USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 626 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 Single : A 1 THR N :NH3+ -136:sc=-0.00693 (180deg=-0.848) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 150:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.72 X(o=-1.7,f=-2) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 11 THR OG1 : rot -162:sc= 0.786 USER MOD Single : A 12 ASN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.7) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0195 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -88:sc= -5.23! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 69:sc= 0.236 USER MOD Single : A 47 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 51 LYS NZ :NH3+ 144:sc= -0.187 (180deg=-1.63!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -3.84! C(o=-3.8!,f=-9.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -132:sc= -8.58! (180deg=-14.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 68 SER OG : rot 63:sc= 0.193 USER MOD Single : A 69 ASN : amide:sc= -0.966 K(o=-0.97,f=0.17) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= -0.895 (180deg=-1.51) USER MOD Single : A 76 THR OG1 : rot -62:sc= 0.956 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -76:sc= 0.627 USER MOD Single : A 90 SER OG : rot -76:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -18.973 -14.800 -5.834 1.00 0.00 N ATOM 2 CA THR A 1 -17.945 -15.666 -6.480 1.00 0.00 C ATOM 3 C THR A 1 -16.663 -14.869 -6.732 1.00 0.00 C ATOM 4 O THR A 1 -16.152 -14.830 -7.833 1.00 0.00 O ATOM 5 CB THR A 1 -18.572 -16.106 -7.803 1.00 0.00 C ATOM 6 OG1 THR A 1 -19.000 -14.960 -8.525 1.00 0.00 O ATOM 7 CG2 THR A 1 -19.772 -17.014 -7.527 1.00 0.00 C ATOM 0 H1 THR A 1 -19.429 -15.322 -5.059 1.00 0.00 H new ATOM 0 H2 THR A 1 -18.518 -13.945 -5.455 1.00 0.00 H new ATOM 0 H3 THR A 1 -19.689 -14.528 -6.537 1.00 0.00 H new ATOM 0 HA THR A 1 -17.671 -16.517 -5.856 1.00 0.00 H new ATOM 0 HB THR A 1 -17.834 -16.653 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 1 -19.401 -15.239 -9.375 1.00 0.00 H new ATOM 0 HG21 THR A 1 -20.217 -17.326 -8.472 1.00 0.00 H new ATOM 0 HG22 THR A 1 -19.443 -17.893 -6.973 1.00 0.00 H new ATOM 0 HG23 THR A 1 -20.512 -16.471 -6.939 1.00 0.00 H new ATOM 17 N MET A 2 -16.141 -14.232 -5.719 1.00 0.00 N ATOM 18 CA MET A 2 -14.892 -13.438 -5.903 1.00 0.00 C ATOM 19 C MET A 2 -15.119 -12.328 -6.934 1.00 0.00 C ATOM 20 O MET A 2 -15.774 -12.526 -7.939 1.00 0.00 O ATOM 21 CB MET A 2 -13.857 -14.441 -6.413 1.00 0.00 C ATOM 22 CG MET A 2 -12.575 -14.318 -5.588 1.00 0.00 C ATOM 23 SD MET A 2 -11.437 -15.650 -6.038 1.00 0.00 S ATOM 24 CE MET A 2 -9.982 -15.009 -5.173 1.00 0.00 C ATOM 0 H MET A 2 -16.524 -14.227 -4.774 1.00 0.00 H new ATOM 0 HA MET A 2 -14.570 -12.954 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 2 -14.252 -15.455 -6.342 1.00 0.00 H new ATOM 0 HB3 MET A 2 -13.644 -14.255 -7.466 1.00 0.00 H new ATOM 0 HG2 MET A 2 -12.107 -13.350 -5.766 1.00 0.00 H new ATOM 0 HG3 MET A 2 -12.808 -14.368 -4.524 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.143 -15.689 -5.319 1.00 0.00 H new ATOM 0 HE2 MET A 2 -9.726 -14.027 -5.570 1.00 0.00 H new ATOM 0 HE3 MET A 2 -10.199 -14.925 -4.108 1.00 0.00 H new ATOM 34 N SER A 3 -14.583 -11.163 -6.695 1.00 0.00 N ATOM 35 CA SER A 3 -14.771 -10.044 -7.662 1.00 0.00 C ATOM 36 C SER A 3 -13.447 -9.304 -7.880 1.00 0.00 C ATOM 37 O SER A 3 -13.143 -8.867 -8.973 1.00 0.00 O ATOM 38 CB SER A 3 -15.798 -9.121 -7.007 1.00 0.00 C ATOM 39 OG SER A 3 -15.728 -9.268 -5.595 1.00 0.00 O ATOM 0 H SER A 3 -14.023 -10.937 -5.873 1.00 0.00 H new ATOM 0 HA SER A 3 -15.103 -10.395 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.604 -8.085 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.800 -9.364 -7.360 1.00 0.00 H new ATOM 0 HG SER A 3 -16.384 -8.676 -5.172 1.00 0.00 H new ATOM 45 N SER A 4 -12.658 -9.161 -6.850 1.00 0.00 N ATOM 46 CA SER A 4 -11.357 -8.449 -7.001 1.00 0.00 C ATOM 47 C SER A 4 -10.222 -9.284 -6.399 1.00 0.00 C ATOM 48 O SER A 4 -10.447 -10.329 -5.823 1.00 0.00 O ATOM 49 CB SER A 4 -11.529 -7.142 -6.231 1.00 0.00 C ATOM 50 OG SER A 4 -11.045 -6.063 -7.022 1.00 0.00 O ATOM 0 H SER A 4 -12.858 -9.506 -5.911 1.00 0.00 H new ATOM 0 HA SER A 4 -11.101 -8.275 -8.046 1.00 0.00 H new ATOM 0 HB2 SER A 4 -12.580 -6.986 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.986 -7.188 -5.287 1.00 0.00 H new ATOM 0 HG SER A 4 -11.546 -5.249 -6.806 1.00 0.00 H new ATOM 56 N GLU A 5 -9.007 -8.828 -6.528 1.00 0.00 N ATOM 57 CA GLU A 5 -7.859 -9.595 -5.963 1.00 0.00 C ATOM 58 C GLU A 5 -7.933 -9.607 -4.433 1.00 0.00 C ATOM 59 O GLU A 5 -7.630 -10.596 -3.797 1.00 0.00 O ATOM 60 CB GLU A 5 -6.612 -8.846 -6.434 1.00 0.00 C ATOM 61 CG GLU A 5 -6.524 -7.497 -5.719 1.00 0.00 C ATOM 62 CD GLU A 5 -5.385 -6.673 -6.321 1.00 0.00 C ATOM 63 OE1 GLU A 5 -5.438 -6.403 -7.509 1.00 0.00 O ATOM 64 OE2 GLU A 5 -4.476 -6.328 -5.582 1.00 0.00 O ATOM 0 H GLU A 5 -8.758 -7.958 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.857 -10.635 -6.289 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.720 -9.438 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.652 -8.695 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.467 -6.959 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.353 -7.649 -4.653 1.00 0.00 H new ATOM 71 N HIS A 6 -8.336 -8.516 -3.841 1.00 0.00 N ATOM 72 CA HIS A 6 -8.428 -8.466 -2.353 1.00 0.00 C ATOM 73 C HIS A 6 -9.239 -7.244 -1.915 1.00 0.00 C ATOM 74 O HIS A 6 -8.789 -6.443 -1.119 1.00 0.00 O ATOM 75 CB HIS A 6 -6.981 -8.353 -1.869 1.00 0.00 C ATOM 76 CG HIS A 6 -6.478 -9.714 -1.475 1.00 0.00 C ATOM 77 ND1 HIS A 6 -7.258 -10.615 -0.765 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.275 -10.343 -1.683 1.00 0.00 C ATOM 79 CE1 HIS A 6 -6.522 -11.725 -0.574 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.305 -11.612 -1.114 1.00 0.00 N ATOM 0 H HIS A 6 -8.605 -7.658 -4.322 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.927 -9.343 -1.940 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.354 -7.936 -2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.922 -7.672 -1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.433 -9.917 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.872 -12.601 -0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.558 -12.307 -1.110 1.00 0.00 H new ATOM 88 N THR A 7 -10.428 -7.093 -2.429 1.00 0.00 N ATOM 89 CA THR A 7 -11.266 -5.923 -2.043 1.00 0.00 C ATOM 90 C THR A 7 -11.574 -5.966 -0.545 1.00 0.00 C ATOM 91 O THR A 7 -11.913 -6.997 0.001 1.00 0.00 O ATOM 92 CB THR A 7 -12.552 -6.066 -2.860 1.00 0.00 C ATOM 93 OG1 THR A 7 -12.582 -7.346 -3.477 1.00 0.00 O ATOM 94 CG2 THR A 7 -12.601 -4.978 -3.932 1.00 0.00 C ATOM 0 H THR A 7 -10.856 -7.730 -3.101 1.00 0.00 H new ATOM 0 HA THR A 7 -10.765 -4.975 -2.238 1.00 0.00 H new ATOM 0 HB THR A 7 -13.414 -5.962 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.406 -7.438 -3.999 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.517 -5.081 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.581 -3.997 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.739 -5.079 -4.592 1.00 0.00 H new ATOM 102 N CYS A 8 -11.457 -4.852 0.125 1.00 0.00 N ATOM 103 CA CYS A 8 -11.742 -4.827 1.592 1.00 0.00 C ATOM 104 C CYS A 8 -13.226 -5.084 1.858 1.00 0.00 C ATOM 105 O CYS A 8 -13.885 -4.313 2.526 1.00 0.00 O ATOM 106 CB CYS A 8 -11.355 -3.421 2.057 1.00 0.00 C ATOM 107 SG CYS A 8 -12.042 -2.188 0.921 1.00 0.00 S ATOM 0 H CYS A 8 -11.177 -3.958 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.187 -5.600 2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.728 -3.246 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.270 -3.327 2.097 1.00 0.00 H new ATOM 112 N ILE A 9 -13.757 -6.161 1.341 1.00 0.00 N ATOM 113 CA ILE A 9 -15.201 -6.463 1.566 1.00 0.00 C ATOM 114 C ILE A 9 -16.017 -5.172 1.525 1.00 0.00 C ATOM 115 O ILE A 9 -17.062 -5.064 2.135 1.00 0.00 O ATOM 116 CB ILE A 9 -15.263 -7.094 2.957 1.00 0.00 C ATOM 117 CG1 ILE A 9 -14.163 -8.148 3.088 1.00 0.00 C ATOM 118 CG2 ILE A 9 -16.627 -7.754 3.158 1.00 0.00 C ATOM 119 CD1 ILE A 9 -14.308 -9.178 1.965 1.00 0.00 C ATOM 0 H ILE A 9 -13.254 -6.843 0.774 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.611 -7.124 0.803 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.119 -6.322 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.183 -7.674 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.230 -8.640 4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.671 -8.204 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -17.412 -7.003 3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.772 -8.526 2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.524 -9.930 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.283 -9.660 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.220 -8.679 1.000 1.00 0.00 H new ATOM 131 N ASP A 10 -15.544 -4.185 0.812 1.00 0.00 N ATOM 132 CA ASP A 10 -16.287 -2.894 0.734 1.00 0.00 C ATOM 133 C ASP A 10 -16.211 -2.166 2.080 1.00 0.00 C ATOM 134 O ASP A 10 -17.193 -1.652 2.575 1.00 0.00 O ATOM 135 CB ASP A 10 -17.731 -3.282 0.414 1.00 0.00 C ATOM 136 CG ASP A 10 -18.278 -2.355 -0.674 1.00 0.00 C ATOM 137 OD1 ASP A 10 -18.015 -1.166 -0.600 1.00 0.00 O ATOM 138 OD2 ASP A 10 -18.950 -2.851 -1.563 1.00 0.00 O ATOM 0 H ASP A 10 -14.674 -4.217 0.280 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.873 -2.222 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.775 -4.319 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.346 -3.210 1.311 1.00 0.00 H new ATOM 143 N THR A 11 -15.049 -2.122 2.673 1.00 0.00 N ATOM 144 CA THR A 11 -14.907 -1.428 3.985 1.00 0.00 C ATOM 145 C THR A 11 -14.986 0.086 3.790 1.00 0.00 