USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 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 Set 1.1: A 1 THR OG1 : rot 180:sc= 0.00381 USER MOD Set 1.2: A 2 MET CE :methyl 146:sc= -0.431 (180deg=-0.687) USER MOD Single : A 1 THR N :NH3+ 145:sc= -0.129 (180deg=-1.46!) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00227 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.59) USER MOD Single : A 7 THR OG1 : rot 107:sc= 1.11 USER MOD Single : A 11 THR OG1 : rot 175:sc= 0.451 USER MOD Single : A 12 ASN : amide:sc= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 16 ASN : amide:sc= -11.6! C(o=-12!,f=-22!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 110:sc= -5.21! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.362) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0.336 (180deg=0.332) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.731 K(o=-0.73,f=0) USER MOD Single : A 54 ASN : amide:sc= -4.44 K(o=-4.4,f=-5.9!) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.247) USER MOD Single : A 65 MET CE :methyl 133:sc= -12.6! (180deg=-19.4!) USER MOD Single : A 66 THR OG1 : rot -88:sc= 0.711 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= -1.32! (180deg=-2.72!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -50:sc= 1.05 USER MOD Single : A 77 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0692) USER MOD Single : A 80 SER OG : rot -60:sc= 0.548 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.820 -3.138 -13.305 1.00 0.00 N ATOM 2 CA THR A 1 -8.301 -3.311 -13.335 1.00 0.00 C ATOM 3 C THR A 1 -8.937 -2.632 -12.119 1.00 0.00 C ATOM 4 O THR A 1 -8.276 -2.346 -11.139 1.00 0.00 O ATOM 5 CB THR A 1 -8.527 -4.822 -13.284 1.00 0.00 C ATOM 6 OG1 THR A 1 -9.921 -5.091 -13.309 1.00 0.00 O ATOM 7 CG2 THR A 1 -7.917 -5.388 -12.001 1.00 0.00 C ATOM 0 H1 THR A 1 -6.363 -3.989 -13.691 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.555 -2.312 -13.879 1.00 0.00 H new ATOM 0 H3 THR A 1 -6.507 -2.992 -12.324 1.00 0.00 H new ATOM 0 HA THR A 1 -8.750 -2.863 -14.221 1.00 0.00 H new ATOM 0 HB THR A 1 -8.051 -5.291 -14.145 1.00 0.00 H new ATOM 0 HG1 THR A 1 -10.068 -6.059 -13.278 1.00 0.00 H new ATOM 0 HG21 THR A 1 -8.079 -6.465 -11.966 1.00 0.00 H new ATOM 0 HG22 THR A 1 -6.847 -5.181 -11.985 1.00 0.00 H new ATOM 0 HG23 THR A 1 -8.390 -4.922 -11.137 1.00 0.00 H new ATOM 17 N MET A 2 -10.214 -2.369 -12.174 1.00 0.00 N ATOM 18 CA MET A 2 -10.891 -1.708 -11.021 1.00 0.00 C ATOM 19 C MET A 2 -11.615 -2.751 -10.164 1.00 0.00 C ATOM 20 O MET A 2 -12.243 -2.428 -9.177 1.00 0.00 O ATOM 21 CB MET A 2 -11.894 -0.741 -11.651 1.00 0.00 C ATOM 22 CG MET A 2 -12.913 -1.529 -12.475 1.00 0.00 C ATOM 23 SD MET A 2 -12.523 -1.363 -14.236 1.00 0.00 S ATOM 24 CE MET A 2 -12.618 -3.120 -14.655 1.00 0.00 C ATOM 0 H MET A 2 -10.818 -2.583 -12.967 1.00 0.00 H new ATOM 0 HA MET A 2 -10.186 -1.194 -10.367 1.00 0.00 H new ATOM 0 HB2 MET A 2 -12.402 -0.170 -10.874 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.374 -0.023 -12.286 1.00 0.00 H new ATOM 0 HG2 MET A 2 -12.896 -2.580 -12.185 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.920 -1.160 -12.278 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.006 -3.232 -15.667 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.624 -3.562 -14.596 1.00 0.00 H new ATOM 0 HE3 MET A 2 -13.282 -3.626 -13.954 1.00 0.00 H new ATOM 34 N SER A 3 -11.529 -3.999 -10.534 1.00 0.00 N ATOM 35 CA SER A 3 -12.212 -5.060 -9.740 1.00 0.00 C ATOM 36 C SER A 3 -11.311 -5.527 -8.593 1.00 0.00 C ATOM 37 O SER A 3 -11.408 -5.049 -7.481 1.00 0.00 O ATOM 38 CB SER A 3 -12.455 -6.199 -10.728 1.00 0.00 C ATOM 39 OG SER A 3 -12.955 -7.331 -10.028 1.00 0.00 O ATOM 0 H SER A 3 -11.016 -4.330 -11.351 1.00 0.00 H new ATOM 0 HA SER A 3 -13.139 -4.706 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.166 -5.887 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.528 -6.455 -11.241 1.00 0.00 H new ATOM 0 HG SER A 3 -13.113 -8.063 -10.660 1.00 0.00 H new ATOM 45 N SER A 4 -10.433 -6.455 -8.858 1.00 0.00 N ATOM 46 CA SER A 4 -9.526 -6.951 -7.782 1.00 0.00 C ATOM 47 C SER A 4 -10.343 -7.581 -6.650 1.00 0.00 C ATOM 48 O SER A 4 -11.038 -6.900 -5.923 1.00 0.00 O ATOM 49 CB SER A 4 -8.787 -5.710 -7.285 1.00 0.00 C ATOM 50 OG SER A 4 -7.392 -5.981 -7.244 1.00 0.00 O ATOM 0 H SER A 4 -10.304 -6.891 -9.771 1.00 0.00 H new ATOM 0 HA SER A 4 -8.839 -7.717 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.986 -4.865 -7.944 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.145 -5.432 -6.294 1.00 0.00 H new ATOM 0 HG SER A 4 -6.914 -5.187 -6.927 1.00 0.00 H new ATOM 56 N GLU A 5 -10.264 -8.874 -6.497 1.00 0.00 N ATOM 57 CA GLU A 5 -11.037 -9.545 -5.413 1.00 0.00 C ATOM 58 C GLU A 5 -10.285 -9.435 -4.082 1.00 0.00 C ATOM 59 O GLU A 5 -10.770 -9.854 -3.049 1.00 0.00 O ATOM 60 CB GLU A 5 -11.144 -11.006 -5.849 1.00 0.00 C ATOM 61 CG GLU A 5 -11.787 -11.079 -7.235 1.00 0.00 C ATOM 62 CD GLU A 5 -13.266 -11.451 -7.092 1.00 0.00 C ATOM 63 OE1 GLU A 5 -13.701 -11.641 -5.969 1.00 0.00 O ATOM 64 OE2 GLU A 5 -13.933 -11.539 -8.108 1.00 0.00 O ATOM 0 H GLU A 5 -9.698 -9.495 -7.075 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.017 -9.092 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.155 -11.463 -5.871 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.740 -11.568 -5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.690 -10.120 -7.744 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.272 -11.819 -7.848 1.00 0.00 H new ATOM 71 N HIS A 6 -9.106 -8.876 -4.100 1.00 0.00 N ATOM 72 CA HIS A 6 -8.327 -8.741 -2.837 1.00 0.00 C ATOM 73 C HIS A 6 -8.708 -7.445 -2.116 1.00 0.00 C ATOM 74 O HIS A 6 -8.051 -7.026 -1.183 1.00 0.00 O ATOM 75 CB HIS A 6 -6.863 -8.699 -3.278 1.00 0.00 C ATOM 76 CG HIS A 6 -6.373 -10.100 -3.524 1.00 0.00 C ATOM 77 ND1 HIS A 6 -6.819 -11.181 -2.781 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.475 -10.611 -4.428 1.00 0.00 C ATOM 79 CE1 HIS A 6 -6.194 -12.278 -3.247 1.00 0.00 C ATOM 80 NE2 HIS A 6 -5.363 -11.987 -4.251 1.00 0.00 N ATOM 0 H HIS A 6 -8.649 -8.507 -4.934 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.521 -9.559 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.762 -8.103 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.255 -8.219 -2.511 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.937 -10.033 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.346 -13.273 -2.856 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.773 -12.634 -4.775 1.00 0.00 H new ATOM 88 N THR A 7 -9.762 -6.805 -2.543 1.00 0.00 N ATOM 89 CA THR A 7 -10.184 -5.536 -1.883 1.00 0.00 C ATOM 90 C THR A 7 -11.083 -5.835 -0.679 1.00 0.00 C ATOM 91 O THR A 7 -11.886 -6.748 -0.704 1.00 0.00 O ATOM 92 CB THR A 7 -10.963 -4.772 -2.955 1.00 0.00 C ATOM 93 OG1 THR A 7 -10.339 -4.967 -4.218 1.00 0.00 O ATOM 94 CG2 THR A 7 -10.977 -3.282 -2.616 1.00 0.00 C ATOM 0 H THR A 7 -10.350 -7.106 -3.321 1.00 0.00 H new ATOM 0 HA THR A 7 -9.334 -4.965 -1.509 1.00 0.00 H new ATOM 0 HB THR A 7 -11.988 -5.141 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 7 -10.885 -5.572 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.533 -2.740 -3.381 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.454 -3.134 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.954 -2.908 -2.577 1.00 0.00 H new ATOM 102 N CYS A 8 -10.957 -5.073 0.374 1.00 0.00 N ATOM 103 CA CYS A 8 -11.806 -5.313 1.578 1.00 0.00 C ATOM 104 C CYS A 8 -13.266 -5.514 1.169 1.00 0.00 C ATOM 105 O CYS A 8 -13.617 -5.416 0.009 1.00 0.00 O ATOM 106 CB CYS A 8 -11.662 -4.054 2.441 1.00 0.00 C ATOM 107 SG CYS A 8 -11.636 -2.579 1.393 1.00 0.00 S ATOM 0 H CYS A 8 -10.303 -4.294 0.453 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.498 -6.209 2.117 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.489 -3.992 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.745 -4.109 3.027 1.00 0.00 H new ATOM 112 N ILE A 9 -14.121 -5.789 2.114 1.00 0.00 N ATOM 113 CA ILE A 9 -15.559 -5.990 1.785 1.00 0.00 C ATOM 114 C ILE A 9 -16.248 -4.634 1.631 1.00 0.00 C ATOM 115 O ILE A 9 -17.382 -4.451 2.032 1.00 0.00 O ATOM 116 CB ILE A 9 -16.136 -6.756 2.975 1.00 0.00 C ATOM 117 CG1 ILE A 9 -17.558 -7.217 2.645 1.00 0.00 C ATOM 118 CG2 ILE A 9 -16.168 -5.846 4.203 1.00 0.00 C ATOM 119 CD1 ILE A 9 -17.521 -8.184 1.459 1.00 0.00 C ATOM 0 H ILE A 9 -13.885 -5.883 3.102 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.702 -6.532 0.850 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.511 -7.624 3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.003 -7.705 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.184 -6.357 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.580 -6.393 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.156 -5.518 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.792 -4.976 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.534 -8.512 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.093 -7.680 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.910 -9.050 1.714 1.00 0.00 H new ATOM 131 N ASP A 10 -15.562 -3.681 1.059 1.00 0.00 N ATOM 132 CA ASP A 10 -16.158 -2.323 0.875 1.00 0.00 C ATOM 133 C ASP A 10 -16.114 -1.550 2.194 1.00 0.00 C ATOM 134 O ASP A 10 -17.084 -0.945 2.606 1.00 0.00 O ATOM 135 CB ASP A 10 -17.605 -2.564 0.437 1.00 0.00 C ATOM 136 CG ASP A 10 -17.945 -1.641 -0.734 1.00 0.00 C ATOM 137 OD1 ASP A 10 -17.238 -1.691 -1.727 1.00 0.00 O ATOM 138 OD2 ASP A 10 -18.907 -0.898 -0.617 1.00 0.00 O ATOM 0 H ASP A 10 -14.609 -3.784 0.709 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.613 -1.733 0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.739 -3.605 0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.284 -2.378 1.269 1.00 0.00 H new ATOM 143 N