450 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.029 -12.849 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.125 -15.715 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.728 -12.112 -1.074 1.00 0.00 H new ATOM 0 HH TYR A 32 1.546 -13.438 -1.743 1.00 0.00 H new ATOM 470 N GLU A 33 -4.976 -14.325 1.678 1.00 0.00 N ATOM 471 CA GLU A 33 -4.803 -13.406 2.793 1.00 0.00 C ATOM 472 C GLU A 33 -4.337 -14.167 4.028 1.00 0.00 C ATOM 473 O GLU A 33 -3.465 -13.706 4.759 1.00 0.00 O ATOM 474 CB GLU A 33 -6.130 -12.717 3.102 1.00 0.00 C ATOM 475 CG GLU A 33 -6.502 -11.801 1.941 1.00 0.00 C ATOM 476 CD GLU A 33 -7.845 -11.128 2.215 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.219 -10.262 1.442 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.478 -11.491 3.192 1.00 0.00 O ATOM 0 H GLU A 33 -5.928 -14.383 1.317 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.055 -12.661 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.911 -13.460 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.048 -12.141 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.729 -11.045 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.556 -12.376 1.017 1.00 0.00 H new ATOM 485 N GLU A 34 -4.922 -15.340 4.243 1.00 0.00 N ATOM 486 CA GLU A 34 -4.553 -16.167 5.384 1.00 0.00 C ATOM 487 C GLU A 34 -3.366 -17.042 5.033 1.00 0.00 C ATOM 488 O GLU A 34 -2.685 -17.570 5.913 1.00 0.00 O ATOM 489 CB GLU A 34 -5.730 -17.055 5.784 1.00 0.00 C ATOM 490 CG GLU A 34 -6.917 -16.176 6.162 1.00 0.00 C ATOM 491 CD GLU A 34 -8.093 -17.042 6.601 1.00 0.00 C ATOM 492 OE1 GLU A 34 -8.659 -16.753 7.641 1.00 0.00 O ATOM 493 OE2 GLU A 34 -8.410 -17.980 5.890 1.00 0.00 O ATOM 0 H GLU A 34 -5.648 -15.737 3.647 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.287 -15.515 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.999 -17.715 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.452 -17.691 6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.635 -15.497 6.967 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.207 -15.559 5.312 1.00 0.00 H new ATOM 500 N ALA A 35 -3.126 -17.198 3.739 1.00 0.00 N ATOM 501 CA ALA A 35 -2.019 -18.016 3.280 1.00 0.00 C ATOM 502 C ALA A 35 -0.718 -17.220 3.279 1.00 0.00 C ATOM 503 O ALA A 35 0.359 -17.774 3.502 1.00 0.00 O ATOM 504 CB ALA A 35 -2.303 -18.542 1.872 1.00 0.00 C ATOM 0 H ALA A 35 -3.679 -16.772 2.996 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.911 -18.857 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.466 -19.155 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.211 -19.144 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.434 -17.702 1.189 1.00 0.00 H new ATOM 510 N TYR A 36 -0.823 -15.917 3.027 1.00 0.00 N ATOM 511 CA TYR A 36 0.355 -15.057 2.998 1.00 0.00 C ATOM 512 C TYR A 36 0.216 -13.914 4.001 1.00 0.00 C ATOM 513 O TYR A 36 1.144 -13.128 4.192 1.00 0.00 O ATOM 514 CB TYR A 36 0.549 -14.489 1.593 1.00 0.00 C ATOM 515 CG TYR A 36 0.738 -15.626 0.616 1.00 0.00 C ATOM 516 CD1 TYR A 36 2.013 -16.162 0.402 1.00 0.00 C ATOM 517 CD2 TYR A 36 -0.365 -16.147 -0.071 1.00 0.00 C ATOM 518 CE1 TYR A 36 2.186 -17.219 -0.502 1.00 0.00 C ATOM 519 CE2 TYR A 36 -0.192 -17.203 -0.974 1.00 0.00 C ATOM 520 CZ TYR A 36 1.082 -17.739 -1.188 1.00 0.00 C ATOM 521 OH TYR A 36 1.253 -18.780 -2.078 1.00 0.00 O ATOM 0 H TYR A 36 -1.704 -15.438 2.842 1.00 0.00 H new ATOM 0 HA TYR A 36 1.224 -15.655 3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.316 -13.890 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.416 -13.828 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.864 -15.761 0.933 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.349 -15.734 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.170 -17.632 -0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.043 -17.604 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 36 0.387 -19.023 -2.468 1.00 0.00 H new ATOM 531 N GLY A 37 -0.943 -13.836 4.646 1.00 0.00 N ATOM 532 CA GLY A 37 -1.183 -12.794 5.639 1.00 0.00 C ATOM 533 C GLY A 37 -1.176 -11.405 5.006 1.00 0.00 C ATOM 534 O GLY A 37 -0.792 -10.430 5.650 1.00 0.00 O ATOM 0 H GLY A 37 -1.725 -14.475 4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.143 -12.968 6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.418 -12.846 6.414 1.00 0.00 H new ATOM 538 N VAL A 38 -1.591 -11.313 3.744 1.00 0.00 N ATOM 539 CA VAL A 38 -1.610 -10.024 3.058 1.00 0.00 C ATOM 540 C VAL A 38 -2.967 -9.773 2.402 1.00 0.00 C ATOM 541 O VAL A 38 -3.727 -10.704 2.144 1.00 0.00 O ATOM 542 CB VAL A 38 -0.514 -9.984 1.994 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.853 -10.160 2.660 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.740 -11.117 0.991 1.00 0.00 C ATOM 0 H VAL A 38 -1.914 -12.102 3.184 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.432 -9.243 3.798 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.545 -9.025 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.634 -10.131 1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.015 -9.355 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.885 -11.119 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.041 -11.091 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.708 -12.075 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.713 -10.994 0.516 1.00 0.00 H new ATOM 554 N SER A 39 -3.257 -8.504 2.136 1.00 0.00 N ATOM 555 CA SER A 39 -4.524 -8.136 1.509 1.00 0.00 C ATOM 556 C SER A 39 -4.439 -8.273 -0.009 1.00 0.00 C ATOM 557 O SER A 39 -3.578 -7.671 -0.650 1.00 0.00 O ATOM 558 CB SER A 39 -4.884 -6.695 1.874 1.00 0.00 C ATOM 559 OG SER A 39 -6.057 -6.310 1.171 1.00 0.00 O ATOM 0 H SER A 39 -2.640 -7.719 2.342 1.00 0.00 H new ATOM 0 HA SER A 39 -5.297 -8.811 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.046 -6.610 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.060 -6.027 1.622 1.00 0.00 H new ATOM 0 HG SER A 39 -6.290 -5.387 1.405 1.00 0.00 H new ATOM 565 N VAL A 40 -5.339 -9.074 -0.575 1.00 0.00 N ATOM 566 CA VAL A 40 -5.361 -9.290 -2.019 1.00 0.00 C ATOM 567 C VAL A 40 -6.498 -8.504 -2.664 1.00 0.00 C ATOM 568 O VAL A 40 -7.672 -8.805 -2.446 1.00 0.00 O ATOM 569 CB VAL A 40 -5.545 -10.778 -2.318 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.547 -11.000 -3.831 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.399 -11.570 -1.689 1.00 0.00 C ATOM 0 H VAL A 40 -6.058 -9.581 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.413 -8.945 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.493 -11.116 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.678 -12.061 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.365 -10.436 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.600 -10.661 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.530 -12.631 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.451 -11.231 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.398 -11.414 -0.610 1.00 0.00 H new ATOM 581 N PRO A 41 -6.173 -7.514 -3.449 1.00 0.00 N ATOM 582 CA PRO A 41 -7.189 -6.669 -4.143 1.00 0.00 C ATOM 583 C PRO A 41 -7.914 -7.431 -5.251 1.00 0.00 C ATOM 584 O PRO A 41 -7.331 -8.286 -5.915 1.00 0.00 O ATOM 585 CB PRO A 41 -6.364 -5.517 -4.717 1.00 0.00 C ATOM 586 CG PRO A 41 -4.993 -6.075 -4.893 1.00 0.00 C ATOM 587 CD PRO A 41 -4.801 -7.087 -3.764 1.00 0.00 C ATOM 0 HA PRO A 41 -7.980 -6.339 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.775 -5.172 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.358 -4.661 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.889 -6.553 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.242 -5.287 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.182 -7.927 -4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.312 -6.637 -2.900 1.00 0.00 H new ATOM 595 N SER A 42 -9.195 -7.123 -5.427 1.00 0.00 N ATOM 596 CA SER A 42 -10.011 -7.788 -6.436 1.00 0.00 C ATOM 597 C SER A 42 -9.461 -7.574 -7.845 1.00 0.00 C ATOM 598 O SER A 42 -9.524 -8.472 -8.684 1.00 0.00 