C ATOM 146 O THR A 11 -15.325 0.567 2.726 1.00 0.00 O ATOM 147 CB THR A 11 -13.522 -1.831 4.500 1.00 0.00 C ATOM 148 OG1 THR A 11 -13.464 -1.626 5.906 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.450 -0.981 3.811 1.00 0.00 C ATOM 0 H THR A 11 -14.192 -2.536 2.306 1.00 0.00 H new ATOM 0 HA THR A 11 -15.697 -1.701 4.685 1.00 0.00 H new ATOM 0 HB THR A 11 -13.343 -2.883 4.278 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.528 -1.602 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.465 -1.269 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.496 -1.141 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.625 0.072 4.030 1.00 0.00 H new ATOM 157 N ASN A 12 -14.664 0.844 4.801 1.00 0.00 N ATOM 158 CA ASN A 12 -14.712 2.324 4.658 1.00 0.00 C ATOM 159 C ASN A 12 -13.515 2.788 3.830 1.00 0.00 C ATOM 160 O ASN A 12 -12.383 2.724 4.265 1.00 0.00 O ATOM 161 CB ASN A 12 -14.625 2.866 6.085 1.00 0.00 C ATOM 162 CG ASN A 12 -15.517 4.103 6.217 1.00 0.00 C ATOM 163 OD1 ASN A 12 -16.180 4.284 7.218 1.00 0.00 O ATOM 164 ND2 ASN A 12 -15.560 4.968 5.240 1.00 0.00 N ATOM 0 H ASN A 12 -14.371 0.503 5.717 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.614 2.672 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -14.938 2.101 6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.593 3.121 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.151 5.796 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.003 4.816 4.399 1.00 0.00 H new ATOM 171 N VAL A 13 -13.756 3.245 2.635 1.00 0.00 N ATOM 172 CA VAL A 13 -12.630 3.702 1.773 1.00 0.00 C ATOM 173 C VAL A 13 -13.003 4.997 1.048 1.00 0.00 C ATOM 174 O VAL A 13 -13.711 4.974 0.061 1.00 0.00 O ATOM 175 CB VAL A 13 -12.422 2.566 0.772 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.214 2.879 -0.113 1.00 0.00 C ATOM 177 CG2 VAL A 13 -12.173 1.260 1.531 1.00 0.00 C ATOM 0 H VAL A 13 -14.683 3.322 2.217 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.728 3.915 2.347 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.310 2.463 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.066 2.069 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.389 3.810 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.325 2.982 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.024 0.448 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.284 1.364 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.033 1.036 2.162 1.00 0.00 H new ATOM 187 N PRO A 14 -12.505 6.087 1.564 1.00 0.00 N ATOM 188 CA PRO A 14 -12.783 7.412 0.957 1.00 0.00 C ATOM 189 C PRO A 14 -12.298 7.440 -0.496 1.00 0.00 C ATOM 190 O PRO A 14 -11.216 6.985 -0.808 1.00 0.00 O ATOM 191 CB PRO A 14 -11.982 8.392 1.814 1.00 0.00 C ATOM 192 CG PRO A 14 -11.654 7.654 3.075 1.00 0.00 C ATOM 193 CD PRO A 14 -11.648 6.185 2.746 1.00 0.00 C ATOM 0 HA PRO A 14 -13.846 7.654 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.075 8.711 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.561 9.291 2.026 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.683 7.965 3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.389 7.871 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -10.640 5.826 2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.036 5.589 3.572 1.00 0.00 H new ATOM 201 N ASP A 15 -13.091 7.970 -1.387 1.00 0.00 N ATOM 202 CA ASP A 15 -12.676 8.023 -2.817 1.00 0.00 C ATOM 203 C ASP A 15 -11.206 8.439 -2.930 1.00 0.00 C ATOM 204 O ASP A 15 -10.633 8.987 -2.010 1.00 0.00 O ATOM 205 CB ASP A 15 -13.579 9.082 -3.452 1.00 0.00 C ATOM 206 CG ASP A 15 -14.954 8.475 -3.736 1.00 0.00 C ATOM 207 OD1 ASP A 15 -14.999 7.395 -4.302 1.00 0.00 O ATOM 208 OD2 ASP A 15 -15.941 9.102 -3.384 1.00 0.00 O ATOM 0 H ASP A 15 -14.008 8.368 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.771 7.055 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.678 9.938 -2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.133 9.448 -4.377 1.00 0.00 H new ATOM 213 N ASN A 16 -10.594 8.179 -4.054 1.00 0.00 N ATOM 214 CA ASN A 16 -9.162 8.558 -4.232 1.00 0.00 C ATOM 215 C ASN A 16 -8.275 7.763 -3.270 1.00 0.00 C ATOM 216 O ASN A 16 -7.246 8.234 -2.826 1.00 0.00 O ATOM 217 CB ASN A 16 -9.102 10.051 -3.903 1.00 0.00 C ATOM 218 CG ASN A 16 -10.283 10.768 -4.559 1.00 0.00 C ATOM 219 OD1 ASN A 16 -10.733 10.379 -5.619 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.806 11.808 -3.970 1.00 0.00 N ATOM 0 H ASN A 16 -11.024 7.720 -4.857 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.805 8.346 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.129 10.197 -2.823 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.163 10.475 -4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.593 12.295 -4.399 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.428 12.134 -3.080 1.00 0.00 H new ATOM 227 N ALA A 17 -8.662 6.560 -2.944 1.00 0.00 N ATOM 228 CA ALA A 17 -7.835 5.742 -2.011 1.00 0.00 C ATOM 229 C ALA A 17 -7.939 4.256 -2.368 1.00 0.00 C ATOM 230 O ALA A 17 -8.829 3.839 -3.081 1.00 0.00 O ATOM 231 CB ALA A 17 -8.426 6.000 -0.626 1.00 0.00 C ATOM 0 H ALA A 17 -9.512 6.109 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.779 6.006 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.870 5.431 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.360 7.063 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.471 5.690 -0.613 1.00 0.00 H new ATOM 237 N ALA A 18 -7.033 3.458 -1.874 1.00 0.00 N ATOM 238 CA ALA A 18 -7.078 1.998 -2.178 1.00 0.00 C ATOM 239 C ALA A 18 -7.094 1.195 -0.875 1.00 0.00 C ATOM 240 O ALA A 18 -6.330 1.453 0.033 1.00 0.00 O ATOM 241 CB ALA A 18 -5.796 1.720 -2.964 1.00 0.00 C ATOM 0 H ALA A 18 -6.263 3.753 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.969 1.716 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.752 0.663 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.789 2.321 -3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.931 1.978 -2.353 1.00 0.00 H new ATOM 247 N CYS A 19 -7.958 0.222 -0.777 1.00 0.00 N ATOM 248 CA CYS A 19 -8.018 -0.596 0.468 1.00 0.00 C ATOM 249 C CYS A 19 -7.563 -2.028 0.179 1.00 0.00 C ATOM 250 O CYS A 19 -7.817 -2.568 -0.879 1.00 0.00 O ATOM 251 CB CYS A 19 -9.487 -0.569 0.895 1.00 0.00 C ATOM 252 SG CYS A 19 -10.465 -1.622 -0.207 1.00 0.00 S ATOM 0 H CYS A 19 -8.624 -0.042 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.365 -0.208 1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.583 -0.916 1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.865 0.453 0.867 1.00 0.00 H new ATOM 257 N TYR A 20 -6.889 -2.644 1.109 1.00 0.00 N ATOM 258 CA TYR A 20 -6.414 -4.040 0.877 1.00 0.00 C ATOM 259 C TYR A 20 -6.892 -4.967 1.999 1.00 0.00 C ATOM 260 O TYR A 20 -6.925 -4.594 3.156 1.00 0.00 O ATOM 261 CB TYR A 20 -4.888 -3.944 0.878 1.00 0.00 C ATOM 262 CG TYR A 20 -4.296 -5.331 0.951 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.220 -5.997 2.181 1.00 0.00 C ATOM 264 CD2 TYR A 20 -3.824 -5.954 -0.210 1.00 0.00 C ATOM 265 CE1 TYR A 20 -3.672 -7.284 2.249 1.00 0.00 C ATOM 266 CE2 TYR A 20 -3.276 -7.240 -0.143 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.200 -7.905 1.087 1.00 0.00 C ATOM 268 OH TYR A 20 -2.660 -9.173 1.153 1.00 0.00 O ATOM 0 H TYR A 20 -6.646 -2.245 2.016 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.800 -4.452 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.544 -3.437 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.551 -3.348 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.584 -5.518 3.078 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.883 -5.442 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.614 -7.797 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.912 -7.719 -1.040 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.382 -9.457 0.257 1.00 0.00 H new ATOM 278 N ARG A 21 -7.256 -6.175 1.664 1.00 0.00 N ATOM 279 CA ARG A 21 -7.726 -7.134 2.706 1.00 0.00 C ATOM 280 C ARG A 21 -6.836 -8.380 2.708 1.00 0.00 C ATOM 281 O ARG A 21 -6.289 -8.766 1.695 1.00 0.00 O ATOM 282 CB ARG A 21 -9.156 -7.494 2.302 1.00 0.00 C ATOM 283 CG ARG A 21 -9.561 -8.814 2.964 1.00 0.00 C ATOM 284 CD ARG A 21 -9.469 -9.950 1.941 1.00 0.00 C ATOM 285 NE ARG A 21 -10.234 -11.074 2.547 1.00 0.00 N ATOM 286 CZ ARG A 21 -10.641 -12.065 1.802 1.00 0.00 C ATOM 287 NH1 ARG A 21 -10.377 -12.073 0.523 1.00 0.00 N ATOM 288 NH2 ARG A 21 -11.310 -13.050 2.334 1.00 0.00 N ATOM 0 H ARG A 21 -7.248 -6.540 0.712 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.685 -6.710 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.840 -6.700 2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.227 -7.583 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.910 -9.022 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.577 -8.741 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.895 -9.654 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.433 -10.232 1.756 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.440 -11.070 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.852 -11.304 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.695 -12.848 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.515 -13.046 3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.628 -13.824 1.751 1.00 0.00 H new ATOM 302 N TYR A 22 -6.685 -9.009 3.840 1.00 0.00 N ATOM 303 CA TYR A 22 -5.828 -10.229 3.904 1.00 0.00 C ATOM 304 C TYR A 22 -6.689 -11.492 3.808 1.00 0.00 C ATOM 305 O TYR A 22 -7.890 -11.426 3.640 1.00 0.00 O ATOM 306 CB TYR A 22 -5.134 -10.153 5.263 1.00 0.00 C ATOM 307 CG TYR A 22 -3.783 -10.825 5.177 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.931 -10.550 4.099 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.384 -11.721 6.174 1.00 0.00 C ATOM 310 CE1 TYR A 22 -1.680 -11.174 4.021 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.133 -12.345 6.095 1.00 0.00 C ATOM 312 CZ TYR A 22 -1.280 -12.071 5.019 1.00 0.00 C ATOM 313 OH TYR A 22 -0.047 -12.685 4.941 1.00 0.00 O ATOM 0 H TYR A 22 -7.116 -8.733 4.722 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.113 -10.274 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.016 -9.112 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.746 -10.638 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.239 -9.858 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.041 -11.932 7.005 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.023 -10.963 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.826 -13.038 6.864 1.00 0.00 H new ATOM 0 HH TYR A 22 0.074 -13.276 5.714 1.00 0.00 H new ATOM 323 N LEU A 23 -6.079 -12.640 3.913 1.00 0.00 N ATOM 324 CA LEU A 23 -6.851 -13.914 3.825 1.00 0.00 C ATOM 325 C LEU A 23 -7.652 -14.149 5.109 1.00 0.00 C ATOM 326 O LEU A 23 -8.643 -14.852 5.112 1.00 0.00 O ATOM 327 CB LEU A 23 -5.796 -15.005 3.643 1.00 0.00 C ATOM 328 CG LEU A 23 -5.446 -15.132 2.161 1.00 0.00 C ATOM 329 CD1 LEU A 23 -4.264 -14.218 1.833 1.00 0.00 C ATOM 330 CD2 LEU A 23 -5.069 -16.582 1.848 1.00 0.00 C ATOM 0 H LEU A 23 -5.075 -12.752 4.057 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.571 -13.900 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.903 -14.762 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.171 -15.956 4.022 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.308 -14.841 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.016 -14.310 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.531 -13.185 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.402 -14.507 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.819 -16.673 0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.208 -16.872 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.911 -17.235 2.079 1.00 0.00 H new ATOM 342 N ASP A 24 -7.227 -13.576 6.203 1.00 0.00 N ATOM 343 CA ASP A 24 -7.964 -13.781 7.483 1.00 0.00 C ATOM 344 C ASP A 24 -9.245 -12.940 7.508 1.00 0.00 C ATOM 345 O ASP A 24 -9.938 -12.880 8.505 1.00 0.00 O ATOM 346 CB ASP A 24 -6.997 -13.317 8.573 1.00 0.00 C ATOM 347 CG ASP A 24 -6.483 -11.917 8.237 1.00 0.00 C ATOM 348 OD1 ASP A 24 -7.146 -11.231 7.477 1.00 0.00 O ATOM 349 OD2 ASP A 24 -5.434 -11.553 8.745 1.00 0.00 O ATOM 0 H ASP A 24 -6.404 -12.977 6.266 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.269 -14.819 7.619 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.499 -13.309 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.162 -14.013 8.653 1.00 0.00 H new ATOM 354 N GLY A 25 -9.568 -12.294 6.421 1.00 0.00 N ATOM 355 CA GLY A 25 -10.808 -11.469 6.389 1.00 0.00 C ATOM 356 C GLY A 25 -10.499 -10.049 6.866 1.00 0.00 C ATOM 357 O GLY A 25 -11.368 -9.202 6.923 1.00 0.00 O ATOM 0 H GLY A 25 -9.028 -12.302 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.212 -11.443 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.571 -11.918 7.025 1.00 0.00 H new ATOM 361 N THR A 26 -9.269 -9.779 7.209 1.00 0.00 N ATOM 362 CA THR A 26 -8.915 -8.410 7.681 1.00 0.00 C ATOM 363 C THR A 26 -9.157 -7.392 6.565 1.00 0.00 C ATOM 364 O THR A 26 -9.275 -7.741 5.407 1.00 0.00 O ATOM 365 CB THR A 26 -7.426 -8.478 8.029 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.706 -9.018 6.930 1.00 0.00 O ATOM 367 CG2 THR A 26 -7.229 -9.366 9.257 1.00 0.00 C ATOM 0 H THR A 26 -8.496 -10.444 7.183 1.00 0.00 H new ATOM 0 HA THR A 26 -9.517 -8.100 8.535 1.00 0.00 H new ATOM 0 HB THR A 26 -7.057 -7.475 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.687 -9.995 7.000 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.169 -9.414 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.780 -8.949 10.100 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.598 -10.369 9.043 1.00 0.00 H new ATOM 375 N GLU A 27 -9.230 -6.135 6.903 1.00 0.00 N ATOM 376 CA GLU A 27 -9.464 -5.098 5.858 1.00 0.00 C ATOM 377 C GLU A 27 -8.629 -3.849 6.157 1.00 0.00 C ATOM 378 O GLU A 27 -8.384 -3.512 7.299 1.00 0.00 O ATOM 379 CB GLU A 27 -10.958 -4.779 5.942 1.00 0.00 C ATOM 380 CG GLU A 27 -11.763 -5.966 5.410 1.00 0.00 C ATOM 381 CD GLU A 27 -13.093 -6.060 6.161 1.00 0.00 C ATOM 382 OE1 GLU A 27 -13.595 -5.025 6.567 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.586 -7.165 6.317 1.00 0.00 O ATOM 0 H GLU A 27 -9.138 -5.781 7.855 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.177 -5.441 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.239 -4.569 6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.183 -3.884 5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.944 -5.846 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.196 -6.889 5.536 1.00 0.00 H new ATOM 390 N GLU A 28 -8.191 -3.161 5.140 1.00 0.00 N ATOM 391 CA GLU A 28 -7.373 -1.935 5.365 1.00 0.00 C ATOM 392 C GLU A 28 -7.669 -0.897 4.280 1.00 0.00 C ATOM 393 O GLU A 28 -7.891 -1.231 3.133 1.00 0.00 O ATOM 394 CB GLU A 28 -5.920 -2.407 5.274 1.00 0.00 C ATOM 395 CG GLU A 28 -4.986 -1.277 5.713 1.00 0.00 C ATOM 396 CD GLU A 28 -4.160 -1.735 6.916 1.00 0.00 C ATOM 397 OE1 GLU A 28 -3.225 -2.491 6.714 1.00 0.00 O ATOM 398 OE2 GLU A 28 -4.480 -1.324 8.019 1.00 0.00 O ATOM 0 H GLU A 28 -8.364 -3.394 4.162 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.589 -1.463 6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.771 -3.282 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.688 -2.708 4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.327 -0.996 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.566 -0.392 5.973 1.00 0.00 H new ATOM 405 N TRP A 29 -7.673 0.359 4.630 1.00 0.00 N ATOM 406 CA TRP A 29 -7.955 1.414 3.613 1.00 0.00 C ATOM 407 C TRP A 29 -6.739 2.328 3.453 1.00 0.00 C ATOM 408 O TRP A 29 -6.268 2.924 4.402 1.00 0.00 O ATOM 409 CB TRP A 29 -9.156 2.208 4.144 1.00 0.00 C ATOM 410 CG TRP A 29 -9.325 1.981 5.614 1.00 0.00 C ATOM 411 CD1 TRP A 29 -9.159 2.923 6.571 1.00 0.00 C ATOM 412 CD2 TRP A 29 -9.692 0.753 6.307 1.00 0.00 C ATOM 413 NE1 TRP A 29 -9.402 2.352 7.807 1.00 0.00 N ATOM 414 CE2 TRP A 29 -9.732 1.016 7.698 1.00 0.00 C ATOM 415 CE3 TRP A 29 -9.989 -0.550 5.871 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -10.058 0.022 8.621 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -10.316 -1.552 6.798 1.00 0.00 C ATOM 418 CH2 TRP A 29 -10.351 -1.266 8.171 1.00 0.00 C ATOM 0 H TRP A 29 -7.494 0.702 5.574 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.168 0.982 2.635 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.012 3.271 3.948 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.061 1.906 3.617 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.882 3.952 6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.344 2.857 8.692 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.965 -0.782 4.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.083 0.248 9.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -10.542 -2.550 6.452 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -10.604 -2.042 8.879 1.00 0.00 H new ATOM 429 N ARG A 30 -6.227 2.441 2.260 1.00 0.00 N ATOM 430 CA ARG A 30 -5.038 3.314 2.036 1.00 0.00 C ATOM 431 C ARG A 30 -5.375 4.409 1.020 1.00 0.00 C ATOM 432 O ARG A 30 -6.316 4.294 0.261 1.00 0.00 O ATOM 433 CB ARG A 30 -3.957 2.381 1.484 1.00 0.00 C ATOM 434 CG ARG A 30 -4.133 0.981 2.080 1.00 0.00 C ATOM 435 CD ARG A 30 -2.771 0.296 2.196 1.00 0.00 C ATOM 436 NE ARG A 30 -2.854 -0.875 1.281 1.00 0.00 N ATOM 437 CZ ARG A 30 -2.680 -0.716 -0.004 1.00 0.00 C ATOM 438 NH1 ARG A 30 -2.443 0.472 -0.491 1.00 0.00 N ATOM 439 NH2 ARG A 30 -2.742 -1.748 -0.801 1.00 0.00 N ATOM 0 H ARG A 30 -6.580 1.967 1.429 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.713 3.815 2.948 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.022 2.335 0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.968 2.769 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.601 1.049 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.797 0.388 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.964 0.969 1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.572 -0.017 3.221 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.047 -1.803 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.393 1.278 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.307 0.594 -1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.926 -2.676 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.606 -1.626 -1.805 1.00 0.00 H new ATOM 453 N CYS A 31 -4.617 5.471 1.000 1.00 0.00 N ATOM 454 CA CYS A 31 -4.902 6.570 0.031 1.00 0.00 C ATOM 455 C CYS A 31 -3.725 6.751 -0.931 1.00 0.00 C ATOM 456 O CYS A 31 -2.635 6.272 -0.692 1.00 0.00 O ATOM 457 CB CYS A 31 -5.091 7.818 0.894 1.00 0.00 C ATOM 458 SG CYS A 31 -6.789 7.864 1.519 1.00 0.00 S ATOM 0 H CYS A 31 -3.815 5.626 1.610 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.779 6.362 -0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.386 7.809 1.725 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.883 8.714 0.309 1.00 0.00 H new ATOM 463 N LEU A 32 -3.939 7.438 -2.020 1.00 0.00 N ATOM 464 CA LEU A 32 -2.834 7.647 -3.002 1.00 0.00 C ATOM 465 C LEU A 32 -1.782 8.600 -2.424 1.00 0.00 C ATOM 466 O LEU A 32 -1.633 8.722 -1.225 1.00 0.00 O ATOM 467 CB LEU A 32 -3.505 8.271 -4.226 1.00 0.00 C ATOM 468 CG LEU A 32 -4.561 7.310 -4.775 1.00 0.00 C ATOM 469 CD1 LEU A 32 -5.560 8.086 -5.634 1.00 0.00 C ATOM 470 CD2 LEU A 32 -3.879 6.241 -5.629 1.00 0.00 C ATOM 0 H LEU A 32 -4.831 7.864 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.320 6.718 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.967 9.220 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.760 