THR A 11 -14.992 -1.566 2.858 1.00 0.00 N ATOM 144 CA THR A 11 -14.876 -0.833 4.151 1.00 0.00 C ATOM 145 C THR A 11 -15.069 0.666 3.919 1.00 0.00 C ATOM 146 O THR A 11 -15.462 1.094 2.852 1.00 0.00 O ATOM 147 CB THR A 11 -13.455 -1.117 4.638 1.00 0.00 C ATOM 148 OG1 THR A 11 -13.335 -0.721 5.998 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.457 -0.333 3.784 1.00 0.00 C ATOM 0 H THR A 11 -14.148 -2.056 2.561 1.00 0.00 H new ATOM 0 HA THR A 11 -15.627 -1.147 4.876 1.00 0.00 H new ATOM 0 HB THR A 11 -13.245 -2.183 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.450 -0.973 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.444 -0.535 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.551 -0.638 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.664 0.734 3.870 1.00 0.00 H new ATOM 157 N ASN A 12 -14.784 1.470 4.906 1.00 0.00 N ATOM 158 CA ASN A 12 -14.941 2.940 4.727 1.00 0.00 C ATOM 159 C ASN A 12 -13.796 3.470 3.864 1.00 0.00 C ATOM 160 O ASN A 12 -12.654 3.502 4.279 1.00 0.00 O ATOM 161 CB ASN A 12 -14.869 3.523 6.138 1.00 0.00 C ATOM 162 CG ASN A 12 -15.912 4.632 6.286 1.00 0.00 C ATOM 163 OD1 ASN A 12 -15.580 5.758 6.599 1.00 0.00 O ATOM 164 ND2 ASN A 12 -17.170 4.359 6.070 1.00 0.00 N ATOM 0 H ASN A 12 -14.451 1.174 5.824 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.874 3.208 4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -15.047 2.741 6.876 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.872 3.919 6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.874 5.091 6.164 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -17.449 3.414 5.807 1.00 0.00 H new ATOM 171 N VAL A 13 -14.091 3.879 2.665 1.00 0.00 N ATOM 172 CA VAL A 13 -13.019 4.397 1.772 1.00 0.00 C ATOM 173 C VAL A 13 -13.526 5.607 0.980 1.00 0.00 C ATOM 174 O VAL A 13 -14.311 5.466 0.063 1.00 0.00 O ATOM 175 CB VAL A 13 -12.695 3.235 0.833 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.614 3.665 -0.161 1.00 0.00 C ATOM 177 CG2 VAL A 13 -12.190 2.046 1.654 1.00 0.00 C ATOM 0 H VAL A 13 -15.029 3.878 2.263 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.142 4.730 2.327 1.00 0.00 H new ATOM 0 HB VAL A 13 -13.593 2.947 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.384 2.836 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.973 4.513 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.714 3.953 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.958 1.216 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.292 2.336 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.960 1.739 2.361 1.00 0.00 H new ATOM 187 N PRO A 14 -13.055 6.761 1.367 1.00 0.00 N ATOM 188 CA PRO A 14 -13.462 8.016 0.688 1.00 0.00 C ATOM 189 C PRO A 14 -13.133 7.945 -0.806 1.00 0.00 C ATOM 190 O PRO A 14 -12.277 7.194 -1.228 1.00 0.00 O ATOM 191 CB PRO A 14 -12.632 9.099 1.377 1.00 0.00 C ATOM 192 CG PRO A 14 -12.156 8.492 2.660 1.00 0.00 C ATOM 193 CD PRO A 14 -12.111 7.000 2.460 1.00 0.00 C ATOM 0 HA PRO A 14 -14.533 8.207 0.758 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.792 9.404 0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.230 9.991 1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.170 8.874 2.923 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.827 8.750 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.107 6.662 2.202 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.404 6.467 3.364 1.00 0.00 H new ATOM 201 N ASP A 15 -13.809 8.720 -1.610 1.00 0.00 N ATOM 202 CA ASP A 15 -13.536 8.695 -3.076 1.00 0.00 C ATOM 203 C ASP A 15 -12.158 9.289 -3.370 1.00 0.00 C ATOM 204 O ASP A 15 -12.026 10.255 -4.096 1.00 0.00 O ATOM 205 CB ASP A 15 -14.637 9.552 -3.699 1.00 0.00 C ATOM 206 CG ASP A 15 -15.992 9.147 -3.117 1.00 0.00 C ATOM 207 OD1 ASP A 15 -16.382 8.008 -3.316 1.00 0.00 O ATOM 208 OD2 ASP A 15 -16.616 9.980 -2.482 1.00 0.00 O ATOM 0 H ASP A 15 -14.538 9.369 -1.315 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.533 7.682 -3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.446 10.607 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.642 9.425 -4.782 1.00 0.00 H new ATOM 213 N ASN A 16 -11.131 8.715 -2.812 1.00 0.00 N ATOM 214 CA ASN A 16 -9.755 9.234 -3.051 1.00 0.00 C ATOM 215 C ASN A 16 -8.745 8.383 -2.281 1.00 0.00 C ATOM 216 O ASN A 16 -7.704 8.854 -1.868 1.00 0.00 O ATOM 217 CB ASN A 16 -9.771 10.668 -2.521 1.00 0.00 C ATOM 218 CG ASN A 16 -10.238 10.667 -1.064 1.00 0.00 C ATOM 219 OD1 ASN A 16 -10.050 9.700 -0.354 1.00 0.00 O ATOM 220 ND2 ASN A 16 -10.846 11.719 -0.586 1.00 0.00 N ATOM 0 H ASN A 16 -11.185 7.903 -2.197 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.471 9.200 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.775 11.106 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.436 11.284 -3.127 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.163 11.728 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.004 12.531 -1.182 1.00 0.00 H new ATOM 227 N ALA A 17 -9.054 7.131 -2.079 1.00 0.00 N ATOM 228 CA ALA A 17 -8.123 6.240 -1.330 1.00 0.00 C ATOM 229 C ALA A 17 -8.197 4.817 -1.881 1.00 0.00 C ATOM 230 O ALA A 17 -9.084 4.479 -2.638 1.00 0.00 O ATOM 231 CB ALA A 17 -8.616 6.276 0.117 1.00 0.00 C ATOM 0 H ALA A 17 -9.913 6.686 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.086 6.563 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.979 5.642 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.578 7.300 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.642 5.912 0.161 1.00 0.00 H new ATOM 237 N ALA A 18 -7.275 3.977 -1.499 1.00 0.00 N ATOM 238 CA ALA A 18 -7.298 2.574 -1.996 1.00 0.00 C ATOM 239 C ALA A 18 -7.314 1.608 -0.810 1.00 0.00 C ATOM 240 O ALA A 18 -6.565 1.757 0.134 1.00 0.00 O ATOM 241 CB ALA A 18 -6.008 2.416 -2.803 1.00 0.00 C ATOM 0 H ALA A 18 -6.508 4.202 -0.865 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.179 2.358 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.951 1.404 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.003 3.133 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.150 2.599 -2.156 1.00 0.00 H new ATOM 247 N CYS A 19 -8.169 0.625 -0.849 1.00 0.00 N ATOM 248 CA CYS A 19 -8.240 -0.344 0.279 1.00 0.00 C ATOM 249 C CYS A 19 -7.803 -1.732 -0.188 1.00 0.00 C ATOM 250 O CYS A 19 -8.140 -2.169 -1.271 1.00 0.00 O ATOM 251 CB CYS A 19 -9.710 -0.353 0.696 1.00 0.00 C ATOM 252 SG CYS A 19 -9.969 -1.601 1.979 1.00 0.00 S ATOM 0 H CYS A 19 -8.822 0.451 -1.613 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.584 -0.069 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.999 0.630 1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.342 -0.567 -0.166 1.00 0.00 H new ATOM 257 N TYR A 20 -7.048 -2.428 0.616 1.00 0.00 N ATOM 258 CA TYR A 20 -6.586 -3.787 0.208 1.00 0.00 C ATOM 259 C TYR A 20 -6.930 -4.823 1.283 1.00 0.00 C ATOM 260 O TYR A 20 -6.843 -4.560 2.465 1.00 0.00 O ATOM 261 CB TYR A 20 -5.071 -3.658 0.055 1.00 0.00 C ATOM 262 CG TYR A 20 -4.538 -4.864 -0.681 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.499 -6.112 -0.045 1.00 0.00 C ATOM 264 CD2 TYR A 20 -4.082 -4.736 -1.999 1.00 0.00 C ATOM 265 CE1 TYR A 20 -4.004 -7.229 -0.727 1.00 0.00 C ATOM 266 CE2 TYR A 20 -3.589 -5.854 -2.680 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.549 -7.101 -2.045 1.00 0.00 C ATOM 268 OH TYR A 20 -3.062 -8.204 -2.716 1.00 0.00 O ATOM 0 H TYR A 20 -6.731 -2.117 1.534 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.066 -4.122 -0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.826 -2.747 -0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.601 -3.579 1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.851 -6.212 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.111 -3.774 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.973 -8.191 -0.236 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.239 -5.755 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.789 -7.943 -3.620 1.00 0.00 H new ATOM 278 N ARG A 21 -7.313 -6.003 0.873 1.00 0.00 N ATOM 279 CA ARG A 21 -7.657 -7.067 1.860 1.00 0.00 C ATOM 280 C ARG A 21 -6.711 -8.258 1.694 1.00 0.00 C ATOM 281 O ARG A 21 -6.394 -8.661 0.592 1.00 0.00 O ATOM 282 CB ARG A 21 -9.091 -7.472 1.524 1.00 0.00 C ATOM 283 CG ARG A 21 -9.406 -8.827 2.163 1.00 0.00 C ATOM 284 CD ARG A 21 -10.886 -9.157 1.957 1.00 0.00 C ATOM 285 NE ARG A 21 -11.420 -9.401 3.327 1.00 0.00 N ATOM 286 CZ ARG A 21 -12.601 -9.931 3.482 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.319 -10.249 2.439 1.00 0.00 N ATOM 288 NH2 ARG A 21 -13.067 -10.147 4.683 1.00 0.00 N ATOM 0 H ARG A 21 -7.403 -6.276 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.564 -6.723 2.890 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.787 -6.717 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.219 -7.530 0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.784 -9.604 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.173 -8.802 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.410 -8.335 1.470 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.010 -10.035 1.323 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.861 -9.153 4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.956 -10.083 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.243 -10.664 2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.507 -9.901 5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.991 -10.562 4.805 1.00 0.00 H new ATOM 302 N TYR A 22 -6.256 -8.828 2.776 1.00 0.00 N ATOM 303 CA TYR A 22 -5.330 -9.993 2.669 1.00 0.00 C ATOM 304 C TYR A 22 -6.124 -11.291 2.507 1.00 0.00 C ATOM 305 O TYR A 22 -7.337 -11.286 2.439 1.00 0.00 O ATOM 306 CB TYR A 22 -4.548 -10.001 3.983 1.00 0.00 C ATOM 307 CG TYR A 22 -3.166 -10.559 3.742 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.193 -9.771 3.115 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.859 -11.864 4.144 1.00 0.00 C ATOM 310 CE1 TYR A 22 -0.912 -10.289 2.892 1.00 0.00 C ATOM 311 CE2 TYR A 22 -1.577 -12.382 3.920 1.00 0.00 C ATOM 312 CZ TYR A 22 -0.603 -11.594 3.294 1.00 0.00 C ATOM 313 OH TYR A 22 0.659 -12.104 3.073 1.00 0.00 O ATOM 0 H TYR A 22 -6.484 -8.539 3.727 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.671 -9.917 1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.479 -8.990 4.384 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.071 -10.603 4.726 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.431 -8.765 2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.610 -12.471 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.161 -9.681 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.340 -13.389 4.230 1.00 0.00 H new ATOM 0 HH TYR A 22 0.705 -13.022 3.414 1.00 0.00 H new ATOM 323 N LEU A 23 -5.445 -12.405 2.441 1.00 0.00 N ATOM 324 CA LEU A 23 -6.154 -13.708 2.280 1.00 0.00 C ATOM 325 C LEU A 23 -6.831 -14.116 3.590 1.00 0.00 C ATOM 326 O LEU A 23 -7.785 -14.870 3.597 1.00 0.00 O ATOM 327 CB LEU A 23 -5.059 -14.709 1.906 1.00 0.00 C ATOM 328 CG LEU A 23 -5.171 -15.055 0.421 1.00 0.00 C ATOM 329 CD1 LEU A 23 -4.525 -13.947 -0.413 1.00 0.00 C ATOM 330 CD2 LEU A 23 -4.453 -16.379 0.152 1.00 0.00 C ATOM 0 H LEU A 23 -4.428 -12.469 2.492 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.939 -13.658 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.077 -14.287 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.155 -15.612 2.509 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.222 -15.148 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.605 -14.195 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.035 -13.003 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.474 -13.853 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.532 -16.627 -0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.402 -16.285 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.913 -17.169 0.745 1.00 0.00 H new ATOM 342 N ASP A 24 -6.345 -13.633 4.700 1.00 0.00 N ATOM 343 CA ASP A 24 -6.961 -14.004 6.008 1.00 0.00 C ATOM 344 C ASP A 24 -8.270 -13.235 6.226 1.00 0.00 C ATOM 345 O ASP A 24 -8.849 -13.270 7.292 1.00 0.00 O ATOM 346 CB ASP A 24 -5.925 -13.603 7.060 1.00 0.00 C ATOM 347 CG ASP A 24 -5.276 -14.860 7.641 1.00 0.00 C ATOM 348 OD1 ASP A 24 -5.958 -15.867 7.733 1.00 0.00 O ATOM 349 OD2 ASP A 24 -4.107 -14.795 7.984 1.00 0.00 O ATOM 0 H ASP A 24 -5.549 -12.998 4.759 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.209 -15.064 6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.165 -12.962 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.401 -13.027 7.853 1.00 0.00 H new ATOM 354 N GLY A 25 -8.741 -12.545 5.224 1.00 0.00 N ATOM 355 CA GLY A 25 -10.013 -11.782 5.379 1.00 0.00 C ATOM 356 C GLY A 25 -9.733 -10.453 6.080 1.00 0.00 C ATOM 357 O GLY A 25 -10.634 -9.692 6.369 1.00 0.00 O ATOM 0 H GLY A 25 -8.302 -12.476 4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.462 -11.602 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.730 -12.365 5.957 1.00 0.00 H new ATOM 361 N THR A 26 -8.490 -10.163 6.352 1.00 0.00 N ATOM 362 CA THR A 26 -8.158 -8.878 7.032 1.00 0.00 C ATOM 363 C THR A 26 -8.679 -7.698 6.208 1.00 0.00 C ATOM 364 O THR A 26 -9.204 -7.868 5.127 1.00 0.00 O ATOM 365 CB THR A 26 -6.631 -8.849 7.106 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.089 -9.162 5.828 1.00 0.00 O ATOM 367 CG2 THR A 26 -6.147 -9.876 8.130 1.00 0.00 C ATOM 0 H THR A 26 -7.691 -10.759 6.134 1.00 0.00 H new ATOM 0 HA THR A 26 -8.613 -8.803 8.020 1.00 0.00 H new ATOM 0 HB THR A 26 -6.302 -7.855 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.680 -8.360 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.058 -9.854 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.561 -9.636 9.109 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.476 -10.871 7.831 1.00 0.00 H new ATOM 375 N GLU A 27 -8.540 -6.502 6.712 1.00 0.00 N ATOM 376 CA GLU A 27 -9.032 -5.315 5.957 1.00 0.00 C ATOM 377 C GLU A 27 -8.164 -4.091 6.269 1.00 0.00 C ATOM 378 O GLU A 27 -7.814 -3.841 7.405 1.00 0.00 O ATOM 379 CB GLU A 27 -10.464 -5.107 6.449 1.00 0.00 C ATOM 380 CG GLU A 27 -11.407 -5.008 5.247 1.00 0.00 C ATOM 381 CD GLU A 27 -12.647 -5.867 5.500 1.00 0.00 C ATOM 382 OE1 GLU A 27 -12.748 -6.424 6.579 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.476 -5.952 4.607 1.00 0.00 O ATOM 0 H GLU A 27 -8.108 -6.296 7.613 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.990 -5.460 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.763 -5.935 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.526 -4.199 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.698 -3.970 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.898 -5.343 4.343 1.00 0.00 H new ATOM 390 N GLU A 28 -7.811 -3.328 5.269 1.00 0.00 N ATOM 391 CA GLU A 28 -6.963 -2.123 5.512 1.00 0.00 C ATOM 392 C GLU A 28 -7.329 -1.003 4.530 1.00 0.00 C ATOM 393 O GLU A 28 -7.638 -1.247 3.382 1.00 0.00 O ATOM 394 CB GLU A 28 -5.526 -2.599 5.272 1.00 0.00 C ATOM 395 CG GLU A 28 -4.643 -1.406 4.900 1.00 0.00 C ATOM 396 CD GLU A 28 -4.571 -1.286 3.377 1.00 0.00 C ATOM 397 OE1 GLU A 28 -5.451 -0.661 2.809 1.00 0.00 O ATOM 398 OE2 GLU A 28 -3.638 -1.823 2.803 1.00 0.00 O ATOM 0 H GLU A 28 -8.072 -3.486 4.296 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.100 -1.718 6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.139 -3.085 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.507 -3.341 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.049 -0.490 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.643 -1.536 5.314 1.00 0.00 H new ATOM 405 N TRP A 29 -7.284 0.225 4.974 1.00 0.00 N ATOM 406 CA TRP A 29 -7.618 1.363 4.066 1.00 0.00 C ATOM 407 C TRP A 29 -6.369 2.214 3.825 1.00 0.00 C ATOM 408 O TRP A 29 -5.716 2.646 4.753 1.00 0.00 O ATOM 409 CB TRP A 29 -8.692 2.191 4.785 1.00 0.00 C ATOM 410 CG TRP A 29 -8.934 1.653 6.160 1.00 0.00 C ATOM 411 CD1 TRP A 29 -8.735 2.337 7.310 1.00 0.00 C ATOM 412 CD2 TRP A 29 -9.419 0.336 6.546 1.00 0.00 C ATOM 413 NE1 TRP A 29 -9.068 1.522 8.377 1.00 0.00 N ATOM 414 CE2 TRP A 29 -9.494 0.278 7.958 1.00 0.00 C ATOM 415 CE3 TRP A 29 -9.796 -0.802 5.814 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -9.930 -0.870 8.620 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -10.234 -1.959 6.476 1.00 0.00 C ATOM 418 CH2 TRP A 29 -10.302 -1.993 7.876 1.00 0.00 C ATOM 0 H TRP A 29 -7.031 0.490 5.926 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.976 1.012 3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.377 3.233 4.846 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -9.619 2.172 4.212 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.375 3.353 7.383 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.006 1.806 9.355 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.748 -0.786 4.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -9.980 -0.891 9.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -10.521 -2.829 5.904 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -10.642 -2.886 8.379 1.00 0.00 H new ATOM 429 N ARG A 30 -6.029 2.453 2.588 1.00 0.00 N ATOM 430 CA ARG A 30 -4.816 3.271 2.302 1.00 0.00 C ATOM 431 C ARG A 30 -5.193 4.559 1.562 1.00 0.00 C ATOM 432 O ARG A 30 -6.248 4.662 0.970 1.00 0.00 O ATOM 433 CB ARG A 30 -3.942 2.380 1.422 1.00 0.00 C ATOM 434 CG ARG A 30 -3.461 1.178 2.237 1.00 0.00 C ATOM 435 CD ARG A 30 -2.093 1.489 2.848 1.00 0.00 C ATOM 436 NE ARG A 30 -1.866 0.409 3.849 1.00 0.00 N ATOM 437 CZ ARG A 30 -0.744 0.361 4.515 1.00 0.00 C ATOM 438 NH1 ARG A 30 0.183 1.257 4.304 1.00 0.00 N ATOM 439 NH2 ARG A 30 -0.547 -0.586 5.391 1.00 0.00 N ATOM 0 H ARG A 30 -6.535 2.120 1.767 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.304 3.578 3.214 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.507 2.042 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.088 2.945 1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.179 0.948 3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.394 0.296 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.312 1.493 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.085 2.472 3.319 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.587 -0.293 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.031 1.996 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.059 1.217 4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.269 -1.288 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.329 -0.625 5.912 1.00 0.00 H new ATOM 453 N CYS A 31 -4.331 5.539 1.594 1.00 0.00 N ATOM 454 CA CYS A 31 -4.627 6.824 0.897 1.00 0.00 C ATOM 455 C CYS A 31 -3.750 6.950 -0.354 1.00 0.00 C ATOM 456 O CYS A 31 -2.566 6.682 -0.324 1.00 0.00 O ATOM 457 CB CYS A 31 -4.276 7.911 1.915 1.00 0.00 C ATOM 458 SG CYS A 31 -5.473 9.268 1.813 1.00 0.00 S ATOM 0 H CYS A 31 -3.432 5.505 2.074 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.664 6.895 0.569 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.275 7.491 2.921 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.271 8.287 1.725 1.00 0.00 H new ATOM 463 N LEU A 32 -4.326 7.350 -1.455 1.00 0.00 N ATOM 464 CA LEU A 32 -3.533 7.487 -2.711 1.00 0.00 C ATOM 465 C LEU A 32 -2.173 8.133 -2.422 1.00 0.00 C ATOM 466 O LEU A 32 -1.946 8.679 -1.361 1.00 0.00 O ATOM 467 CB LEU A 32 -4.373 8.389 -3.613 1.00 0.00 C ATOM 468 CG LEU A 32 -5.391 7.539 -4.375 1.00 0.00 C ATOM 469 CD1 LEU A 32 -6.424 8.451 -5.040 1.00 0.00 C ATOM 470 CD2 LEU A 32 -4.669 6.721 -5.448 1.00 0.00 C ATOM 0 H LEU A 32 -5.314 7.589 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.329 6.521 