O ATOM 599 CB SER A 42 -11.444 -7.260 -6.367 1.00 0.00 C ATOM 600 OG SER A 42 -12.025 -7.640 -5.128 1.00 0.00 O ATOM 0 H SER A 42 -9.691 -6.416 -4.883 1.00 0.00 H new ATOM 0 HA SER A 42 -9.991 -8.857 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.449 -6.175 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.031 -7.659 -7.194 1.00 0.00 H new ATOM 0 HG SER A 42 -12.943 -7.301 -5.080 1.00 0.00 H new ATOM 606 N ALA A 43 -8.950 -6.377 -8.114 1.00 0.00 N ATOM 607 CA ALA A 43 -8.430 -6.070 -9.444 1.00 0.00 C ATOM 608 C ALA A 43 -7.300 -7.021 -9.836 1.00 0.00 C ATOM 609 O ALA A 43 -7.238 -7.475 -10.977 1.00 0.00 O ATOM 610 CB ALA A 43 -7.919 -4.630 -9.481 1.00 0.00 C ATOM 0 H ALA A 43 -8.884 -5.613 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.244 -6.194 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.532 -4.407 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.736 -3.948 -9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.123 -4.507 -8.746 1.00 0.00 H new ATOM 616 N VAL A 44 -6.403 -7.320 -8.903 1.00 0.00 N ATOM 617 CA VAL A 44 -5.295 -8.220 -9.210 1.00 0.00 C ATOM 618 C VAL A 44 -5.794 -9.660 -9.353 1.00 0.00 C ATOM 619 O VAL A 44 -5.269 -10.432 -10.157 1.00 0.00 O ATOM 620 CB VAL A 44 -4.223 -8.143 -8.118 1.00 0.00 C ATOM 621 CG1 VAL A 44 -4.679 -8.919 -6.882 1.00 0.00 C ATOM 622 CG2 VAL A 44 -2.919 -8.748 -8.643 1.00 0.00 C ATOM 0 H VAL A 44 -6.418 -6.962 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.855 -7.907 -10.157 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.063 -7.099 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.911 -8.859 -6.111 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.607 -8.489 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.845 -9.963 -7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.155 -8.694 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.086 -9.790 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.587 -8.191 -9.519 1.00 0.00 H new ATOM 632 N VAL A 45 -6.805 -10.012 -8.563 1.00 0.00 N ATOM 633 CA VAL A 45 -7.375 -11.359 -8.591 1.00 0.00 C ATOM 634 C VAL A 45 -8.031 -11.680 -9.933 1.00 0.00 C ATOM 635 O VAL A 45 -7.891 -12.791 -10.445 1.00 0.00 O ATOM 636 CB VAL A 45 -8.413 -11.497 -7.478 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.164 -12.820 -7.642 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.706 -11.476 -6.122 1.00 0.00 C ATOM 0 H VAL A 45 -7.248 -9.383 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.557 -12.064 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.121 -10.670 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.904 -12.919 -6.848 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.665 -12.836 -8.610 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.458 -13.649 -7.585 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.444 -11.574 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.000 -12.305 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.170 -10.534 -6.006 1.00 0.00 H new ATOM 648 N GLU A 46 -8.768 -10.721 -10.493 1.00 0.00 N ATOM 649 CA GLU A 46 -9.448 -10.962 -11.764 1.00 0.00 C ATOM 650 C GLU A 46 -8.438 -11.274 -12.860 1.00 0.00 C ATOM 651 O GLU A 46 -8.652 -12.177 -13.670 1.00 0.00 O ATOM 652 CB GLU A 46 -10.274 -9.739 -12.165 1.00 0.00 C ATOM 653 CG GLU A 46 -9.351 -8.665 -12.743 1.00 0.00 C ATOM 654 CD GLU A 46 -10.090 -7.333 -12.831 1.00 0.00 C ATOM 655 OE1 GLU A 46 -10.387 -6.772 -11.790 1.00 0.00 O ATOM 656 OE2 GLU A 46 -10.347 -6.894 -13.940 1.00 0.00 O ATOM 0 H GLU A 46 -8.908 -9.791 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.111 -11.818 -11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.027 -10.021 -12.901 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.807 -9.347 -11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.466 -8.558 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.006 -8.965 -13.733 1.00 0.00 H new ATOM 663 N GLU A 47 -7.342 -10.525 -12.890 1.00 0.00 N ATOM 664 CA GLU A 47 -6.320 -10.744 -13.906 1.00 0.00 C ATOM 665 C GLU A 47 -5.782 -12.165 -13.813 1.00 0.00 C ATOM 666 O GLU A 47 -5.637 -12.850 -14.824 1.00 0.00 O ATOM 667 CB GLU A 47 -5.175 -9.746 -13.717 1.00 0.00 C ATOM 668 CG GLU A 47 -4.108 -9.985 -14.785 1.00 0.00 C ATOM 669 CD GLU A 47 -4.691 -9.725 -16.169 1.00 0.00 C ATOM 670 OE1 GLU A 47 -5.706 -9.051 -16.245 1.00 0.00 O ATOM 671 OE2 GLU A 47 -4.115 -10.204 -17.132 1.00 0.00 O ATOM 0 H GLU A 47 -7.140 -9.771 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.767 -10.598 -14.889 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.553 -8.726 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.741 -9.858 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.254 -9.330 -14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.741 -11.010 -14.722 1.00 0.00 H new ATOM 678 N MET A 48 -5.504 -12.609 -12.591 1.00 0.00 N ATOM 679 CA MET A 48 -5.005 -13.962 -12.388 1.00 0.00 C ATOM 680 C MET A 48 -6.070 -14.967 -12.813 1.00 0.00 C ATOM 681 O MET A 48 -5.772 -15.985 -13.440 1.00 0.00 O ATOM 682 CB MET A 48 -4.658 -14.177 -10.914 1.00 0.00 C ATOM 683 CG MET A 48 -3.446 -13.324 -10.539 1.00 0.00 C ATOM 684 SD MET A 48 -2.011 -13.847 -11.510 1.00 0.00 S ATOM 685 CE MET A 48 -0.847 -12.620 -10.864 1.00 0.00 C ATOM 0 H MET A 48 -5.614 -12.060 -11.739 1.00 0.00 H new ATOM 0 HA MET A 48 -4.107 -14.105 -12.990 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.510 -13.911 -10.288 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.444 -15.230 -10.731 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.659 -12.271 -10.724 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.234 -13.424 -9.475 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.244 -12.225 -11.682 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.400 -11.806 -10.394 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.195 -13.089 -10.127 1.00 0.00 H new ATOM 695 N ASN A 49 -7.317 -14.657 -12.472 1.00 0.00 N ATOM 696 CA ASN A 49 -8.440 -15.515 -12.822 1.00 0.00 C ATOM 697 C ASN A 49 -8.619 -15.574 -14.334 1.00 0.00 C ATOM 698 O ASN A 49 -8.925 -16.627 -14.897 1.00 0.00 O ATOM 699 CB ASN A 49 -9.722 -14.985 -12.177 1.00 0.00 C ATOM 700 CG ASN A 49 -9.679 -15.216 -10.673 1.00 0.00 C ATOM 701 OD1 ASN A 49 -8.911 -16.052 -10.197 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.460 -14.523 -9.891 1.00 0.00 N ATOM 0 H ASN A 49 -7.574 -13.817 -11.953 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.234 -16.519 -12.452 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.832 -13.921 -12.387 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.590 -15.486 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.435 -14.673 -8.882 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.095 -13.831 -10.288 1.00 0.00 H new ATOM 709 N ALA A 50 -8.433 -14.430 -14.985 1.00 0.00 N ATOM 710 CA ALA A 50 -8.580 -14.358 -16.434 1.00 0.00 C ATOM 711 C ALA A 50 -7.573 -15.274 -17.116 1.00 0.00 C ATOM 712 O ALA A 50 -7.904 -15.973 -18.074 1.00 0.00 O ATOM 713 CB ALA A 50 -8.368 -12.921 -16.908 1.00 0.00 C ATOM 0 H ALA A 50 -8.183 -13.548 -14.537 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.587 -14.682 -16.697 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.479 -12.875 -17.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.107 -12.271 -16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.367 -12.591 -16.632 1.00 0.00 H new ATOM 719 N LYS A 51 -6.340 -15.262 -16.620 1.00 0.00 N ATOM 720 CA LYS A 51 -5.296 -16.095 -17.200 1.00 0.00 C ATOM 721 C LYS A 51 -5.656 -17.573 -17.073 1.00 0.00 C ATOM 722 O LYS A 51 -5.453 -18.346 -18.006 1.00 0.00 O ATOM 723 CB LYS A 51 -3.963 -15.825 -16.500 1.00 0.00 C ATOM 724 CG LYS A 51 -3.457 -14.433 -16.890 1.00 0.00 C ATOM 725 CD LYS A 51 -2.058 -14.214 -16.311 1.00 0.00 C ATOM 726 CE LYS A 51 -2.149 -14.082 -14.790 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.793 -13.810 -14.233 1.00 0.00 N ATOM 0 H LYS A 51 -6.043 -14.692 -15.828 