8.486 -4.992 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.087 6.835 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.312 7.401 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.045 8.850 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.035 8.561 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.630 5.555 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.354 6.717 -6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.166 5.688 -5.018 1.00 0.00 H new ATOM 482 N LEU A 33 -1.052 9.271 -3.272 1.00 0.00 N ATOM 483 CA LEU A 33 -0.009 10.215 -2.775 1.00 0.00 C ATOM 484 C LEU A 33 -0.587 11.627 -2.653 1.00 0.00 C ATOM 485 O LEU A 33 -1.650 11.920 -3.160 1.00 0.00 O ATOM 486 CB LEU A 33 1.094 10.176 -3.835 1.00 0.00 C ATOM 487 CG LEU A 33 2.285 9.376 -3.304 1.00 0.00 C ATOM 488 CD1 LEU A 33 1.802 8.012 -2.805 1.00 0.00 C ATOM 489 CD2 LEU A 33 3.305 9.174 -4.427 1.00 0.00 C ATOM 0 H LEU A 33 -1.132 9.207 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 33 0.362 9.939 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.717 9.722 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.407 11.189 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 33 2.750 9.920 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.650 7.442 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.075 8.154 -2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.337 7.468 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.154 8.604 -4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.839 8.630 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.650 10.144 -4.784 1.00 0.00 H new ATOM 501 N THR A 34 0.110 12.505 -1.984 1.00 0.00 N ATOM 502 CA THR A 34 -0.397 13.900 -1.830 1.00 0.00 C ATOM 503 C THR A 34 -1.772 13.892 -1.156 1.00 0.00 C ATOM 504 O THR A 34 -2.544 14.821 -1.290 1.00 0.00 O ATOM 505 CB THR A 34 -0.500 14.444 -3.255 1.00 0.00 C ATOM 506 OG1 THR A 34 0.700 14.153 -3.957 1.00 0.00 O ATOM 507 CG2 THR A 34 -0.714 15.958 -3.212 1.00 0.00 C ATOM 0 H THR A 34 1.008 12.318 -1.538 1.00 0.00 H new ATOM 0 HA THR A 34 0.257 14.511 -1.208 1.00 0.00 H new ATOM 0 HB THR A 34 -1.343 13.976 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.636 14.499 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.787 16.344 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.635 16.180 -2.672 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.127 16.430 -2.704 1.00 0.00 H new ATOM 515 N PHE A 35 -2.082 12.854 -0.429 1.00 0.00 N ATOM 516 CA PHE A 35 -3.407 12.790 0.253 1.00 0.00 C ATOM 517 C PHE A 35 -3.218 12.539 1.750 1.00 0.00 C ATOM 518 O PHE A 35 -2.213 12.009 2.179 1.00 0.00 O ATOM 519 CB PHE A 35 -4.134 11.613 -0.397 1.00 0.00 C ATOM 520 CG PHE A 35 -5.432 12.093 -1.001 1.00 0.00 C ATOM 521 CD1 PHE A 35 -6.558 12.272 -0.188 1.00 0.00 C ATOM 522 CD2 PHE A 35 -5.509 12.357 -2.373 1.00 0.00 C ATOM 523 CE1 PHE A 35 -7.763 12.718 -0.749 1.00 0.00 C ATOM 524 CE2 PHE A 35 -6.712 12.802 -2.934 1.00 0.00 C ATOM 525 CZ PHE A 35 -7.840 12.982 -2.122 1.00 0.00 C ATOM 0 H PHE A 35 -1.476 12.048 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.967 13.720 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.506 11.165 -1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.330 10.839 0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.498 12.067 0.871 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.640 12.217 -2.999 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.631 12.858 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.771 13.007 -3.993 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.768 13.324 -2.555 1.00 0.00 H new ATOM 535 N LYS A 36 -4.180 12.912 2.547 1.00 0.00 N ATOM 536 CA LYS A 36 -4.061 12.689 4.015 1.00 0.00 C ATOM 537 C LYS A 36 -5.424 12.301 4.591 1.00 0.00 C ATOM 538 O LYS A 36 -6.412 12.977 4.383 1.00 0.00 O ATOM 539 CB LYS A 36 -3.598 14.031 4.584 1.00 0.00 C ATOM 540 CG LYS A 36 -2.111 13.950 4.937 1.00 0.00 C ATOM 541 CD LYS A 36 -1.845 14.743 6.218 1.00 0.00 C ATOM 542 CE LYS A 36 -1.106 13.857 7.223 1.00 0.00 C ATOM 543 NZ LYS A 36 -2.176 13.266 8.073 1.00 0.00 N ATOM 0 H LYS A 36 -5.044 13.362 2.245 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.367 11.885 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.767 14.825 3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.180 14.282 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.815 12.910 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.510 14.348 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.251 15.629 5.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.786 15.090 6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.530 13.082 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.403 14.438 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.748 12.644 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.703 14.027 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.826 12.713 7.478 1.00 0.00 H new ATOM 557 N GLU A 37 -5.488 11.216 5.312 1.00 0.00 N ATOM 558 CA GLU A 37 -6.790 10.788 5.894 1.00 0.00 C ATOM 559 C GLU A 37 -6.882 11.204 7.363 1.00 0.00 C ATOM 560 O GLU A 37 -6.005 10.920 8.157 1.00 0.00 O ATOM 561 CB GLU A 37 -6.804 9.267 5.760 1.00 0.00 C ATOM 562 CG GLU A 37 -7.769 8.864 4.644 1.00 0.00 C ATOM 563 CD GLU A 37 -7.601 7.375 4.336 1.00 0.00 C ATOM 564 OE1 GLU A 37 -6.468 6.931 4.254 1.00 0.00 O ATOM 565 OE2 GLU A 37 -8.608 6.703 4.186 1.00 0.00 O ATOM 0 H GLU A 37 -4.696 10.608 5.523 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.638 11.248 5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.801 8.901 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.109 8.811 6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.796 9.070 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.574 9.455 3.749 1.00 0.00 H new ATOM 572 N GLU A 38 -7.939 11.872 7.734 1.00 0.00 N ATOM 573 CA GLU A 38 -8.091 12.303 9.154 1.00 0.00 C ATOM 574 C GLU A 38 -9.541 12.121 9.606 1.00 0.00 C ATOM 575 O GLU A 38 -10.401 12.925 9.308 1.00 0.00 O ATOM 576 CB GLU A 38 -7.707 13.783 9.161 1.00 0.00 C ATOM 577 CG GLU A 38 -8.376 14.491 7.980 1.00 0.00 C ATOM 578 CD GLU A 38 -8.868 15.869 8.423 1.00 0.00 C ATOM 579 OE1 GLU A 38 -9.736 15.919 9.280 1.00 0.00 O ATOM 580 OE2 GLU A 38 -8.370 16.851 7.898 1.00 0.00 O ATOM 0 H GLU A 38 -8.705 12.139 7.116 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.471 11.719 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.017 14.245 10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.624 13.889 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.670 14.593 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.212 13.896 7.612 1.00 0.00 H new ATOM 587 N GLY A 39 -9.821 11.068 10.328 1.00 0.00 N ATOM 588 CA GLY A 39 -11.216 10.837 10.798 1.00 0.00 C ATOM 589 C GLY A 39 -11.887 9.784 9.914 1.00 0.00 C ATOM 590 O GLY A 39 -13.097 9.673 9.875 1.00 0.00 O ATOM 0 H GLY A 39 -9.144 10.360 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.211 10.505 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.781 11.769 10.764 1.00 0.00 H new ATOM 594 N GLY A 40 -11.115 9.009 9.203 1.00 0.00 N ATOM 595 CA GLY A 40 -11.712 7.964 8.324 1.00 0.00 C ATOM 596 C GLY A 40 -11.945 8.542 6.928 1.00 0.00 C ATOM 597 O GLY A 40 -12.271 7.832 5.997 1.00 0.00 O ATOM 0 H GLY A 40 -10.096 9.054 9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.049 7.101 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.654 7.614 8.746 1.00 0.00 H new ATOM 601 N LYS A 41 -11.777 9.827 6.774 1.00 0.00 N ATOM 602 CA LYS A 41 -11.984 10.452 5.436 1.00 0.00 C ATOM 603 C LYS A 41 -10.631 10.750 4.785 1.00 0.00 C ATOM 604 O LYS A 41 -9.652 11.000 5.457 1.00 0.00 O ATOM 605 CB LYS A 41 -12.742 11.750 5.717 1.00 0.00 C ATOM 606 CG LYS A 41 -13.622 12.099 4.515 1.00 0.00 C ATOM 607 CD LYS A 41 -13.731 13.619 4.385 1.00 0.00 C ATOM 608 CE LYS A 41 -13.730 14.008 2.905 1.00 0.00 C ATOM 609 NZ LYS A 41 -15.163 13.992 2.504 1.00 0.00 N ATOM 0 H LYS A 41 -11.505 10.471 7.517 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.532 9.802 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.356 11.638 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.038 12.559 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.197 11.675 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.613 11.662 4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.645 13.971 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.898 14.099 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.289 14.994 2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.146 13.304 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.245 14.249 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.554 13.040 2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.693 14.676 3.081 1.00 0.00 H new ATOM 623 N CYS A 42 -10.569 10.723 3.482 1.00 0.00 N ATOM 624 CA CYS A 42 -9.277 11.003 2.793 1.00 0.00 C ATOM 625 C CYS A 42 -9.367 12.315 2.013 1.00 0.00 C ATOM 626 O CYS A 42 -10.253 12.511 1.205 1.00 0.00 O ATOM 627 CB CYS A 42 -9.075 9.824 1.841 1.00 0.00 C ATOM 628 SG CYS A 42 -7.355 9.789 1.279 1.00 0.00 S ATOM 0 H CYS A 42 -11.356 10.520 2.865 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.448 11.108 3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.323 8.890 2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.746 9.914 0.987 1.00 0.00 H new ATOM 633 N VAL A 43 -8.454 13.218 2.248 1.00 0.00 N ATOM 634 CA VAL A 43 -8.485 14.520 1.520 1.00 0.00 C ATOM 635 C VAL A 43 -7.097 14.843 0.964 1.00 0.00 C ATOM 636 O VAL A 43 -6.113 14.259 1.376 1.00 0.00 O ATOM 637 CB VAL A 43 -8.892 15.554 2.570 1.00 0.00 C ATOM 638 CG1 VAL A 43 -10.036 14.999 3.420 1.00 0.00 C ATOM 639 CG2 VAL A 43 -7.693 15.867 