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.886 9.143 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.730 8.921 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.895 6.867 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.149 7.844 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.938 9.035 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.921 9.124 -5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.393 6.115 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.166 7.394 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.933 6.070 -4.976 1.00 0.00 H new ATOM 482 N LEU A 33 -1.267 8.071 -3.362 1.00 0.00 N ATOM 483 CA LEU A 33 0.079 8.679 -3.148 1.00 0.00 C ATOM 484 C LEU A 33 -0.046 10.193 -2.958 1.00 0.00 C ATOM 485 O LEU A 33 0.565 10.770 -2.081 1.00 0.00 O ATOM 486 CB LEU A 33 0.861 8.363 -4.423 1.00 0.00 C ATOM 487 CG LEU A 33 2.358 8.321 -4.107 1.00 0.00 C ATOM 488 CD1 LEU A 33 3.144 8.053 -5.390 1.00 0.00 C ATOM 489 CD2 LEU A 33 2.790 9.666 -3.518 1.00 0.00 C ATOM 0 H LEU A 33 -1.401 7.625 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 33 0.571 8.288 -2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.538 7.406 -4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.660 9.119 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 33 2.555 7.526 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.210 8.023 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.836 7.097 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.948 8.848 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.856 9.639 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.592 10.459 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.230 9.859 -2.603 1.00 0.00 H new ATOM 501 N THR A 34 -0.835 10.840 -3.772 1.00 0.00 N ATOM 502 CA THR A 34 -1.001 12.315 -3.634 1.00 0.00 C ATOM 503 C THR A 34 -2.064 12.628 -2.578 1.00 0.00 C ATOM 504 O THR A 34 -2.672 13.680 -2.586 1.00 0.00 O ATOM 505 CB THR A 34 -1.458 12.793 -5.013 1.00 0.00 C ATOM 506 OG1 THR A 34 -0.633 12.207 -6.011 1.00 0.00 O ATOM 507 CG2 THR A 34 -1.350 14.316 -5.088 1.00 0.00 C ATOM 0 H THR A 34 -1.372 10.411 -4.526 1.00 0.00 H new ATOM 0 HA THR A 34 -0.082 12.807 -3.317 1.00 0.00 H new ATOM 0 HB THR A 34 -2.494 12.497 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.925 12.510 -6.896 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.676 14.656 -6.071 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.982 14.764 -4.321 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.315 14.616 -4.925 1.00 0.00 H new ATOM 515 N PHE A 35 -2.292 11.722 -1.668 1.00 0.00 N ATOM 516 CA PHE A 35 -3.315 11.961 -0.612 1.00 0.00 C ATOM 517 C PHE A 35 -2.750 11.585 0.761 1.00 0.00 C ATOM 518 O PHE A 35 -1.857 10.769 0.872 1.00 0.00 O ATOM 519 CB PHE A 35 -4.480 11.043 -0.983 1.00 0.00 C ATOM 520 CG PHE A 35 -5.749 11.852 -1.088 1.00 0.00 C ATOM 521 CD1 PHE A 35 -5.839 12.895 -2.018 1.00 0.00 C ATOM 522 CD2 PHE A 35 -6.842 11.555 -0.263 1.00 0.00 C ATOM 523 CE1 PHE A 35 -7.019 13.641 -2.122 1.00 0.00 C ATOM 524 CE2 PHE A 35 -8.021 12.301 -0.367 1.00 0.00 C ATOM 525 CZ PHE A 35 -8.110 13.345 -1.297 1.00 0.00 C ATOM 0 H PHE A 35 -1.812 10.824 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.620 13.006 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.276 10.544 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.595 10.263 -0.230 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.998 13.124 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.774 10.750 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.087 14.445 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.863 12.072 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.020 13.921 -1.377 1.00 0.00 H new ATOM 535 N LYS A 36 -3.265 12.170 1.808 1.00 0.00 N ATOM 536 CA LYS A 36 -2.760 11.840 3.170 1.00 0.00 C ATOM 537 C LYS A 36 -3.920 11.399 4.062 1.00 0.00 C ATOM 538 O LYS A 36 -4.922 12.078 4.173 1.00 0.00 O ATOM 539 CB LYS A 36 -2.145 13.139 3.692 1.00 0.00 C ATOM 540 CG LYS A 36 -0.815 13.398 2.980 1.00 0.00 C ATOM 541 CD LYS A 36 0.282 13.638 4.018 1.00 0.00 C ATOM 542 CE LYS A 36 0.893 12.299 4.434 1.00 0.00 C ATOM 543 NZ LYS A 36 0.682 12.219 5.907 1.00 0.00 N ATOM 0 H LYS A 36 -4.014 12.862 1.779 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.036 11.025 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.828 13.971 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.986 13.072 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.555 12.546 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.905 14.263 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.053 14.289 3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.132 14.147 4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.409 11.468 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.953 12.254 4.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.652 11.222 6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.463 12.700 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.217 12.679 6.154 1.00 0.00 H new ATOM 557 N GLU A 37 -3.802 10.264 4.694 1.00 0.00 N ATOM 558 CA GLU A 37 -4.910 9.789 5.568 1.00 0.00 C ATOM 559 C GLU A 37 -4.612 10.094 7.036 1.00 0.00 C ATOM 560 O GLU A 37 -3.628 9.647 7.589 1.00 0.00 O ATOM 561 CB GLU A 37 -4.982 8.280 5.338 1.00 0.00 C ATOM 562 CG GLU A 37 -6.319 7.938 4.681 1.00 0.00 C ATOM 563 CD GLU A 37 -6.212 6.582 3.978 1.00 0.00 C ATOM 564 OE1 GLU A 37 -5.157 5.976 4.061 1.00 0.00 O ATOM 565 OE2 GLU A 37 -7.189 6.171 3.374 1.00 0.00 O ATOM 0 H GLU A 37 -2.991 9.648 4.643 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.852 10.284 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.157 7.957 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.882 7.750 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.108 7.909 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.591 8.711 3.963 1.00 0.00 H new ATOM 572 N GLU A 38 -5.464 10.847 7.675 1.00 0.00 N ATOM 573 CA GLU A 38 -5.240 11.176 9.111 1.00 0.00 C ATOM 574 C GLU A 38 -6.573 11.187 9.864 1.00 0.00 C ATOM 575 O GLU A 38 -7.322 12.142 9.805 1.00 0.00 O ATOM 576 CB GLU A 38 -4.615 12.571 9.107 1.00 0.00 C ATOM 577 CG GLU A 38 -4.468 13.069 10.546 1.00 0.00 C ATOM 578 CD GLU A 38 -3.579 14.314 10.568 1.00 0.00 C ATOM 579 OE1 GLU A 38 -2.498 14.255 10.006 1.00 0.00 O ATOM 580 OE2 GLU A 38 -3.993 15.303 11.148 1.00 0.00 O ATOM 0 H GLU A 38 -6.307 11.249 7.264 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.600 10.446 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.641 12.543 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.238 13.259 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.448 13.302 10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.033 12.288 11.170 1.00 0.00 H new ATOM 587 N GLY A 39 -6.874 10.134 10.575 1.00 0.00 N ATOM 588 CA GLY A 39 -8.156 10.090 11.334 1.00 0.00 C ATOM 589 C GLY A 39 -9.143 9.146 10.643 1.00 0.00 C ATOM 590 O GLY A 39 -10.327 9.171 10.911 1.00 0.00 O ATOM 0 H GLY A 39 -6.288 9.304 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.972 9.754 12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.583 11.091 11.400 1.00 0.00 H new ATOM 594 N GLY A 40 -8.670 8.311 9.757 1.00 0.00 N ATOM 595 CA GLY A 40 -9.595 7.369 9.061 1.00 0.00 C ATOM 596 C GLY A 40 -10.167 8.042 7.810 1.00 0.00 C ATOM 597 O GLY A 40 -11.120 7.572 7.221 1.00 0.00 O ATOM 0 H GLY A 40 -7.689 8.240 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.063 6.458 8.786 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.404 7.076 9.731 1.00 0.00 H new ATOM 601 N LYS A 41 -9.592 9.138 7.401 1.00 0.00 N ATOM 602 CA LYS A 41 -10.093 9.844 6.194 1.00 0.00 C ATOM 603 C LYS A 41 -8.932 10.097 5.235 1.00 0.00 C ATOM 604 O LYS A 41 -7.782 10.030 5.610 1.00 0.00 O ATOM 605 CB LYS A 41 -10.663 11.166 6.712 1.00 0.00 C ATOM 606 CG LYS A 41 -11.740 10.881 7.761 1.00 0.00 C ATOM 607 CD LYS A 41 -13.102 10.756 7.074 1.00 0.00 C ATOM 608 CE LYS A 41 -14.048 9.941 7.959 1.00 0.00 C ATOM 609 NZ LYS A 41 -14.072 8.584 7.346 1.00 0.00 N ATOM 0 H LYS A 41 -8.791 9.576 7.856 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.844 9.270 5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.868 11.772 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.086 11.740 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.506 9.962 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.765 11.683 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.521 11.746 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.989 10.273 6.103 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.692 9.903 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.045 10.382 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.660 7.952 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.469 8.643 6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.104 8.208 7.297 1.00 0.00 H new ATOM 623 N CYS A 42 -9.225 10.379 4.002 1.00 0.00 N ATOM 624 CA CYS A 42 -8.141 10.628 3.015 1.00 0.00 C ATOM 625 C CYS A 42 -8.165 12.094 2.574 1.00 0.00 C ATOM 626 O CYS A 42 -9.189 12.615 2.177 1.00 0.00 O ATOM 627 CB CYS A 42 -8.486 9.703 1.851 1.00 0.00 C ATOM 628 SG CYS A 42 -7.276 8.356 1.735 1.00 0.00 S ATOM 0 H CYS A 42 -10.173 10.449 3.631 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.144 10.439 3.412 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.486 9.292 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.500 10.269 0.920 1.00 0.00 H new ATOM 633 N VAL A 43 -7.049 12.768 2.646 1.00 0.00 N ATOM 634 CA VAL A 43 -7.019 14.203 2.234 1.00 0.00 C ATOM 635 C VAL A 43 -5.926 14.433 1.187 1.00 0.00 C ATOM 636 O VAL A 43 -5.030 13.627 1.036 1.00 0.00 O ATOM 637 CB VAL A 43 -6.702 14.982 3.514 1.00 0.00 C ATOM 638 