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.204 -15.848 -18.258 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.088 -15.889 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.231 -16.582 -16.782 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.432 -14.335 -17.975 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.139 -13.669 -16.517 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.409 -15.049 -16.576 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.613 -13.316 -16.738 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.832 -13.275 -14.524 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.554 -14.997 -14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.797 -13.987 -13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.098 -14.435 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.537 -12.818 -14.412 1.00 0.00 H new ATOM 741 N ALA A 52 -6.197 -17.959 -15.920 1.00 0.00 N ATOM 742 CA ALA A 52 -6.586 -19.346 -15.688 1.00 0.00 C ATOM 743 C ALA A 52 -7.658 -19.787 -16.679 1.00 0.00 C ATOM 744 O ALA A 52 -7.658 -20.927 -17.143 1.00 0.00 O ATOM 745 CB ALA A 52 -7.116 -19.507 -14.261 1.00 0.00 C ATOM 0 H ALA A 52 -6.375 -17.333 -15.135 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.705 -19.972 -15.827 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.405 -20.545 -14.095 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.338 -19.229 -13.550 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.984 -18.862 -14.120 1.00 0.00 H new ATOM 751 N ALA A 53 -8.567 -18.874 -16.998 1.00 0.00 N ATOM 752 CA ALA A 53 -9.646 -19.167 -17.936 1.00 0.00 C ATOM 753 C ALA A 53 -9.086 -19.529 -19.309 1.00 0.00 C ATOM 754 O ALA A 53 -9.620 -20.397 -19.999 1.00 0.00 O ATOM 755 CB ALA A 53 -10.570 -17.955 -18.065 1.00 0.00 C ATOM 0 H ALA A 53 -8.580 -17.926 -16.622 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.210 -20.017 -17.552 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.372 -18.182 -18.767 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.997 -17.717 -17.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.000 -17.100 -18.430 1.00 0.00 H new ATOM 761 N GLN A 54 -8.011 -18.854 -19.699 1.00 0.00 N ATOM 762 CA GLN A 54 -7.386 -19.108 -20.993 1.00 0.00 C ATOM 763 C GLN A 54 -6.458 -20.318 -20.922 1.00 0.00 C ATOM 764 O GLN A 54 -6.010 -20.830 -21.948 1.00 0.00 O ATOM 765 CB GLN A 54 -6.592 -17.876 -21.434 1.00 0.00 C ATOM 766 CG GLN A 54 -7.542 -16.689 -21.598 1.00 0.00 C ATOM 767 CD GLN A 54 -6.755 -15.440 -21.976 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.451 -15.466 -21.940 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -7.343 -14.411 -22.308 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.556 -18.131 -19.142 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.172 -19.318 -21.719 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.824 -17.642 -20.697 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.079 -18.078 -22.375 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.283 -16.909 -22.367 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.087 -16.518 -20.670 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.362 -14.392 -22.336 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.811 -13.577 -22.556 1.00 0.00 H new ATOM 778 N LEU A 55 -6.168 -20.768 -19.704 1.00 0.00 N ATOM 779 CA LEU A 55 -5.284 -21.916 -19.511 1.00 0.00 C ATOM 780 C LEU A 55 -5.990 -23.230 -19.829 1.00 0.00 C ATOM 781 O LEU A 55 -7.155 -23.427 -19.485 1.00 0.00 O ATOM 782 CB LEU A 55 -4.777 -21.952 -18.068 1.00 0.00 C ATOM 783 CG LEU A 55 -3.773 -20.822 -17.848 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.460 -20.698 -16.356 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.485 -21.133 -18.613 1.00 0.00 C ATOM 0 H LEU A 55 -6.528 -20.360 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.445 -21.802 -20.198 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.613 -21.849 -17.376 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.308 -22.914 -17.861 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.196 -19.884 -18.209 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.744 -19.891 -16.200 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.377 -20.479 -15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.036 -21.635 -15.994 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.766 -20.328 -18.