3.471 1.00 0.00 C ATOM 0 H VAL A 43 -7.688 13.111 2.913 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.174 14.505 0.676 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.220 16.466 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.325 15.737 4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.890 14.777 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.709 14.086 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.983 16.604 4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.364 14.955 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.878 16.265 2.867 1.00 0.00 H new ATOM 649 N PRO A 44 -7.064 15.770 0.048 1.00 0.00 N ATOM 650 CA PRO A 44 -5.778 16.178 -0.566 1.00 0.00 C ATOM 651 C PRO A 44 -4.814 16.655 0.523 1.00 0.00 C ATOM 652 O PRO A 44 -5.197 17.348 1.444 1.00 0.00 O ATOM 653 CB PRO A 44 -6.158 17.328 -1.499 1.00 0.00 C ATOM 654 CG PRO A 44 -7.638 17.211 -1.701 1.00 0.00 C ATOM 655 CD PRO A 44 -8.203 16.512 -0.494 1.00 0.00 C ATOM 0 HA PRO A 44 -5.278 15.367 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.897 18.291 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.626 17.255 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.088 18.197 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.858 16.649 -2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.598 17.223 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.022 15.845 -0.765 1.00 0.00 H new ATOM 663 N ALA A 45 -3.566 16.289 0.426 1.00 0.00 N ATOM 664 CA ALA A 45 -2.586 16.724 1.463 1.00 0.00 C ATOM 665 C ALA A 45 -1.540 17.655 0.842 1.00 0.00 C ATOM 666 O ALA A 45 -1.839 18.448 -0.028 1.00 0.00 O ATOM 667 CB ALA A 45 -1.930 15.434 1.955 1.00 0.00 C ATOM 0 H ALA A 45 -3.183 15.711 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.061 17.275 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.193 15.670 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.691 14.775 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.437 14.935 1.121 1.00 0.00 H new ATOM 673 N SER A 46 -0.317 17.565 1.285 1.00 0.00 N ATOM 674 CA SER A 46 0.746 18.445 0.721 1.00 0.00 C ATOM 675 C SER A 46 2.057 18.253 1.489 1.00 0.00 C ATOM 676 O SER A 46 3.133 18.332 0.929 1.00 0.00 O ATOM 677 CB SER A 46 0.222 19.868 0.904 1.00 0.00 C ATOM 678 OG SER A 46 0.057 20.476 -0.369 1.00 0.00 O ATOM 0 H SER A 46 -0.007 16.921 2.013 1.00 0.00 H new ATOM 0 HA SER A 46 0.955 18.219 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.728 19.852 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.918 20.449 1.509 1.00 0.00 H new ATOM 0 HG SER A 46 -0.685 20.046 -0.843 1.00 0.00 H new ATOM 684 N ASN A 47 1.976 18.002 2.766 1.00 0.00 N ATOM 685 CA ASN A 47 3.219 17.805 3.568 1.00 0.00 C ATOM 686 C ASN A 47 3.660 16.340 3.517 1.00 0.00 C ATOM 687 O ASN A 47 4.686 15.973 4.058 1.00 0.00 O ATOM 688 CB ASN A 47 2.834 18.199 4.996 1.00 0.00 C ATOM 689 CG ASN A 47 2.470 19.684 5.036 1.00 0.00 C ATOM 690 OD1 ASN A 47 3.304 20.518 5.329 1.00 0.00 O ATOM 691 ND2 ASN A 47 1.251 20.053 4.752 1.00 0.00 N ATOM 0 H ASN A 47 1.104 17.925 3.290 1.00 0.00 H new ATOM 0 HA ASN A 47 4.051 18.398 3.189 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.990 17.598 5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.662 17.998 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.999 21.041 4.776 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.551 19.353 4.506 1.00 0.00 H new ATOM 698 N VAL A 48 2.899 15.500 2.872 1.00 0.00 N ATOM 699 CA VAL A 48 3.280 14.060 2.792 1.00 0.00 C ATOM 700 C VAL A 48 4.590 13.902 2.014 1.00 0.00 C ATOM 701 O VAL A 48 4.697 14.298 0.871 1.00 0.00 O ATOM 702 CB VAL A 48 2.131 13.383 2.046 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.259 11.865 2.182 1.00 0.00 C ATOM 704 CG2 VAL A 48 0.798 13.835 2.646 1.00 0.00 C ATOM 0 H VAL A 48 2.031 15.747 2.397 1.00 0.00 H new ATOM 0 HA VAL A 48 3.439 13.622 3.777 1.00 0.00 H new ATOM 0 HB VAL A 48 2.170 13.659 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.440 11.382 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.209 11.540 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.220 11.590 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.022 13.353 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.761 13.558 3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.705 14.917 2.552 1.00 0.00 H new ATOM 714 N THR A 49 5.586 13.321 2.627 1.00 0.00 N ATOM 715 CA THR A 49 6.889 13.135 1.927 1.00 0.00 C ATOM 716 C THR A 49 7.820 12.264 2.776 1.00 0.00 C ATOM 717 O THR A 49 7.519 11.941 3.908 1.00 0.00 O ATOM 718 CB THR A 49 7.463 14.544 1.775 1.00 0.00 C ATOM 719 OG1 THR A 49 6.939 15.380 2.795 1.00 0.00 O ATOM 720 CG2 THR A 49 7.081 15.108 0.404 1.00 0.00 C ATOM 0 H THR A 49 5.553 12.967 3.583 1.00 0.00 H new ATOM 0 HA THR A 49 6.775 12.637 0.964 1.00 0.00 H new ATOM 0 HB THR A 49 8.549 14.505 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.307 16.283 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.491 16.112 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.485 14.466 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.995 15.148 0.317 1.00 0.00 H new ATOM 728 N CYS A 50 8.941 11.874 2.234 1.00 0.00 N ATOM 729 CA CYS A 50 9.888 11.014 3.007 1.00 0.00 C ATOM 730 C CYS A 50 9.922 11.426 4.484 1.00 0.00 C ATOM 731 O CYS A 50 10.176 10.615 5.351 1.00 0.00 O ATOM 732 CB CYS A 50 11.255 11.233 2.356 1.00 0.00 C ATOM 733 SG CYS A 50 12.125 9.650 2.237 1.00 0.00 S ATOM 0 H CYS A 50 9.244 12.112 1.290 1.00 0.00 H new ATOM 0 HA CYS A 50 9.589 9.966 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.132 11.668 1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.841 11.939 2.944 1.00 0.00 H new ATOM 738 N LYS A 51 9.666 12.673 4.778 1.00 0.00 N ATOM 739 CA LYS A 51 9.683 13.118 6.206 1.00 0.00 C ATOM 740 C LYS A 51 9.055 12.038 7.092 1.00 0.00 C ATOM 741 O LYS A 51 9.671 11.531 8.008 1.00 0.00 O ATOM 742 CB LYS A 51 8.843 14.395 6.235 1.00 0.00 C ATOM 743 CG LYS A 51 9.482 15.448 5.327 1.00 0.00 C ATOM 744 CD LYS A 51 9.469 16.805 6.032 1.00 0.00 C ATOM 745 CE LYS A 51 10.905 17.257 6.301 1.00 0.00 C ATOM 746 NZ LYS A 51 11.544 17.326 4.958 1.00 0.00 N ATOM 0 H LYS A 51 9.447 13.400 4.097 1.00 0.00 H new ATOM 0 HA LYS A 51 10.693 13.292 6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.827 14.182 5.903 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.773 14.773 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.506 15.162 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.937 15.510 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.955 17.542 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.918 16.734 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.927 18.226 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.426 16.553 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.209 18.125 4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.058 16.441 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.812 17.460 4.232 1.00 0.00 H new ATOM 760 N ASP A 52 7.836 11.671 6.808 1.00 0.00 N ATOM 761 CA ASP A 52 7.160 10.610 7.608 1.00 0.00 C ATOM 762 C ASP A 52 6.958 9.383 6.719 1.00 0.00 C ATOM 763 O ASP A 52 7.900 8.865 6.150 1.00 0.00 O ATOM 764 CB ASP A 52 5.814 11.215 8.013 1.00 0.00 C ATOM 765 CG ASP A 52 6.048 12.399 8.952 1.00 0.00 C ATOM 766 OD1 ASP A 52 7.175 12.861 9.022 1.00 0.00 O ATOM 767 OD2 ASP A 52 5.096 12.823 9.585 1.00 0.00 O ATOM 0 H ASP A 52 7.275 12.063 6.051 1.00 0.00 H new ATOM 0 HA ASP A 52 7.732 10.298 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.269 11.542 7.127 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.199 10.462 8.506 1.00 0.00 H new ATOM 772 N ASN A 53 5.746 8.929 6.553 1.00 0.00 N ATOM 773 CA ASN A 53 5.530 7.772 5.662 1.00 0.00 C ATOM 774 C ASN A 53 5.906 8.218 4.260 1.00 0.00 C ATOM 775 O ASN A 53 5.255 9.053 3.668 1.00 0.00 O ATOM 776 CB ASN A 53 4.036 7.457 5.756 1.00 0.00 C ATOM 777 CG ASN A 53 3.847 5.993 6.156 1.00 0.00 C ATOM 778 OD1 ASN A 53 3.880 5.113 5.319 1.00 0.00 O ATOM 779 ND2 ASN A 53 3.649 5.691 7.411 1.00 0.00 N ATOM 0 H ASN A 53 4.909 9.309 6.994 1.00 0.00 H new ATOM 0 HA ASN A 53 6.118 6.892 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.561 8.109 6.489 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.552 7.649 4.