CG1 VAL A 43 -7.455 14.361 4.693 1.00 0.00 C ATOM 639 CG2 VAL A 43 -5.196 14.930 3.787 1.00 0.00 C ATOM 0 H VAL A 43 -6.159 12.390 2.971 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.961 14.519 1.787 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.013 16.019 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.228 14.917 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.527 14.401 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.147 13.323 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.972 15.485 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.884 13.893 3.908 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.659 15.375 2.950 1.00 0.00 H new ATOM 649 N PRO A 44 -6.036 15.539 0.504 1.00 0.00 N ATOM 650 CA PRO A 44 -5.037 15.890 -0.534 1.00 0.00 C ATOM 651 C PRO A 44 -3.652 16.024 0.102 1.00 0.00 C ATOM 652 O PRO A 44 -3.505 16.565 1.180 1.00 0.00 O ATOM 653 CB PRO A 44 -5.516 17.239 -1.079 1.00 0.00 C ATOM 654 CG PRO A 44 -6.933 17.387 -0.611 1.00 0.00 C ATOM 655 CD PRO A 44 -7.084 16.551 0.631 1.00 0.00 C ATOM 0 HA PRO A 44 -4.953 15.136 -1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.894 18.054 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.459 17.264 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.161 18.432 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.629 17.058 -1.383 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.955 17.149 1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.073 16.097 0.689 1.00 0.00 H new ATOM 663 N ALA A 45 -2.635 15.532 -0.548 1.00 0.00 N ATOM 664 CA ALA A 45 -1.266 15.631 0.033 1.00 0.00 C ATOM 665 C ALA A 45 -0.408 16.598 -0.788 1.00 0.00 C ATOM 666 O ALA A 45 -0.242 17.749 -0.435 1.00 0.00 O ATOM 667 CB ALA A 45 -0.699 14.214 -0.046 1.00 0.00 C ATOM 0 H ALA A 45 -2.691 15.067 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.279 16.010 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.311 14.203 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.331 13.537 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.672 13.891 -1.087 1.00 0.00 H new ATOM 673 N SER A 46 0.141 16.139 -1.880 1.00 0.00 N ATOM 674 CA SER A 46 0.991 17.029 -2.726 1.00 0.00 C ATOM 675 C SER A 46 2.316 17.329 -2.016 1.00 0.00 C ATOM 676 O SER A 46 3.376 16.959 -2.479 1.00 0.00 O ATOM 677 CB SER A 46 0.175 18.308 -2.903 1.00 0.00 C ATOM 678 OG SER A 46 0.440 18.861 -4.186 1.00 0.00 O ATOM 0 H SER A 46 0.038 15.184 -2.224 1.00 0.00 H new ATOM 0 HA SER A 46 1.241 16.571 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.888 18.092 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.431 19.027 -2.125 1.00 0.00 H new ATOM 0 HG SER A 46 -0.084 19.681 -4.303 1.00 0.00 H new ATOM 684 N ASN A 47 2.263 17.996 -0.896 1.00 0.00 N ATOM 685 CA ASN A 47 3.520 18.319 -0.160 1.00 0.00 C ATOM 686 C ASN A 47 3.988 17.105 0.648 1.00 0.00 C ATOM 687 O ASN A 47 4.918 17.184 1.424 1.00 0.00 O ATOM 688 CB ASN A 47 3.146 19.471 0.773 1.00 0.00 C ATOM 689 CG ASN A 47 2.368 20.532 -0.009 1.00 0.00 C ATOM 690 OD1 ASN A 47 1.228 20.816 0.299 1.00 0.00 O ATOM 691 ND2 ASN A 47 2.940 21.131 -1.018 1.00 0.00 N ATOM 0 H ASN A 47 1.405 18.331 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 47 4.335 18.586 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.543 19.100 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.046 19.910 1.205 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.430 21.838 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.897 20.892 -1.277 1.00 0.00 H new ATOM 698 N VAL A 48 3.347 15.982 0.470 1.00 0.00 N ATOM 699 CA VAL A 48 3.750 14.763 1.226 1.00 0.00 C ATOM 700 C VAL A 48 5.228 14.451 0.990 1.00 0.00 C ATOM 701 O VAL A 48 5.738 14.588 -0.103 1.00 0.00 O ATOM 702 CB VAL A 48 2.870 13.643 0.669 1.00 0.00 C ATOM 703 CG1 VAL A 48 2.821 13.740 -0.858 1.00 0.00 C ATOM 704 CG2 VAL A 48 3.454 12.288 1.072 1.00 0.00 C ATOM 0 H VAL A 48 2.561 15.856 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 48 3.623 14.887 2.301 1.00 0.00 H new ATOM 0 HB VAL A 48 1.862 13.741 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.194 12.941 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.406 14.705 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.829 13.643 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.827 11.489 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.462 12.192 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.489 12.216 2.159 1.00 0.00 H new ATOM 714 N THR A 49 5.916 14.028 2.014 1.00 0.00 N ATOM 715 CA THR A 49 7.364 13.699 1.864 1.00 0.00 C ATOM 716 C THR A 49 7.766 12.636 2.889 1.00 0.00 C ATOM 717 O THR A 49 7.185 12.537 3.950 1.00 0.00 O ATOM 718 CB THR A 49 8.101 15.012 2.135 1.00 0.00 C ATOM 719 OG1 THR A 49 7.474 15.689 3.216 1.00 0.00 O ATOM 720 CG2 THR A 49 8.056 15.891 0.885 1.00 0.00 C ATOM 0 H THR A 49 5.538 13.895 2.952 1.00 0.00 H new ATOM 0 HA THR A 49 7.599 13.299 0.878 1.00 0.00 H new ATOM 0 HB THR A 49 9.140 14.801 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.945 16.530 3.393 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.581 16.826 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.536 15.370 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.019 16.104 0.627 1.00 0.00 H new ATOM 728 N CYS A 50 8.754 11.836 2.585 1.00 0.00 N ATOM 729 CA CYS A 50 9.174 10.786 3.556 1.00 0.00 C ATOM 730 C CYS A 50 9.280 11.385 4.959 1.00 0.00 C ATOM 731 O CYS A 50 9.050 10.716 5.947 1.00 0.00 O ATOM 732 CB CYS A 50 10.544 10.300 3.080 1.00 0.00 C ATOM 733 SG CYS A 50 11.239 9.186 4.328 1.00 0.00 S ATOM 0 H CYS A 50 9.284 11.864 1.714 1.00 0.00 H new ATOM 0 HA CYS A 50 8.456 9.968 3.603 1.00 0.00 H new ATOM 0 HB2 CYS A 50 10.450 9.784 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.210 11.148 2.919 1.00 0.00 H new ATOM 738 N LYS A 51 9.620 12.645 5.057 1.00 0.00 N ATOM 739 CA LYS A 51 9.731 13.284 6.401 1.00 0.00 C ATOM 740 C LYS A 51 8.604 12.777 7.299 1.00 0.00 C ATOM 741 O LYS A 51 8.800 12.493 8.465 1.00 0.00 O ATOM 742 CB LYS A 51 9.581 14.784 6.142 1.00 0.00 C ATOM 743 CG LYS A 51 10.876 15.501 6.524 1.00 0.00 C ATOM 744 CD LYS A 51 10.572 16.965 6.849 1.00 0.00 C ATOM 745 CE LYS A 51 11.410 17.873 5.947 1.00 0.00 C ATOM 746 NZ LYS A 51 10.972 19.257 6.281 1.00 0.00 N ATOM 0 H LYS A 51 9.825 13.256 4.267 1.00 0.00 H new ATOM 0 HA LYS A 51 10.673 13.056 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.352 14.961 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.748 15.182 6.722 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.334 15.014 7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.593 15.440 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.511 17.168 6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.794 17.170 7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 51 12.476 17.740 6.134 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.241 17.649 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.503 19.938 5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.955 19.356 6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.152 19.445 7.288 1.00 0.00 H new ATOM 760 N ASP A 52 7.427 12.647 6.755 1.00 0.00 N ATOM 761 CA ASP A 52 6.279 12.141 7.557 1.00 0.00 C ATOM 762 C ASP A 52 6.276 10.612 7.522 1.00 0.00 C ATOM 763 O ASP A 52 7.307 9.986 7.370 1.00 0.00 O ATOM 764 CB ASP A 52 5.038 12.690 6.856 1.00 0.00 C ATOM 765 CG ASP A 52 3.890 12.806 7.860 1.00 0.00 C ATOM 766 OD1 ASP A 52 4.163 12.769 9.049 1.00 0.00 O ATOM 767 OD2 ASP A 52 2.758 12.930 7.424 1.00 0.00 O ATOM 0 H ASP A 52 7.210 12.871 5.784 1.00 0.00 H new ATOM 0 HA ASP A 52 6.324 12.449 8.602 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.255 13.666 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.751 12.033 6.035 1.00 0.00 H new ATOM 772 N ASN A 53 5.130 10.005 7.638 1.00 0.00 N ATOM 773 CA ASN A 53 5.078 8.527 7.581 1.00 0.00 C ATOM 774 C ASN A 53 4.844 8.102 6.136 1.00 0.00 C ATOM 775 O ASN A 53 3.786 8.304 5.579 1.00 0.00 O ATOM 776 CB ASN A 53 3.891 8.132 8.462 1.00 0.00 C ATOM 777 CG ASN A 53 4.349 8.020 9.915 1.00 0.00 C ATOM 778 OD1 ASN A 53 4.064 7.043 10.581 1.00 0.00 O ATOM 779 ND2 ASN A 53 5.052 8.985 10.443 1.00 0.00 N ATOM 0 H ASN A 53 4.232 10.470 7.769 1.00 0.00 H new ATOM 0 HA ASN A 53 5.997 8.052 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.098 8.875 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.476 7.182 8.126 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.361 8.919 11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.292 9.805 9.886 1.00 0.00 H new ATOM 786 N ASN A 54 5.832 7.520 5.534 1.00 0.00 N ATOM 787 CA ASN A 54 5.698 7.073 4.117 1.00 0.00 C ATOM 788 C ASN A 54 4.934 8.121 3.293 1.00 0.00 C ATOM 789 O ASN A 54 3.723 8.203 3.347 1.00 0.00 O ATOM 790 CB ASN A 54 4.901 5.771 4.189 1.00 0.00 C ATOM 791 CG ASN A 54 5.858 4.576 4.261 1.00 0.00 C ATOM 792 OD1 ASN A 54 5.645 3.661 5.033 1.00 0.00 O ATOM 793 ND2 ASN A 54 6.910 4.542 3.487 1.00 0.00 N ATOM 0 H ASN A 54 6.738 7.330 5.961 1.00 0.00 H new ATOM 0 HA ASN A 54 6.667 6.938 3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.251 5.780 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.257 5.680 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.550 3.749 3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.091 5.308 2.839 1.00 0.00 H new ATOM 800 N GLY A 55 5.630 8.918 2.525 1.00 0.00 N ATOM 801 CA GLY A 55 4.942 9.955 1.694 1.00 0.00 C ATOM 802 C GLY A 55 4.079 9.276 0.623 1.00 0.00 C ATOM 803 O GLY A 55 4.022 9.715 -0.508 1.00 0.00 O ATOM 0 H GLY A 55 6.646 8.897 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.320 10.588 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.680 10.604 1.222 1.00 0.00 H new ATOM 807 N GLY A 56 3.413 8.207 