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.064 -22.071 -18.250 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.706 -21.222 -19.677 1.00 0.00 H new ATOM 797 N LYS A 56 -5.257 -24.132 -20.477 1.00 0.00 N ATOM 798 CA LYS A 56 -5.793 -25.441 -20.833 1.00 0.00 C ATOM 799 C LYS A 56 -5.698 -26.387 -19.640 1.00 0.00 C ATOM 800 O LYS A 56 -4.997 -26.104 -18.670 1.00 0.00 O ATOM 801 CB LYS A 56 -5.012 -26.022 -22.014 1.00 0.00 C ATOM 802 CG LYS A 56 -5.491 -25.375 -23.313 1.00 0.00 C ATOM 803 CD LYS A 56 -6.897 -25.881 -23.649 1.00 0.00 C ATOM 804 CE LYS A 56 -6.822 -27.354 -24.058 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.172 -27.826 -24.475 1.00 0.00 N ATOM 0 H LYS A 56 -4.291 -23.980 -20.766 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.839 -25.327 -21.116 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.945 -25.845 -21.880 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.153 -27.102 -22.060 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.499 -24.290 -23.210 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.804 -25.613 -24.125 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.553 -25.764 -22.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.325 -25.289 -24.458 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.113 -27.479 -24.876 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.457 -27.955 -23.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.119 -28.827 -24.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.837 -27.721 -23.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.504 -27.260 -25.282 1.00 0.00 H new ATOM 819 N ASP A 57 -6.398 -27.513 -19.719 1.00 0.00 N ATOM 820 CA ASP A 57 -6.372 -28.491 -18.639 1.00 0.00 C ATOM 821 C ASP A 57 -4.978 -29.093 -18.502 1.00 0.00 C ATOM 822 O ASP A 57 -4.353 -29.463 -19.497 1.00 0.00 O ATOM 823 CB ASP A 57 -7.388 -29.601 -18.914 1.00 0.00 C ATOM 824 CG ASP A 57 -7.436 -30.562 -17.734 1.00 0.00 C ATOM 825 OD1 ASP A 57 -6.599 -30.435 -16.855 1.00 0.00 O ATOM 826 OD2 ASP A 57 -8.311 -31.414 -17.724 1.00 0.00 O ATOM 0 H ASP A 57 -6.985 -27.770 -20.512 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.632 -27.988 -17.708 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.375 -29.169 -19.083 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.115 -30.139 -19.822 1.00 0.00 H new ATOM 831 N GLY A 58 -4.488 -29.181 -17.269 1.00 0.00 N ATOM 832 CA GLY A 58 -3.159 -29.733 -17.030 1.00 0.00 C ATOM 833 C GLY A 58 -2.126 -28.621 -16.878 1.00 0.00 C ATOM 834 O GLY A 58 -0.922 -28.871 -16.912 1.00 0.00 O ATOM 0 H GLY A 58 -4.984 -28.881 -16.430 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.173 -30.347 -16.130 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.878 -30.385 -17.857 1.00 0.00 H new ATOM 838 N GLU A 59 -2.607 -27.393 -16.707 1.00 0.00 N ATOM 839 CA GLU A 59 -1.717 -26.248 -16.543 1.00 0.00 C ATOM 840 C GLU A 59 -2.003 -25.535 -15.225 1.00 0.00 C ATOM 841 O GLU A 59 -3.140 -25.514 -14.754 1.00 0.00 O ATOM 842 CB GLU A 59 -1.895 -25.272 -17.707 1.00 0.00 C ATOM 843 CG GLU A 59 -1.366 -25.910 -18.991 1.00 0.00 C ATOM 844 CD GLU A 59 -1.644 -24.998 -20.180 1.00 0.00 C ATOM 845 OE1 GLU A 59 -2.373 -24.035 -20.004 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.124 -25.272 -21.249 1.00 0.00 O ATOM 0 H GLU A 59 -3.601 -27.166 -16.678 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.689 -26.609 -16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.948 -25.015 -17.823 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.361 -24.344 -17.503 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.295 -26.090 -18.