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.522 4.717 7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.621 6.429 8.115 1.00 0.00 H new ATOM 786 N ASN A 54 6.976 7.695 3.758 1.00 0.00 N ATOM 787 CA ASN A 54 7.464 8.102 2.406 1.00 0.00 C ATOM 788 C ASN A 54 6.311 8.544 1.498 1.00 0.00 C ATOM 789 O ASN A 54 5.807 7.791 0.693 1.00 0.00 O ATOM 790 CB ASN A 54 8.192 6.886 1.829 1.00 0.00 C ATOM 791 CG ASN A 54 7.631 5.588 2.418 1.00 0.00 C ATOM 792 OD1 ASN A 54 6.488 5.529 2.825 1.00 0.00 O ATOM 793 ND2 ASN A 54 8.403 4.536 2.472 1.00 0.00 N ATOM 0 H ASN A 54 7.548 6.992 4.226 1.00 0.00 H new ATOM 0 HA ASN A 54 8.130 8.962 2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.087 6.874 0.744 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.258 6.958 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.047 3.661 2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.362 4.589 2.129 1.00 0.00 H new ATOM 800 N GLY A 55 5.909 9.784 1.626 1.00 0.00 N ATOM 801 CA GLY A 55 4.803 10.331 0.784 1.00 0.00 C ATOM 802 C GLY A 55 3.770 9.244 0.482 1.00 0.00 C ATOM 803 O GLY A 55 3.247 9.161 -0.611 1.00 0.00 O ATOM 0 H GLY A 55 6.307 10.449 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.323 11.163 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.208 10.724 -0.148 1.00 0.00 H new ATOM 807 N GLY A 56 3.465 8.409 1.438 1.00 0.00 N ATOM 808 CA GLY A 56 2.462 7.333 1.191 1.00 0.00 C ATOM 809 C GLY A 56 3.077 6.285 0.268 1.00 0.00 C ATOM 810 O GLY A 56 2.416 5.721 -0.582 1.00 0.00 O ATOM 0 H GLY A 56 3.865 8.425 2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.161 6.875 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.563 7.752 0.739 1.00 0.00 H new ATOM 814 N CYS A 57 4.341 6.028 0.429 1.00 0.00 N ATOM 815 CA CYS A 57 5.025 5.026 -0.432 1.00 0.00 C ATOM 816 C CYS A 57 5.011 3.656 0.250 1.00 0.00 C ATOM 817 O CYS A 57 5.108 2.632 -0.397 1.00 0.00 O ATOM 818 CB CYS A 57 6.451 5.553 -0.559 1.00 0.00 C ATOM 819 SG CYS A 57 6.533 6.836 -1.836 1.00 0.00 S ATOM 0 H CYS A 57 4.937 6.473 1.127 1.00 0.00 H new ATOM 0 HA CYS A 57 4.545 4.898 -1.402 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.783 5.959 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.127 4.736 -0.810 1.00 0.00 H new ATOM 824 N ALA A 58 4.892 3.638 1.558 1.00 0.00 N ATOM 825 CA ALA A 58 4.863 2.343 2.315 1.00 0.00 C ATOM 826 C ALA A 58 6.279 1.939 2.744 1.00 0.00 C ATOM 827 O ALA A 58 7.217 2.052 1.979 1.00 0.00 O ATOM 828 CB ALA A 58 4.265 1.307 1.356 1.00 0.00 C ATOM 0 H ALA A 58 4.813 4.473 2.139 1.00 0.00 H new ATOM 0 HA ALA A 58 4.271 2.424 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.217 0.337 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.261 1.616 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.891 1.230 0.467 1.00 0.00 H new ATOM 834 N PRO A 59 6.381 1.490 3.968 1.00 0.00 N ATOM 835 CA PRO A 59 7.693 1.072 4.528 1.00 0.00 C ATOM 836 C PRO A 59 8.290 -0.089 3.726 1.00 0.00 C ATOM 837 O PRO A 59 9.472 -0.116 3.448 1.00 0.00 O ATOM 838 CB PRO A 59 7.370 0.627 5.955 1.00 0.00 C ATOM 839 CG PRO A 59 6.001 1.160 6.249 1.00 0.00 C ATOM 840 CD PRO A 59 5.293 1.332 4.934 1.00 0.00 C ATOM 0 HA PRO A 59 8.430 1.875 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.393 -0.459 6.040 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.102 1.018 6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.452 0.473 6.893 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.065 2.111 6.778 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.672 0.468 4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.637 2.203 4.944 1.00 0.00 H new ATOM 848 N GLU A 60 7.488 -1.047 3.345 1.00 0.00 N ATOM 849 CA GLU A 60 8.031 -2.192 2.558 1.00 0.00 C ATOM 850 C GLU A 60 8.789 -1.653 1.343 1.00 0.00 C ATOM 851 O GLU A 60 9.627 -2.318 0.768 1.00 0.00 O ATOM 852 CB GLU A 60 6.804 -2.995 2.124 1.00 0.00 C ATOM 853 CG GLU A 60 6.221 -3.729 3.332 1.00 0.00 C ATOM 854 CD GLU A 60 4.835 -3.166 3.652 1.00 0.00 C ATOM 855 OE1 GLU A 60 3.926 -3.408 2.876 1.00 0.00 O ATOM 856 OE2 GLU A 60 4.707 -2.501 4.667 1.00 0.00 O ATOM 0 H GLU A 60 6.488 -1.087 3.543 1.00 0.00 H new ATOM 0 HA GLU A 60 8.726 -2.808 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.055 -2.330 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.080 -3.710 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.152 -4.797 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.879 -3.614 4.193 1.00 0.00 H new ATOM 863 N ALA A 61 8.497 -0.442 0.966 1.00 0.00 N ATOM 864 CA ALA A 61 9.182 0.185 -0.199 1.00 0.00 C ATOM 865 C ALA A 61 10.231 1.183 0.303 1.00 0.00 C ATOM 866 O ALA A 61 10.123 1.713 1.391 1.00 0.00 O ATOM 867 CB ALA A 61 8.079 0.908 -0.972 1.00 0.00 C ATOM 0 H ALA A 61 7.802 0.150 1.422 1.00 0.00 H new ATOM 0 HA ALA A 61 9.697 -0.544 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.508 1.396 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.326 0.187 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.616 1.657 -0.330 1.00 0.00 H new ATOM 873 N GLU A 62 11.248 1.438 -0.470 1.00 0.00 N ATOM 874 CA GLU A 62 12.300 2.395 -0.020 1.00 0.00 C ATOM 875 C GLU A 62 11.910 3.814 -0.437 1.00 0.00 C ATOM 876 O GLU A 62 11.270 4.021 -1.447 1.00 0.00 O ATOM 877 CB GLU A 62 13.577 1.951 -0.734 1.00 0.00 C ATOM 878 CG GLU A 62 14.154 0.720 -0.030 1.00 0.00 C ATOM 879 CD GLU A 62 15.466 0.315 -0.702 1.00 0.00 C ATOM 880 OE1 GLU A 62 15.406 -0.283 -1.764 1.00 0.00 O ATOM 881 OE2 GLU A 62 16.511 0.610 -0.144 1.00 0.00 O ATOM 0 H GLU A 62 11.398 1.027 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 62 12.430 2.399 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.361 1.719 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.307 2.760 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.325 0.938 1.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.442 -0.104 -0.073 1.00 0.00 H new ATOM 888 N CYS A 63 12.257 4.789 0.359 1.00 0.00 N ATOM 889 CA CYS A 63 11.864 6.188 0.036 1.00 0.00 C ATOM 890 C CYS A 63 13.020 6.972 -0.583 1.00 0.00 C ATOM 891 O CYS A 63 14.052 7.178 0.024 1.00 0.00 O ATOM 892 CB CYS A 63 11.492 6.804 1.384 1.00 0.00 C ATOM 893 SG CYS A 63 10.895 8.495 1.126 1.00 0.00 S ATOM 0 H CYS A 63 12.795 4.676 1.218 1.00 0.00 H new ATOM 0 HA CYS A 63 11.051 6.213 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.722 6.205 1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 63 12.358 6.809 2.046 1.00 0.00 H new ATOM 898 N LYS A 64 12.824 7.437 -1.783 1.00 0.00 N ATOM 899 CA LYS A 64 13.873 8.244 -2.465 1.00 0.00 C ATOM 900 C LYS A 64 13.271 9.593 -2.867 1.00 0.00 C ATOM 901 O LYS A 64 12.223 9.654 -3.479 1.00 0.00 O ATOM 902 CB LYS A 64 14.262 7.433 -3.703 1.00 0.00 C ATOM 903 CG LYS A 64 15.580 6.701 -3.439 1.00 0.00 C ATOM 904 CD LYS A 64 16.537 6.936 -4.609 1.00 0.00 C ATOM 905 CE LYS A 64 17.403 5.693 -4.818 1.00 0.00 C ATOM 906 NZ LYS A 64 18.722 6.037 -4.217 1.00 0.00 N ATOM 0 H LYS A 64 11.973 7.291 -2.327 1.00 0.00 H new ATOM 0 HA LYS A 64 14.740 8.440 -1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.477 6.716 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.366 8.092 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.028 7.059 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.397 5.634 -3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.973 7.156 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.168 7.802 -4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.964 4.820 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.502 5.454 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.372 5.232 -4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.119 6.867 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.598 6.253 -3.207 1.00 0.00 H new ATOM 920 N MET A 65 13.907 10.675 -2.517 1.00 0.00 N ATOM 921 CA MET A 65 13.345 12.010 -2.872 1.00 0.00 C ATOM 922 C MET A 65 14.284 12.756 -3.824 1.00 0.00 C ATOM 923 O MET A 65 15.490 12.628 -3.751 1.00 0.00 O ATOM 924 CB MET A 65 13.221 12.747 -1.539 1.00 0.00 C ATOM 925 CG MET A 65 12.134 13.816 -1.642 1.00 0.00 C ATOM 926 SD MET A 65 11.955 14.644 -0.042 1.00 0.00 S ATOM 927 CE MET A 65 10.157 14.503 0.084 1.00 0.00 C ATOM 0 H MET A 65 14.788 10.695 -2.003 1.00 0.00 H new ATOM 0 HA MET A 65 12.387 11.932 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 65 12.978 12.042 -0.744 1.00 0.00 H new ATOM 0 HB3 MET A 65 14.174 13.207 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.393 14.542 -2.413 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.188 13.362 -1.937 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.735 15.469 0.360 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.748 14.189 -0.877 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.902 13.765 0.845 1.00 0.00 H new ATOM 937 N THR A 66 13.736 13.531 -4.719 1.00 0.00 N ATOM 938 CA THR A 66 14.587 14.283 -5.684 1.00 0.00 C ATOM 939 C THR A 66 14.993 15.640 -5.099 1.00 0.00 C ATOM 940 O THR A 66 14.638 15.983 -3.989 1.00 0.00 O ATOM 941 CB THR A 66 13.708 14.473 -6.922 1.00 0.00 C ATOM 942 OG1 THR A 66 14.418 15.232 -7.891 1.00 0.00 O ATOM 943 CG2 THR A 66 12.425 15.207 -6.533 1.00 0.00 C ATOM 0 H THR A 66 12.732 13.676 -4.824 1.00 0.00 H new ATOM 0 HA THR A 66 15.511 13.753 -5.915 1.00 0.00 H new ATOM 0 HB THR A 66 13.451 13.499 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.858 15.354 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.801 15.341 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.882 14.622 -5.790 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.676 16.182 -6.115 1.00 0.00 H new ATOM 951 N ASP A 67 15.739 16.410 -5.843 1.00 0.00 N ATOM 952 CA ASP A 67 16.180 17.746 -5.344 1.00 0.00 C ATOM 953 C ASP A 67 14.969 18.641 -5.062 1.00 0.00 C ATOM 954 O ASP A 67 15.082 19.671 -4.428 1.00 0.00 O ATOM 955 CB ASP A 67 17.023 18.332 -6.476 1.00 0.00 C ATOM 956 CG ASP A 67 16.264 18.206 -7.798 1.00 0.00 C ATOM 957 OD1 ASP A 67 15.064 18.428 -7.792 1.00 0.00 O ATOM 958 OD2 ASP A 67 16.894 17.890 -8.793 1.00 0.00 O ATOM 0 H ASP A 67 16.064 16.171 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 67 16.739 17.670 -4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.247 19.379 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.977 17.809 -6.541 1.00 0.00 H new ATOM 963 N SER A 68 13.813 18.255 -5.523 1.00 0.00 N ATOM 964 CA SER A 68 12.598 19.082 -5.279 1.00 0.00 C ATOM 965 C SER A 68 11.873 18.563 -4.041 1.00 0.00 C ATOM 966 O SER A 68 10.758 18.948 -3.747 1.00 0.00 O ATOM 967 CB SER A 68 11.736 18.900 -6.528 1.00 0.00 C ATOM 968 OG SER A 68 12.244 19.719 -7.573 1.00 0.00 O ATOM 0 H SER A 68 13.656 17.401 -6.059 1.00 0.00 H new ATOM 0 HA SER A 68 12.830 20.133 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.738 17.854 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.701 19.166 -6.312 1.00 0.00 H new ATOM 0 HG SER A 68 13.150 19.427 -7.806 1.00 0.00 H new ATOM 974 N ASN A 69 12.501 17.681 -3.316 1.00 0.00 N ATOM 975 CA ASN A 69 11.865 17.121 -2.097 1.00 0.00 C ATOM 976 C ASN A 69 10.615 16.325 -2.477 1.00 0.00 C ATOM 977 O ASN A 69 9.663 16.247 -1.727 1.00 0.00 O ATOM 978 CB ASN A 69 11.499 18.331 -1.239 1.00 0.00 C ATOM 979 CG ASN A 69 12.436 18.403 -0.032 1.00 