0.966 1.00 0.00 N ATOM 808 CA GLY A 56 2.564 7.500 -0.035 1.00 0.00 C ATOM 809 C GLY A 56 3.340 6.301 -0.573 1.00 0.00 C ATOM 810 O GLY A 56 3.211 5.922 -1.719 1.00 0.00 O ATOM 0 H GLY A 56 3.420 7.792 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.632 7.172 0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.298 8.174 -0.849 1.00 0.00 H new ATOM 814 N CYS A 57 4.159 5.711 0.254 1.00 0.00 N ATOM 815 CA CYS A 57 4.968 4.545 -0.194 1.00 0.00 C ATOM 816 C CYS A 57 4.589 3.288 0.592 1.00 0.00 C ATOM 817 O CYS A 57 4.703 2.183 0.101 1.00 0.00 O ATOM 818 CB CYS A 57 6.408 4.948 0.117 1.00 0.00 C ATOM 819 SG CYS A 57 6.722 6.615 -0.513 1.00 0.00 S ATOM 0 H CYS A 57 4.302 5.989 1.225 1.00 0.00 H new ATOM 0 HA CYS A 57 4.811 4.311 -1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.581 4.916 1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.101 4.240 -0.338 1.00 0.00 H new ATOM 824 N ALA A 58 4.149 3.450 1.813 1.00 0.00 N ATOM 825 CA ALA A 58 3.773 2.270 2.650 1.00 0.00 C ATOM 826 C ALA A 58 5.031 1.657 3.277 1.00 0.00 C ATOM 827 O ALA A 58 6.104 1.724 2.711 1.00 0.00 O ATOM 828 CB ALA A 58 3.096 1.282 1.695 1.00 0.00 C ATOM 0 H ALA A 58 4.033 4.355 2.270 1.00 0.00 H new ATOM 0 HA ALA A 58 3.107 2.540 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.795 0.391 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.217 1.749 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.794 1.002 0.906 1.00 0.00 H new ATOM 834 N PRO A 59 4.853 1.089 4.438 1.00 0.00 N ATOM 835 CA PRO A 59 5.988 0.470 5.170 1.00 0.00 C ATOM 836 C PRO A 59 6.747 -0.513 4.273 1.00 0.00 C ATOM 837 O PRO A 59 7.953 -0.628 4.350 1.00 0.00 O ATOM 838 CB PRO A 59 5.318 -0.262 6.331 1.00 0.00 C ATOM 839 CG PRO A 59 3.987 0.399 6.507 1.00 0.00 C ATOM 840 CD PRO A 59 3.589 0.972 5.171 1.00 0.00 C ATOM 0 HA PRO A 59 6.724 1.203 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.203 -1.323 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.916 -0.187 7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.244 -0.320 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.045 1.185 7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.886 0.320 4.652 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.102 1.941 5.282 1.00 0.00 H new ATOM 848 N GLU A 60 6.054 -1.224 3.430 1.00 0.00 N ATOM 849 CA GLU A 60 6.744 -2.198 2.538 1.00 0.00 C ATOM 850 C GLU A 60 7.478 -1.465 1.410 1.00 0.00 C ATOM 851 O GLU A 60 8.084 -2.076 0.553 1.00 0.00 O ATOM 852 CB GLU A 60 5.626 -3.075 1.972 1.00 0.00 C ATOM 853 CG GLU A 60 5.011 -3.907 3.100 1.00 0.00 C ATOM 854 CD GLU A 60 3.757 -3.207 3.626 1.00 0.00 C ATOM 855 OE1 GLU A 60 3.884 -2.097 4.116 1.00 0.00 O ATOM 856 OE2 GLU A 60 2.690 -3.792 3.529 1.00 0.00 O ATOM 0 H GLU A 60 5.041 -1.174 3.319 1.00 0.00 H new ATOM 0 HA GLU A 60 7.494 -2.784 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.862 -2.453 1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.021 -3.730 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.759 -4.903 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.733 -4.036 3.906 1.00 0.00 H new ATOM 863 N ALA A 61 7.427 -0.160 1.400 1.00 0.00 N ATOM 864 CA ALA A 61 8.120 0.606 0.323 1.00 0.00 C ATOM 865 C ALA A 61 9.136 1.581 0.926 1.00 0.00 C ATOM 866 O ALA A 61 8.989 2.034 2.044 1.00 0.00 O ATOM 867 CB ALA A 61 7.013 1.366 -0.402 1.00 0.00 C ATOM 0 H ALA A 61 6.936 0.409 2.090 1.00 0.00 H new ATOM 0 HA ALA A 61 8.674 -0.048 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.445 1.955 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.294 0.657 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.507 2.029 0.300 1.00 0.00 H new ATOM 873 N GLU A 62 10.164 1.906 0.193 1.00 0.00 N ATOM 874 CA GLU A 62 11.193 2.851 0.717 1.00 0.00 C ATOM 875 C GLU A 62 10.815 4.287 0.344 1.00 0.00 C ATOM 876 O GLU A 62 10.227 4.533 -0.690 1.00 0.00 O ATOM 877 CB GLU A 62 12.498 2.442 0.034 1.00 0.00 C ATOM 878 CG GLU A 62 13.228 1.413 0.899 1.00 0.00 C ATOM 879 CD GLU A 62 12.269 0.278 1.261 1.00 0.00 C ATOM 880 OE1 GLU A 62 11.577 -0.192 0.372 1.00 0.00 O ATOM 881 OE2 GLU A 62 12.243 -0.105 2.419 1.00 0.00 O ATOM 0 H GLU A 62 10.338 1.557 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 62 11.279 2.812 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.289 2.023 -0.950 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.130 3.317 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.090 1.017 0.362 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.606 1.887 1.805 1.00 0.00 H new ATOM 888 N CYS A 63 11.127 5.233 1.187 1.00 0.00 N ATOM 889 CA CYS A 63 10.755 6.644 0.889 1.00 0.00 C ATOM 890 C CYS A 63 11.966 7.438 0.379 1.00 0.00 C ATOM 891 O CYS A 63 12.953 7.611 1.065 1.00 0.00 O ATOM 892 CB CYS A 63 10.264 7.210 2.227 1.00 0.00 C ATOM 893 SG CYS A 63 11.676 7.481 3.331 1.00 0.00 S ATOM 0 H CYS A 63 11.622 5.090 2.067 1.00 0.00 H new ATOM 0 HA CYS A 63 9.997 6.708 0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.733 8.148 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.557 6.520 2.687 1.00 0.00 H new ATOM 898 N LYS A 64 11.875 7.936 -0.821 1.00 0.00 N ATOM 899 CA LYS A 64 12.992 8.744 -1.390 1.00 0.00 C ATOM 900 C LYS A 64 12.457 10.129 -1.752 1.00 0.00 C ATOM 901 O LYS A 64 11.285 10.295 -2.011 1.00 0.00 O ATOM 902 CB LYS A 64 13.444 7.995 -2.642 1.00 0.00 C ATOM 903 CG LYS A 64 14.694 8.666 -3.213 1.00 0.00 C ATOM 904 CD LYS A 64 15.917 8.254 -2.393 1.00 0.00 C ATOM 905 CE LYS A 64 17.175 8.370 -3.256 1.00 0.00 C ATOM 906 NZ LYS A 64 17.347 9.831 -3.494 1.00 0.00 N ATOM 0 H LYS A 64 11.071 7.818 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 64 13.820 8.874 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.656 6.954 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.647 7.993 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.829 8.379 -4.256 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.579 9.750 -3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.008 8.890 -1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.801 7.230 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.042 7.948 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.061 7.828 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.322 10.020 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.683 10.143 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.157 10.351 -2.614 1.00 0.00 H new ATOM 920 N MET A 65 13.286 11.127 -1.762 1.00 0.00 N ATOM 921 CA MET A 65 12.771 12.486 -2.094 1.00 0.00 C ATOM 922 C MET A 65 13.532 13.086 -3.278 1.00 0.00 C ATOM 923 O MET A 65 14.711 12.855 -3.459 1.00 0.00 O ATOM 924 CB MET A 65 12.986 13.316 -0.828 1.00 0.00 C ATOM 925 CG MET A 65 12.745 12.450 0.411 1.00 0.00 C ATOM 926 SD MET A 65 11.627 13.315 1.541 1.00 0.00 S ATOM 927 CE MET A 65 10.351 13.728 0.325 1.00 0.00 C ATOM 0 H MET A 65 14.284 11.069 -1.559 1.00 0.00 H new ATOM 0 HA MET A 65 11.722 12.461 -2.389 1.00 0.00 H new ATOM 0 HB2 MET A 65 14.000 13.714 -0.812 1.00 0.00 H new ATOM 0 HB3 MET A 65 12.308 14.170 -0.823 1.00 0.00 H new ATOM 0 HG2 MET A 65 12.316 11.491 0.120 1.00 0.00 H new ATOM 0 HG3 MET A 65 13.691 12.238 0.909 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.369 13.481 0.729 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.393 14.794 0.101 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.521 13.158 -0.589 1.00 0.00 H new ATOM 937 N THR A 66 12.855 13.856 -4.088 1.00 0.00 N ATOM 938 CA THR A 66 13.518 14.476 -5.269 1.00 0.00 C ATOM 939 C THR A 66 13.805 15.959 -5.008 1.00 0.00 C ATOM 940 O THR A 66 13.517 16.483 -3.951 1.00 0.00 O ATOM 941 CB THR A 66 12.516 14.317 -6.413 1.00 0.00 C ATOM 942 OG1 THR A 66 13.058 14.888 -7.598 1.00 0.00 O ATOM 943 CG2 THR A 66 11.210 15.028 -6.054 1.00 0.00 C ATOM 0 H THR A 66 11.866 14.082 -3.980 1.00 0.00 H new ATOM 0 HA THR A 66 14.476 14.007 -5.494 1.00 0.00 H new ATOM 0 HB THR A 66 12.317 13.258 -6.577 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.825 15.839 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.497 14.914 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.795 14.590 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.406 16.088 -5.889 1.00 0.00 H new ATOM 951 N ASP A 67 14.375 16.631 -5.968 1.00 0.00 N ATOM 952 CA ASP A 67 14.695 18.080 -5.795 1.00 0.00 C ATOM 953 C ASP A 67 13.409 18.900 -5.643 1.00 0.00 C ATOM 954 O ASP A 67 13.441 20.052 -5.259 1.00 0.00 O ATOM 955 CB ASP A 67 15.435 18.477 -7.072 1.00 0.00 C ATOM 956 CG ASP A 67 14.539 18.214 -8.284 1.00 0.00 C ATOM 957 OD1 ASP A 67 13.653 17.383 -8.173 1.00 0.00 O ATOM 958 OD2 ASP A 67 14.756 18.848 -9.304 1.00 0.00 O ATOM 0 H ASP A 67 14.636 16.238 -6.872 1.00 0.00 H new ATOM 0 HA ASP A 67 15.292 18.264 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.711 19.531 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.361 17.908 -7.160 1.00 0.00 H new ATOM 963 N SER A 68 12.283 18.318 -5.940 1.00 0.00 N ATOM 964 CA SER A 68 10.999 19.064 -5.810 1.00 0.00 C ATOM 965 C SER A 68 10.349 18.720 -4.476 1.00 0.00 C ATOM 966 O SER A 68 9.167 18.913 -4.272 1.00 0.00 O ATOM 967 CB SER A 68 10.135 18.580 -6.973 1.00 0.00 C ATOM 968 OG SER A 68 10.649 19.105 -8.191 1.00 0.00 O ATOM 0 H SER A 68 12.194 17.356 -6.268 1.00 0.00 H new ATOM 0 HA SER A 68 11.135 20.145 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.128 17.491 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.103 18.901 -6.832 1.00 0.00 H new ATOM 0 HG SER A 68 10.098 18.795 -8.939 1.00 0.00 H new ATOM 974 N ASN A 69 11.123 18.200 -3.567 1.00 0.00 N ATOM 975 CA ASN A 69 10.578 17.825 -2.238 1.00 0.00 C ATOM 976 C ASN A 69 9.455 16.797 -2.401 1.00 0.00 C ATOM 977 O ASN A 69 8.583 16.675 -1.563 1.00 0.00 O ATOM 978 CB ASN A 69 10.042 19.127 -1.640 1.00 0.00 C ATOM 979 CG ASN