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.840 -26.879 -19.147 1.00 0.00 H new ATOM 853 N TRP A 60 -0.967 -24.940 -14.636 1.00 0.00 N ATOM 854 CA TRP A 60 -1.126 -24.220 -13.380 1.00 0.00 C ATOM 855 C TRP A 60 -0.516 -22.828 -13.472 1.00 0.00 C ATOM 856 O TRP A 60 0.512 -22.625 -14.116 1.00 0.00 O ATOM 857 CB TRP A 60 -0.475 -24.982 -12.221 1.00 0.00 C ATOM 858 CG TRP A 60 -1.263 -26.216 -11.909 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.852 -27.481 -12.145 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.588 -26.319 -11.312 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.839 -28.357 -11.728 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.929 -27.688 -11.209 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.516 -25.369 -10.852 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -4.147 -28.100 -10.671 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.745 -25.780 -10.309 1.00 0.00 C ATOM 866 CH2 TRP A 60 -5.060 -27.143 -10.219 1.00 0.00 C ATOM 0 H TRP A 60 -0.017 -24.943 -15.007 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.196 -24.131 -13.190 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.549 -25.251 -12.482 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.422 -24.343 -11.340 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.092 -27.763 -12.587 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.769 -29.372 -11.796 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.283 -24.316 -10.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.384 -29.152 -10.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.451 -25.042 -9.959 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -6.006 -27.453 -9.801 1.00 0.00 H new ATOM 877 N LEU A 61 -1.155 -21.883 -12.802 1.00 0.00 N ATOM 878 CA LEU A 61 -0.679 -20.508 -12.780 1.00 0.00 C ATOM 879 C LEU A 61 -0.023 -20.244 -11.430 1.00 0.00 C ATOM 880 O LEU A 61 -0.465 -20.777 -10.414 1.00 0.00 O ATOM 881 CB LEU A 61 -1.846 -19.544 -12.995 1.00 0.00 C ATOM 882 CG LEU A 61 -1.317 -18.115 -13.045 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.331 -17.987 -14.208 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.484 -17.146 -13.255 1.00 0.00 C ATOM 0 H LEU A 61 -2.007 -22.043 -12.265 1.00 0.00 H new ATOM 0 HA LEU A 61 0.045 -20.353 -13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.365 -19.784 -13.923 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.571 -19.647 -12.188 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.814 -17.876 -12.108 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.052 -16.967 -14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.498 -18.680 -14.060 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.839 -18.223 -15.143 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.106 -16.124 -13.291 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.987 -17.380 -14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.190 -17.243 -12.431 1.00 0.00 H new ATOM 896 N ASN A 62 1.028 -19.433 -11.407 1.00 0.00 N ATOM 897 CA ASN A 62 1.709 -19.142 -10.151 1.00 0.00 C ATOM 898 C ASN A 62 1.282 -17.785 -9.605 1.00 0.00 C ATOM 899 O ASN A 62 1.442 -16.760 -10.268 1.00 0.00 O ATOM 900 CB ASN A 62 3.224 -19.156 -10.360 1.00 0.00 C ATOM 901 CG ASN A 62 3.934 -18.837 -9.049 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.343 -17.697 -8.825 1.00 0.00 O ATOM 903 ND2 ASN A 62 4.101 -19.779 -8.161 1.00 0.00 N ATOM 0 H ASN A 62 1.422 -18.972 -12.227 1.00 0.00 H new ATOM 0 HA ASN A 62 1.434 -19.911 -9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.540 -20.133 -10.726 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.501 -18.426 -11.120 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.571 -19.572 -7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.762 -20.722 -8.348 1.00 0.00 H new ATOM 910 N VAL A 63 0.742 -17.782 -8.390 1.00 0.00 N ATOM 911 CA VAL A 63 0.301 -16.543 -7.761 1.00 0.00 C ATOM 912 C VAL A 63 1.104 -16.284 -6.492 