0.00 C ATOM 980 OD1 ASN A 69 12.756 17.394 0.566 1.00 0.00 O ATOM 981 ND2 ASN A 69 12.893 19.562 0.356 1.00 0.00 N ATOM 0 H ASN A 69 13.434 17.323 -3.519 1.00 0.00 H new ATOM 0 HA ASN A 69 12.526 16.438 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.577 19.245 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.464 18.254 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.518 19.621 1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.625 20.409 -0.145 1.00 0.00 H new ATOM 988 N LYS A 70 10.614 15.735 -3.639 1.00 0.00 N ATOM 989 CA LYS A 70 9.431 14.939 -4.072 1.00 0.00 C ATOM 990 C LYS A 70 9.589 13.485 -3.621 1.00 0.00 C ATOM 991 O LYS A 70 10.583 12.846 -3.900 1.00 0.00 O ATOM 992 CB LYS A 70 9.434 15.032 -5.599 1.00 0.00 C ATOM 993 CG LYS A 70 8.108 15.623 -6.079 1.00 0.00 C ATOM 994 CD LYS A 70 7.198 14.501 -6.579 1.00 0.00 C ATOM 995 CE LYS A 70 6.810 13.597 -5.407 1.00 0.00 C ATOM 996 NZ LYS A 70 5.726 12.724 -5.937 1.00 0.00 N ATOM 0 H LYS A 70 11.382 15.769 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 70 8.499 15.307 -3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.264 15.654 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.582 14.043 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.623 16.163 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.287 16.343 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.304 14.922 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.708 13.920 -7.347 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.660 13.007 -5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.465 14.182 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.407 12.075 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.927 13.313 -6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.086 12.174 -6.743 1.00 0.00 H new ATOM 1010 N ILE A 71 8.624 12.959 -2.915 1.00 0.00 N ATOM 1011 CA ILE A 71 8.738 11.554 -2.442 1.00 0.00 C ATOM 1012 C ILE A 71 8.502 10.564 -3.585 1.00 0.00 C ATOM 1013 O ILE A 71 7.689 10.783 -4.460 1.00 0.00 O ATOM 1014 CB ILE A 71 7.638 11.395 -1.395 1.00 0.00 C ATOM 1015 CG1 ILE A 71 7.415 9.905 -1.140 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.340 12.018 -1.912 1.00 0.00 C ATOM 1017 CD1 ILE A 71 8.730 9.264 -0.707 1.00 0.00 C ATOM 0 H ILE A 71 7.766 13.441 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 71 9.733 11.351 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 71 7.933 11.894 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.658 9.766 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.042 9.422 -2.043 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.557 11.903 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.499 13.078 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.038 11.518 -2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.574 8.201 -0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.473 9.392 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.084 9.741 0.207 1.00 0.00 H new ATOM 1029 N VAL A 72 9.200 9.464 -3.560 1.00 0.00 N ATOM 1030 CA VAL A 72 9.022 8.428 -4.615 1.00 0.00 C ATOM 1031 C VAL A 72 8.851 7.062 -3.946 1.00 0.00 C ATOM 1032 O VAL A 72 9.459 6.782 -2.933 1.00 0.00 O ATOM 1033 CB VAL A 72 10.308 8.472 -5.440 1.00 0.00 C ATOM 1034 CG1 VAL A 72 10.147 7.596 -6.684 1.00 0.00 C ATOM 1035 CG2 VAL A 72 10.590 9.913 -5.868 1.00 0.00 C ATOM 0 H VAL A 72 9.893 9.236 -2.847 1.00 0.00 H new ATOM 0 HA VAL A 72 8.146 8.601 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 72 11.137 8.101 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.064 7.627 -7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.945 6.568 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.317 7.967 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.507 9.945 -6.456 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.760 10.283 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.704 10.540 -4.983 1.00 0.00 H new ATOM 1045 N CYS A 73 8.025 6.212 -4.488 1.00 0.00 N ATOM 1046 CA CYS A 73 7.828 4.877 -3.851 1.00 0.00 C ATOM 1047 C CYS A 73 8.561 3.789 -4.637 1.00 0.00 C ATOM 1048 O CYS A 73 8.422 3.670 -5.838 1.00 0.00 O ATOM 1049 CB CYS A 73 6.319 4.627 -3.895 1.00 0.00 C ATOM 1050 SG CYS A 73 5.434 6.116 -3.371 1.00 0.00 S ATOM 0 H CYS A 73 7.482 6.379 -5.335 1.00 0.00 H new ATOM 0 HA CYS A 73 8.221 4.856 -2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.017 4.350 -4.905 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.061 3.792 -3.244 1.00 0.00 H new ATOM 1055 N LYS A 74 9.332 2.986 -3.957 1.00 0.00 N ATOM 1056 CA LYS A 74 10.069 1.890 -4.644 1.00 0.00 C ATOM 1057 C LYS A 74 10.104 0.655 -3.744 1.00 0.00 C ATOM 1058 O LYS A 74 10.659 0.681 -2.664 1.00 0.00 O ATOM 1059 CB LYS A 74 11.480 2.434 -4.864 1.00 0.00 C ATOM 1060 CG LYS A 74 12.408 1.292 -5.285 1.00 0.00 C ATOM 1061 CD LYS A 74 12.136 0.923 -6.745 1.00 0.00 C ATOM 1062 CE LYS A 74 12.208 -0.597 -6.908 1.00 0.00 C ATOM 1063 NZ LYS A 74 13.613 -0.954 -6.569 1.00 0.00 N ATOM 0 H LYS A 74 9.483 3.043 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 74 9.601 1.595 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.467 3.208 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.849 2.898 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.449 1.592 -5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.248 0.425 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.153 1.286 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.866 1.404 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.502 -1.099 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.959 -0.897 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.793 -1.943 -6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.264 -0.332 -7.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.764 -0.836 -5.547 1.00 0.00 H new ATOM 1077 N CYS A 75 9.523 -0.429 -4.170 1.00 0.00 N ATOM 1078 CA CYS A 75 9.538 -1.653 -3.321 1.00 0.00 C ATOM 1079 C CYS A 75 10.061 -2.847 -4.115 1.00 0.00 C ATOM 1080 O CYS A 75 9.577 -3.157 -5.186 1.00 0.00 O ATOM 1081 CB CYS A 75 8.084 -1.878 -2.907 1.00 0.00 C ATOM 1082 SG CYS A 75 8.045 -2.915 -1.423 1.00 0.00 S ATOM 0 H CYS A 75 9.041 -0.522 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 75 10.191 -1.539 -2.456 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.597 -0.923 -2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.533 -2.358 -3.716 1.00 0.00 H new ATOM 1087 N THR A 76 11.045 -3.523 -3.594 1.00 0.00 N ATOM 1088 CA THR A 76 11.602 -4.704 -4.318 1.00 0.00 C ATOM 1089 C THR A 76 12.173 -5.717 -3.322 1.00 0.00 C ATOM 1090 O THR A 76 13.018 -6.522 -3.659 1.00 0.00 O ATOM 1091 CB THR A 76 12.710 -4.140 -5.207 1.00 0.00 C ATOM 1092 OG1 THR A 76 13.523 -5.205 -5.679 1.00 0.00 O ATOM 1093 CG2 THR A 76 13.566 -3.160 -4.403 1.00 0.00 C ATOM 0 H THR A 76 11.489 -3.312 -2.700 1.00 0.00 H new ATOM 0 HA THR A 76 10.842 -5.227 -4.899 1.00 0.00 H new ATOM 0 HB THR A 76 12.265 -3.618 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.946 -5.656 -4.918 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.355 -2.759 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.941 -2.343 -4.042 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.012 -3.678 -3.554 1.00 0.00 H new ATOM 1101 N LYS A 77 11.716 -5.688 -2.101 1.00 0.00 N ATOM 1102 CA LYS A 77 12.232 -6.653 -1.088 1.00 0.00 C ATOM 1103 C LYS A 77 11.818 -8.078 -1.461 1.00 0.00 C ATOM 1104 O LYS A 77 11.098 -8.736 -0.737 1.00 0.00 O ATOM 1105 CB LYS A 77 11.577 -6.232 0.227 1.00 0.00 C ATOM 1106 CG LYS A 77 12.622 -6.238 1.344 1.00 0.00 C ATOM 1107 CD LYS A 77 11.950 -5.891 2.675 1.00 0.00 C ATOM 1108 CE LYS A 77 11.760 -4.375 2.772 1.00 0.00 C ATOM 1109 NZ LYS A 77 11.394 -4.125 4.193 1.00 0.00 N ATOM 0 H LYS A 77 11.008 -5.038 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 77 13.320 -6.644 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.142 -5.237 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.762 -6.913 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.095 -7.218 1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.409 -5.517 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.986 -6.394 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.560 -6.246 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.672 -3.844 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.977 -4.031 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.247 -3.106 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.518 -4.638 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.161 -4.457 4.812 1.00 0.00 H new ATOM 1123 N GLU A 78 12.267 -8.562 -2.588 1.00 0.00 N ATOM 1124 CA GLU A 78 11.898 -9.946 -3.007 1.00 0.00 C ATOM 1125 C GLU A 78 10.385 -10.047 -3.222 1.00 0.00 C ATOM 1126 O GLU A 78 9.619 -10.143 -2.283 1.00 0.00 O ATOM 1127 CB GLU A 78 12.337 -10.841 -1.847 1.00 0.00 C ATOM 1128 CG GLU A 78 13.550 -11.671 -2.272 1.00 0.00 C ATOM 1129 CD GLU A 78 13.092 -13.069 -2.692 1.00 0.00 C ATOM 1130 OE1 GLU A 78 11.894 -13.282 -2.765 1.00 0.00 O ATOM 1131 OE2 GLU A 78 13.949 -13.903 -2.936 1.00 0.00 O ATOM 0 H GLU A 78 12.873 -8.059 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 78 12.372 -10.234 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.586 -10.232 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.519 -11.498 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.066 -11.183 -3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.261 -11.742 -1.449 1.00 0.00 H new ATOM 1138 N GLY A 79 9.949 -10.027 -4.452 1.00 0.00 N ATOM 1139 CA GLY A 79 8.486 -10.124 -4.727 1.00 0.00 C ATOM 1140 C GLY A 79 7.773 -8.898 -4.153 1.00 0.00 C ATOM 1141 O GLY A 79 6.605 -8.945 -3.822 1.00 0.00 O ATOM 0 H GLY A 79 10.542 -9.948 