A 69 11.179 20.145 -1.531 1.00 0.00 C ATOM 980 OD1 ASN A 69 12.320 19.779 -1.331 1.00 0.00 O ATOM 981 ND2 ASN A 69 10.913 21.417 -1.652 1.00 0.00 N ATOM 0 H ASN A 69 12.119 18.018 -3.691 1.00 0.00 H new ATOM 0 HA ASN A 69 11.332 17.370 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.242 19.525 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.613 18.938 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.663 22.104 -1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.955 21.724 -1.820 1.00 0.00 H new ATOM 988 N LYS A 70 9.476 16.058 -3.472 1.00 0.00 N ATOM 989 CA LYS A 70 8.420 15.031 -3.698 1.00 0.00 C ATOM 990 C LYS A 70 8.919 13.661 -3.231 1.00 0.00 C ATOM 991 O LYS A 70 9.945 13.185 -3.677 1.00 0.00 O ATOM 992 CB LYS A 70 8.194 15.030 -5.209 1.00 0.00 C ATOM 993 CG LYS A 70 6.693 15.087 -5.502 1.00 0.00 C ATOM 994 CD LYS A 70 6.037 13.776 -5.065 1.00 0.00 C ATOM 995 CE LYS A 70 5.328 13.981 -3.725 1.00 0.00 C ATOM 996 NZ LYS A 70 4.438 15.157 -3.937 1.00 0.00 N ATOM 0 H LYS A 70 10.182 16.120 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 70 7.504 15.244 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.696 15.884 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.628 14.133 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.240 15.926 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.526 15.253 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.323 13.445 -5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.790 12.993 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.755 13.098 -3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.044 14.167 -2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.653 15.887 -3.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.594 15.543 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.445 14.863 -3.841 1.00 0.00 H new ATOM 1010 N ILE A 71 8.216 13.022 -2.335 1.00 0.00 N ATOM 1011 CA ILE A 71 8.679 11.693 -1.855 1.00 0.00 C ATOM 1012 C ILE A 71 8.399 10.614 -2.904 1.00 0.00 C ATOM 1013 O ILE A 71 7.290 10.461 -3.374 1.00 0.00 O ATOM 1014 CB ILE A 71 7.876 11.424 -0.584 1.00 0.00 C ATOM 1015 CG1 ILE A 71 8.115 9.985 -0.130 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.385 11.630 -0.864 1.00 0.00 C ATOM 1017 CD1 ILE A 71 9.597 9.645 -0.296 1.00 0.00 C ATOM 0 H ILE A 71 7.349 13.361 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 71 9.753 11.680 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 71 8.194 12.112 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.817 9.865 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.504 9.299 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.814 11.437 0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.214 12.656 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.064 10.943 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.773 8.619 0.027 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.879 9.750 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.196 10.324 0.311 1.00 0.00 H new ATOM 1029 N VAL A 72 9.400 9.861 -3.264 1.00 0.00 N ATOM 1030 CA VAL A 72 9.202 8.782 -4.268 1.00 0.00 C ATOM 1031 C VAL A 72 9.055 7.440 -3.550 1.00 0.00 C ATOM 1032 O VAL A 72 9.771 7.143 -2.615 1.00 0.00 O ATOM 1033 CB VAL A 72 10.466 8.798 -5.130 1.00 0.00 C ATOM 1034 CG1 VAL A 72 10.312 7.805 -6.282 1.00 0.00 C ATOM 1035 CG2 VAL A 72 10.678 10.204 -5.694 1.00 0.00 C ATOM 0 H VAL A 72 10.350 9.948 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 72 8.306 8.929 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 72 11.325 8.516 -4.521 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.213 7.817 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.160 6.803 -5.881 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.454 8.086 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.578 10.218 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.819 10.485 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.788 10.913 -4.873 1.00 0.00 H new ATOM 1045 N CYS A 73 8.119 6.639 -3.967 1.00 0.00 N ATOM 1046 CA CYS A 73 7.909 5.325 -3.297 1.00 0.00 C ATOM 1047 C CYS A 73 8.457 4.179 -4.150 1.00 0.00 C ATOM 1048 O CYS A 73 8.272 4.137 -5.350 1.00 0.00 O ATOM 1049 CB CYS A 73 6.393 5.203 -3.154 1.00 0.00 C ATOM 1050 SG CYS A 73 5.758 6.656 -2.286 1.00 0.00 S ATOM 0 H CYS A 73 7.488 6.836 -4.744 1.00 0.00 H new ATOM 0 HA CYS A 73 8.426 5.269 -2.339 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.929 5.120 -4.137 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.139 4.297 -2.604 1.00 0.00 H new ATOM 1055 N LYS A 74 9.124 3.246 -3.529 1.00 0.00 N ATOM 1056 CA LYS A 74 9.680 2.090 -4.286 1.00 0.00 C ATOM 1057 C LYS A 74 9.479 0.805 -3.480 1.00 0.00 C ATOM 1058 O LYS A 74 9.994 0.658 -2.390 1.00 0.00 O ATOM 1059 CB LYS A 74 11.169 2.397 -4.446 1.00 0.00 C ATOM 1060 CG LYS A 74 11.915 1.122 -4.841 1.00 0.00 C ATOM 1061 CD LYS A 74 13.045 1.471 -5.813 1.00 0.00 C ATOM 1062 CE LYS A 74 14.370 0.928 -5.272 1.00 0.00 C ATOM 1063 NZ LYS A 74 15.283 2.104 -5.242 1.00 0.00 N ATOM 0 H LYS A 74 9.308 3.235 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 74 9.193 1.948 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.313 3.165 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.572 2.792 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.321 0.636 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.227 0.415 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.839 1.045 -6.795 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.108 2.552 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.245 0.500 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.764 0.138 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.214 1.812 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.388 2.486 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.885 2.836 -4.620 1.00 0.00 H new ATOM 1077 N CYS A 75 8.730 -0.126 -4.004 1.00 0.00 N ATOM 1078 CA CYS A 75 8.494 -1.395 -3.260 1.00 0.00 C ATOM 1079 C CYS A 75 9.317 -2.529 -3.873 1.00 0.00 C ATOM 1080 O CYS A 75 9.216 -2.818 -5.049 1.00 0.00 O ATOM 1081 CB CYS A 75 6.996 -1.669 -3.413 1.00 0.00 C ATOM 1082 SG CYS A 75 6.667 -3.434 -3.171 1.00 0.00 S ATOM 0 H CYS A 75 8.272 -0.063 -4.913 1.00 0.00 H new ATOM 0 HA CYS A 75 8.789 -1.323 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.434 -1.082 -2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.660 -1.359 -4.402 1.00 0.00 H new ATOM 1087 N THR A 76 10.131 -3.175 -3.085 1.00 0.00 N ATOM 1088 CA THR A 76 10.957 -4.292 -3.624 1.00 0.00 C ATOM 1089 C THR A 76 11.521 -5.139 -2.480 1.00 0.00 C ATOM 1090 O THR A 76 12.514 -5.822 -2.631 1.00 0.00 O ATOM 1091 CB THR A 76 12.088 -3.613 -4.398 1.00 0.00 C ATOM 1092 OG1 THR A 76 13.095 -4.569 -4.696 1.00 0.00 O ATOM 1093 CG2 THR A 76 12.683 -2.488 -3.551 1.00 0.00 C ATOM 0 H THR A 76 10.260 -2.978 -2.092 1.00 0.00 H new ATOM 0 HA THR A 76 10.376 -4.964 -4.256 1.00 0.00 H new ATOM 0 HB THR A 76 11.696 -3.197 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.335 -5.056 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.489 -2.004 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.909 -1.755 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 76 13.076 -2.901 -2.622 1.00 0.00 H new ATOM 1101 N LYS A 77 10.895 -5.101 -1.335 1.00 0.00 N ATOM 1102 CA LYS A 77 11.395 -5.906 -0.186 1.00 0.00 C ATOM 1103 C LYS A 77 11.208 -7.399 -0.466 1.00 0.00 C ATOM 1104 O LYS A 77 10.479 -8.084 0.224 1.00 0.00 O ATOM 1105 CB LYS A 77 10.538 -5.472 1.004 1.00 0.00 C ATOM 1106 CG LYS A 77 11.292 -5.749 2.305 1.00 0.00 C ATOM 1107 CD LYS A 77 10.336 -6.365 3.329 1.00 0.00 C ATOM 1108 CE LYS A 77 11.131 -6.864 4.537 1.00 0.00 C ATOM 1109 NZ LYS A 77 11.618 -8.216 4.145 1.00 0.00 N ATOM 0 H LYS A 77 10.059 -4.547 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 77 12.458 -5.748 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.302 -4.411 0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.590 -6.011 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.126 -6.426 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.714 -4.824 2.697 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.600 -5.626 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.785 -7.190 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.962 -6.196 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.506 -6.913 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.574 -8.364 4.