1.00 0.00 C ATOM 913 O VAL A 63 1.196 -17.148 -5.620 1.00 0.00 O ATOM 914 CB VAL A 63 -1.188 -16.632 -7.419 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.631 -15.341 -6.731 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.996 -16.829 -8.704 1.00 0.00 C ATOM 0 H VAL A 63 0.600 -18.619 -7.825 1.00 0.00 H new ATOM 0 HA VAL A 63 0.461 -15.720 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.357 -17.476 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.692 -15.404 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.056 -15.201 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.462 -14.496 -7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.057 -16.892 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.827 -15.985 -9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.681 -17.750 -9.195 1.00 0.00 H new ATOM 926 N SER A 64 1.692 -15.095 -6.395 1.00 0.00 N ATOM 927 CA SER A 64 2.495 -14.740 -5.230 1.00 0.00 C ATOM 928 C SER A 64 2.490 -13.228 -5.022 1.00 0.00 C ATOM 929 O SER A 64 1.896 -12.488 -5.803 1.00 0.00 O ATOM 930 CB SER A 64 3.932 -15.228 -5.417 1.00 0.00 C ATOM 931 OG SER A 64 4.659 -15.022 -4.211 1.00 0.00 O ATOM 0 H SER A 64 1.628 -14.365 -7.105 1.00 0.00 H new ATOM 0 HA SER A 64 2.063 -15.219 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.938 -16.285 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.407 -14.691 -6.238 1.00 0.00 H new ATOM 0 HG SER A 64 5.580 -15.335 -4.327 1.00 0.00 H new ATOM 937 N HIS A 65 3.157 -12.779 -3.963 1.00 0.00 N ATOM 938 CA HIS A 65 3.220 -11.352 -3.663 1.00 0.00 C ATOM 939 C HIS A 65 4.633 -10.967 -3.244 1.00 0.00 C ATOM 940 O HIS A 65 5.431 -11.826 -2.869 1.00 0.00 O ATOM 941 CB HIS A 65 2.247 -11.007 -2.533 1.00 0.00 C ATOM 942 CG HIS A 65 2.767 -11.565 -1.237 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.657 -12.907 -0.907 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.409 -10.972 -0.176 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.216 -13.074 0.305 1.00 0.00 C ATOM 946 NE2 HIS A 65 3.690 -11.926 0.795 1.00 0.00 N ATOM 0 H HIS A 65 3.657 -13.376 -3.304 1.00 0.00 H new ATOM 0 HA HIS A 65 2.944 -10.797 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.131 -9.926 -2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.261 -11.419 -2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.658 -9.923 -0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.274 -14.022 0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.158 -11.780 1.690 1.00 0.00 H new ATOM 954 N GLU A 66 4.942 -9.675 -3.309 1.00 0.00 N ATOM 955 CA GLU A 66 6.265 -9.195 -2.933 1.00 0.00 C ATOM 956 C GLU A 66 6.145 -7.899 -2.140 1.00 0.00 C ATOM 957 O GLU A 66 5.352 -7.023 -2.485 1.00 0.00 O ATOM 958 CB GLU A 66 7.109 -8.954 -4.186 1.00 0.00 C ATOM 959 CG GLU A 66 8.505 -8.481 -3.777 1.00 0.00 C ATOM 960 CD GLU A 66 9.373 -8.286 -5.015 1.00 0.00 C ATOM 961 OE1 GLU A 66 8.875 -8.515 -6.104 1.00 0.00 O ATOM 962 OE2 GLU A 66 10.524 -7.912 -4.855 1.00 0.00 O ATOM 0 H GLU A 66 4.298 -8.947 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 66 6.749 -9.950 -2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.181 -9.871 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.632 -8.207 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.433 -7.545 -3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.965 -9.212 -3.112 1.00 0.00 H new ATOM 969 N ALA A 67 6.935 -7.776 -1.079 1.00 0.00 N ATOM 970 CA ALA A 67 6.899 -6.576 -0.252 1.00 0.00 C ATOM 971 C ALA A 67 5.459 -6.139 -0.004 1.00 0.00 C ATOM 972 O ALA A 67 5.265 -4.994 0.367 1.00 0.00 O ATOM 973 CB ALA A 67 7.667 -5.445 -0.940 1.00 0.00 C ATOM 0 H ALA A 67 7.602 -8.485 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 67 7.367 -6.803 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.636 -4.552 -0.316 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.704 -5.747 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.210 -5.229 -1.906 1.00 0.00 H new TER 979 ALA A 67