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.311 -10.189 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.082 -11.033 -4.283 1.00 0.00 H new ATOM 1145 N SER A 80 8.467 -7.800 -4.030 1.00 0.00 N ATOM 1146 CA SER A 80 7.828 -6.573 -3.475 1.00 0.00 C ATOM 1147 C SER A 80 7.318 -5.678 -4.608 1.00 0.00 C ATOM 1148 O SER A 80 8.075 -5.215 -5.438 1.00 0.00 O ATOM 1149 CB SER A 80 8.937 -5.871 -2.696 1.00 0.00 C ATOM 1150 OG SER A 80 8.490 -5.613 -1.370 1.00 0.00 O ATOM 0 H SER A 80 9.448 -7.699 -4.290 1.00 0.00 H new ATOM 0 HA SER A 80 6.968 -6.804 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.832 -6.492 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 80 9.208 -4.937 -3.189 1.00 0.00 H new ATOM 0 HG SER A 80 7.873 -4.852 -1.375 1.00 0.00 H new ATOM 1156 N GLU A 81 6.038 -5.430 -4.646 1.00 0.00 N ATOM 1157 CA GLU A 81 5.472 -4.564 -5.721 1.00 0.00 C ATOM 1158 C GLU A 81 4.430 -3.610 -5.133 1.00 0.00 C ATOM 1159 O GLU A 81 3.438 -4.043 -4.581 1.00 0.00 O ATOM 1160 CB GLU A 81 4.817 -5.532 -6.708 1.00 0.00 C ATOM 1161 CG GLU A 81 4.518 -4.800 -8.018 1.00 0.00 C ATOM 1162 CD GLU A 81 5.828 -4.319 -8.644 1.00 0.00 C ATOM 1163 OE1 GLU A 81 6.745 -5.117 -8.738 1.00 0.00 O ATOM 1164 OE2 GLU A 81 5.891 -3.159 -9.019 1.00 0.00 O ATOM 0 H GLU A 81 5.357 -5.790 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 81 6.233 -3.949 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.477 -6.379 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.896 -5.932 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.996 -5.464 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.859 -3.952 -7.831 1.00 0.00 H new ATOM 1171 N PRO A 82 4.692 -2.339 -5.272 1.00 0.00 N ATOM 1172 CA PRO A 82 3.767 -1.302 -4.742 1.00 0.00 C ATOM 1173 C PRO A 82 2.377 -1.454 -5.366 1.00 0.00 C ATOM 1174 O PRO A 82 2.240 -1.677 -6.552 1.00 0.00 O ATOM 1175 CB PRO A 82 4.409 0.023 -5.162 1.00 0.00 C ATOM 1176 CG PRO A 82 5.448 -0.328 -6.183 1.00 0.00 C ATOM 1177 CD PRO A 82 5.859 -1.751 -5.930 1.00 0.00 C ATOM 0 HA PRO A 82 3.628 -1.374 -3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.665 0.702 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.857 0.528 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.049 -0.217 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.306 0.340 -6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.098 -2.269 -6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.745 -1.805 -5.297 1.00 0.00 H new ATOM 1185 N LEU A 83 1.344 -1.339 -4.573 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.033 -1.484 -5.125 1.00 0.00 C ATOM 1187 C LEU A 83 -0.604 -0.128 -5.542 1.00 0.00 C ATOM 1188 O LEU A 83 -0.722 0.783 -4.749 1.00 0.00 O ATOM 1189 CB LEU A 83 -0.851 -2.100 -3.993 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.348 -3.484 -4.418 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -0.169 -4.458 -4.457 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -2.387 -3.985 -3.410 1.00 0.00 C ATOM 0 H LEU A 83 1.395 -1.152 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.049 -2.104 -6.021 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.242 -2.181 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.697 -1.457 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.801 -3.419 -5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.522 -5.444 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.573 -4.103 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.283 -4.522 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.741 -4.971 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.933 -4.050 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.227 -3.291 -3.378 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.958 -0.008 -6.795 1.00 0.00 N ATOM 1205 CA PHE A 84 -1.530 1.264 -7.332 1.00 0.00 C ATOM 1206 C PHE A 84 -0.772 2.492 -6.828 1.00 0.00 C ATOM 1207 O PHE A 84 -0.082 3.162 -7.571 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.992 1.337 -6.857 1.00 0.00 C ATOM 1209 CG PHE A 84 -3.306 0.259 -5.842 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.670 -1.021 -6.277 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.267 0.547 -4.467 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -3.993 -2.013 -5.346 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.588 -0.450 -3.537 1.00 0.00 C ATOM 1214 CZ PHE A 84 -3.952 -1.727 -3.976 1.00 0.00 C ATOM 0 H PHE A 84 -0.873 -0.755 -7.484 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.452 1.264 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.184 2.316 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.658 1.235 -7.714 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.701 -1.243 -7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.990 1.534 -4.128 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.274 -3.000 -5.684 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.554 -0.232 -2.480 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.202 -2.494 -3.257 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.925 2.806 -5.581 1.00 0.00 N ATOM 1225 CA GLU A 85 -0.251 4.016 -5.020 1.00 0.00 C ATOM 1226 C GLU A 85 1.121 3.676 -4.437 1.00 0.00 C ATOM 1227 O GLU A 85 1.990 4.521 -4.348 1.00 0.00 O ATOM 1228 CB GLU A 85 -1.189 4.504 -3.915 1.00 0.00 C ATOM 1229 CG GLU A 85 -1.472 3.359 -2.940 1.00 0.00 C ATOM 1230 CD GLU A 85 -2.966 3.319 -2.620 1.00 0.00 C ATOM 1231 OE1 GLU A 85 -3.754 3.469 -3.540 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -3.300 3.139 -1.459 1.00 0.00 O ATOM 0 H GLU A 85 -1.490 2.279 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.075 4.768 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.738 5.343 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.122 4.865 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.157 2.411 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.897 3.496 -2.024 1.00 0.00 H new ATOM 1239 N GLY A 86 1.325 2.460 -4.027 1.00 0.00 N ATOM 1240 CA GLY A 86 2.641 2.092 -3.439 1.00 0.00 C ATOM 1241 C GLY A 86 2.504 2.042 -1.921 1.00 0.00 C ATOM 1242 O GLY A 86 3.249 1.365 -1.243 1.00 0.00 O ATOM 0 H GLY A 86 0.641 1.705 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.968 1.125 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.400 2.820 -3.726 1.00 0.00 H new ATOM 1246 N VAL A 87 1.541 2.743 -1.385 1.00 0.00 N ATOM 1247 CA VAL A 87 1.336 2.722 0.091 1.00 0.00 C ATOM 1248 C VAL A 87 1.475 1.290 0.595 1.00 0.00 C ATOM 1249 O VAL A 87 1.762 1.042 1.749 1.00 0.00 O ATOM 1250 CB VAL A 87 -0.093 3.208 0.295 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -0.444 3.163 1.783 1.00 0.00 C ATOM 1252 CG2 VAL A 87 -0.227 4.641 -0.222 1.00 0.00 C ATOM 0 H VAL A 87 0.888 3.329 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 87 2.058 3.339 0.626 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.776 2.561 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.467 3.511 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.355 2.139 2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.239 3.806 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -1.250 4.987 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.457 5.290 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.016 4.669 -1.284 1.00 0.00 H new ATOM 1262 N PHE A 88 1.267 0.347 -0.276 1.00 0.00 N ATOM 1263 CA PHE A 88 1.379 -1.078 0.117 1.00 0.00 C ATOM 1264 C PHE A 88 1.965 -1.881 -1.046 1.00 0.00 C ATOM 1265 O PHE A 88 1.325 -2.073 -2.058 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.055 -1.511 0.406 1.00 0.00 C ATOM 1267 CG PHE A 88 -0.036 -2.745 1.269 1.00 0.00 C ATOM 1268 CD1 PHE A 88 0.751 -3.840 0.899 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -0.804 -2.795 2.436 1.00 0.00 C ATOM 1270 CE1 PHE A 88 0.772 -4.990 1.698 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -0.785 -3.944 3.237 1.00 0.00 C ATOM 1272 CZ PHE A 88 0.002 -5.040 2.868 1.00 0.00 C ATOM 0 H PHE A 88 1.022 0.506 -1.253 1.00 0.00 H new ATOM 0 HA PHE A 88 2.030 -1.235 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.595 -0.709 0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.581 -1.713 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.343 -3.799 -0.003 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.412 -1.948 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.380 -5.836 1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.378 -3.984 4.139 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.016 -5.926 3.486 1.00 0.00 H new ATOM 1282 N CYS A 89 3.174 -2.343 -0.921 1.00 0.00 N ATOM 1283 CA CYS A 89 3.782 -3.119 -2.036 1.00 0.00 C ATOM 1284 C CYS A 89 3.895 -4.598 -1.658 1.00 0.00 C ATOM 1285 O CYS A 89 4.351 -4.942 -0.587 1.00 0.00 O ATOM 1286 CB CYS A 89 5.165 -2.506 -2.240 1.00 0.00 C ATOM 1287 SG CYS A 89 6.152 -2.741 -0.744 1.00 0.00 S ATOM 0 H CYS A 89 3.766 -2.219 -0.100 1.00 0.00 H new ATOM 0 HA CYS A 89 3.181 -3.073 -2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.659 -2.972 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.074 -1.444 -2.466 1.00 0.00 H new ATOM 1292 N SER A 90 3.482 -5.474 -2.533 1.00 0.00 N ATOM 1293 CA SER A 90 3.564 -6.932 -2.226 1.00 0.00 C ATOM 1294 C SER A 90 3.685 -7.739 -3.521 1.00 0.00 C ATOM 1295 O SER A 90 4.707 -7.621 -4.176 1.00 0.00 O ATOM 1296 CB SER A 90 2.255 -7.260 -1.510 1.00 0.00 C ATOM 1297 OG SER A 90 2.013 -8.658 -1.592 1.00 0.00 O ATOM 1298 OXT SER A 90 2.753 -8.463 -3.835 1.00 0.00 O ATOM 0 H SER A 90 3.091 -5.244 -3.447 1.00 0.00 H new ATOM 0 HA SER A 90 4.434 -7.178 -1.617 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.310 -6.949 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.431 -6.709 -1.964 1.00 0.00 H new ATOM 0 HG SER A 90 1.701 -8.884 -2.493 1.00 0.00 H new TER 1304 SER A 90