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.977 -8.940 4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.643 -8.289 3.108 1.00 0.00 H new ATOM 1123 N GLU A 78 11.857 -7.909 -1.478 1.00 0.00 N ATOM 1124 CA GLU A 78 11.712 -9.357 -1.801 1.00 0.00 C ATOM 1125 C GLU A 78 10.287 -9.651 -2.275 1.00 0.00 C ATOM 1126 O GLU A 78 9.333 -9.493 -1.539 1.00 0.00 O ATOM 1127 CB GLU A 78 12.003 -10.088 -0.490 1.00 0.00 C ATOM 1128 CG GLU A 78 12.749 -11.390 -0.785 1.00 0.00 C ATOM 1129 CD GLU A 78 13.264 -11.989 0.525 1.00 0.00 C ATOM 1130 OE1 GLU A 78 12.498 -12.675 1.182 1.00 0.00 O ATOM 1131 OE2 GLU A 78 14.415 -11.752 0.851 1.00 0.00 O ATOM 0 H GLU A 78 12.480 -7.386 -2.094 1.00 0.00 H new ATOM 0 HA GLU A 78 12.384 -9.672 -2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.600 -9.455 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.071 -10.301 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.086 -12.096 -1.285 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.581 -11.200 -1.463 1.00 0.00 H new ATOM 1138 N GLY A 79 10.132 -10.073 -3.500 1.00 0.00 N ATOM 1139 CA GLY A 79 8.766 -10.371 -4.019 1.00 0.00 C ATOM 1140 C GLY A 79 7.808 -9.256 -3.596 1.00 0.00 C ATOM 1141 O GLY A 79 6.617 -9.462 -3.469 1.00 0.00 O ATOM 0 H GLY A 79 10.891 -10.224 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.788 -10.454 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.419 -11.330 -3.633 1.00 0.00 H new ATOM 1145 N SER A 80 8.320 -8.075 -3.377 1.00 0.00 N ATOM 1146 CA SER A 80 7.443 -6.945 -2.960 1.00 0.00 C ATOM 1147 C SER A 80 6.800 -6.293 -4.189 1.00 0.00 C ATOM 1148 O SER A 80 7.423 -6.140 -5.220 1.00 0.00 O ATOM 1149 CB SER A 80 8.378 -5.964 -2.256 1.00 0.00 C ATOM 1150 OG SER A 80 7.816 -5.597 -1.003 1.00 0.00 O ATOM 0 H SER A 80 9.309 -7.844 -3.469 1.00 0.00 H new ATOM 0 HA SER A 80 6.628 -7.268 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.358 -6.419 -2.109 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.527 -5.079 -2.874 1.00 0.00 H new ATOM 0 HG SER A 80 6.945 -5.172 -1.147 1.00 0.00 H new ATOM 1156 N GLU A 81 5.557 -5.909 -4.084 1.00 0.00 N ATOM 1157 CA GLU A 81 4.873 -5.268 -5.244 1.00 0.00 C ATOM 1158 C GLU A 81 4.027 -4.081 -4.775 1.00 0.00 C ATOM 1159 O GLU A 81 3.058 -4.255 -4.063 1.00 0.00 O ATOM 1160 CB GLU A 81 3.982 -6.362 -5.832 1.00 0.00 C ATOM 1161 CG GLU A 81 4.112 -6.362 -7.357 1.00 0.00 C ATOM 1162 CD GLU A 81 5.194 -7.358 -7.777 1.00 0.00 C ATOM 1163 OE1 GLU A 81 6.203 -7.431 -7.095 1.00 0.00 O ATOM 1164 OE2 GLU A 81 4.995 -8.032 -8.774 1.00 0.00 O ATOM 0 H GLU A 81 4.985 -6.011 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 81 5.581 -4.880 -5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.270 -7.334 -5.432 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.944 -6.194 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.159 -6.630 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.365 -5.363 -7.711 1.00 0.00 H new ATOM 1171 N PRO A 82 4.425 -2.909 -5.193 1.00 0.00 N ATOM 1172 CA PRO A 82 3.695 -1.677 -4.808 1.00 0.00 C ATOM 1173 C PRO A 82 2.345 -1.614 -5.525 1.00 0.00 C ATOM 1174 O PRO A 82 2.245 -1.897 -6.702 1.00 0.00 O ATOM 1175 CB PRO A 82 4.608 -0.548 -5.281 1.00 0.00 C ATOM 1176 CG PRO A 82 5.465 -1.153 -6.349 1.00 0.00 C ATOM 1177 CD PRO A 82 5.576 -2.627 -6.058 1.00 0.00 C ATOM 0 HA PRO A 82 3.481 -1.625 -3.740 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.029 0.290 -5.669 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.215 -0.163 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.025 -0.988 -7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.451 -0.689 -6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.541 -3.218 -6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.516 -2.865 -5.561 1.00 0.00 H new ATOM 1185 N LEU A 83 1.304 -1.247 -4.829 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.031 -1.170 -5.486 1.00 0.00 C ATOM 1187 C LEU A 83 -0.280 0.238 -6.021 1.00 0.00 C ATOM 1188 O LEU A 83 -0.275 1.205 -5.288 1.00 0.00 O ATOM 1189 CB LEU A 83 -1.032 -1.543 -4.393 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.803 -2.805 -4.800 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -2.144 -2.751 -6.290 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -0.938 -4.038 -4.524 1.00 0.00 C ATOM 0 H LEU A 83 1.320 -0.999 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.114 -1.837 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.509 -1.713 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.727 -0.719 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.726 -2.863 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.691 -3.651 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.760 -1.874 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.224 -2.689 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.483 -4.937 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.016 -3.972 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.698 -4.084 -3.462 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.490 0.341 -7.307 1.00 0.00 N ATOM 1205 CA PHE A 84 -0.730 1.665 -7.951 1.00 0.00 C ATOM 1206 C PHE A 84 0.193 2.739 -7.373 1.00 0.00 C ATOM 1207 O PHE A 84 1.134 3.177 -8.004 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.192 2.045 -7.666 1.00 0.00 C ATOM 1209 CG PHE A 84 -2.936 0.914 -6.994 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.520 -0.095 -7.770 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.064 0.889 -5.599 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -4.228 -1.133 -7.151 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.775 -0.146 -4.982 1.00 0.00 C ATOM 1214 CZ PHE A 84 -4.357 -1.157 -5.756 1.00 0.00 C ATOM 0 H PHE A 84 -0.505 -0.451 -7.949 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.529 1.599 -9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.222 2.930 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.690 2.306 -8.600 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.424 -0.073 -8.846 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.614 1.668 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.674 -1.914 -7.749 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.875 -0.165 -3.907 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.905 -1.955 -5.278 1.00 0.00 H new ATOM 1224 N GLU A 85 -0.096 3.178 -6.187 1.00 0.00 N ATOM 1225 CA GLU A 85 0.734 4.249 -5.556 1.00 0.00 C ATOM 1226 C GLU A 85 1.853 3.666 -4.689 1.00 0.00 C ATOM 1227 O GLU A 85 2.860 4.304 -4.453 1.00 0.00 O ATOM 1228 CB GLU A 85 -0.245 5.050 -4.695 1.00 0.00 C ATOM 1229 CG GLU A 85 -1.075 4.096 -3.834 1.00 0.00 C ATOM 1230 CD GLU A 85 -2.466 3.934 -4.448 1.00 0.00 C ATOM 1231 OE1 GLU A 85 -2.669 4.429 -5.546 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -3.305 3.318 -3.813 1.00 0.00 O ATOM 0 H GLU A 85 -0.874 2.844 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 85 1.229 4.861 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.301 5.747 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.901 5.645 -5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.581 3.127 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.157 4.484 -2.819 1.00 0.00 H new ATOM 1239 N GLY A 86 1.683 2.475 -4.191 1.00 0.00 N ATOM 1240 CA GLY A 86 2.736 1.883 -3.322 1.00 0.00 C ATOM 1241 C GLY A 86 2.216 1.842 -1.885 1.00 0.00 C ATOM 1242 O GLY A 86 2.680 1.072 -1.067 1.00 0.00 O ATOM 0 H GLY A 86 0.864 1.887 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.987 0.878 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.649 2.475 -3.377 1.00 0.00 H new ATOM 1246 N VAL A 87 1.241 2.660 -1.577 1.00 0.00 N ATOM 1247 CA VAL A 87 0.672 2.661 -0.198 1.00 0.00 C ATOM 1248 C VAL A 87 0.534 1.219 0.283 1.00 0.00 C ATOM 1249 O VAL A 87 0.587 0.928 1.460 1.00 0.00 O ATOM 1250 CB VAL A 87 -0.694 3.328 -0.340 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -1.757 2.277 -0.669 1.00 0.00 C ATOM 1252 CG2 VAL A 87 -1.057 4.031 0.970 1.00 0.00 C ATOM 0 H VAL A 87 0.816 3.326 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 87 1.295 3.186 0.527 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.653 4.059 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.729 2.761 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.501 1.781 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.800 1.539 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.032 4.507 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.092 3.300 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.306 4.787 1.197 1.00 0.00 H new ATOM 1262 N PHE A 88 0.379 0.318 -0.640 1.00 0.00 N ATOM 1263 CA PHE A 88 0.266 -1.117 -0.282 1.00 0.00 C ATOM 1264 C PHE A 88 1.228 -1.903 -1.166 1.00 0.00 C ATOM 1265 O PHE A 88 0.980 -2.117 -2.335 1.00 0.00 O ATOM 1266 CB PHE A 88 -1.182 -1.496 -0.578 1.00 0.00 C ATOM 1267 CG PHE A 88 -1.480 -2.831 0.052 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -1.726 -2.918 1.427 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.509 -3.983 -0.739 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -2.001 -4.161 2.011 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.784 -5.227 -0.157 1.00 0.00 C ATOM 1272 CZ PHE A 88 -2.032 -5.315 1.219 1.00 0.00 C ATOM 0 H PHE A 88 0.325 0.517 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 88 0.514 -1.326 0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.857 -0.736 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.346 -1.543 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.704 -2.027 2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.319 -3.914 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.189 -4.229 3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.805 -6.117 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.247 -6.273 1.669 1.00 0.00 H new ATOM 1282 N CYS A 89 2.342 -2.310 -0.636 1.00 0.00 N ATOM 1283 CA CYS A 89 3.323 -3.049 -1.472 1.00 0.00 C ATOM 1284 C CYS A 89 3.352 -4.527 -1.080 1.00 0.00 C ATOM 1285 O CYS A 89 3.797 -4.892 -0.009 1.00 0.00 O ATOM 1286 CB CYS A 89 4.660 -2.360 -1.184 1.00 0.00 C ATOM 1287 SG CYS A 89 6.013 -3.560 -1.266 1.00 0.00 S ATOM 0 H CYS A 89 2.616 -2.164 0.336 1.00 0.00 H new ATOM 0 HA CYS A 89 3.079 -3.029 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.829 -1.561 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.634 -1.897 -0.197 1.00 0.00 H new ATOM 1292 N SER A 90 2.878 -5.376 -1.949 1.00 0.00 N ATOM 1293 CA SER A 90 2.871 -6.835 -1.642 1.00 0.00 C ATOM 1294 C SER A 90 2.759 -7.646 -2.936 1.00 0.00 C ATOM 1295 O SER A 90 1.733 -7.543 -3.589 1.00 0.00 O ATOM 1296 CB SER A 90 1.638 -7.049 -0.766 1.00 0.00 C ATOM 1297 OG SER A 90 2.024 -7.694 0.440 1.00 0.00 O ATOM 1298 OXT SER A 90 3.700 -8.355 -3.251 1.00 0.00 O ATOM 0 H SER A 90 2.495 -5.123 -2.860 1.00 0.00 H new ATOM 0 HA SER A 90 3.785 -7.157 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.165 -6.092 -0.545 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.902 -7.654 -1.296 1.00 0.00 H new ATOM 0 HG SER A 90 1.235 -7.831 1.005 1.00 0.00 H new TER 1304 SER A 90