USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 591 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 39 CYS SG : rot 76:sc= 1.71 USER MOD Set 1.2: A 41 HIS : no HD1:sc= -4.6! C(o=-2.5!,f=-11!) USER MOD Set 1.3: A 114 CYS SG : rot 148:sc= 0.297 USER MOD Set 1.4: A 117 CYS SG : rot 122:sc= 0.0559 USER MOD Set 2.1: A 106 ASN : amide:sc= -1.37 K(o=-1.4,f=-9.3!) USER MOD Set 2.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 96 SER OG : rot 66:sc= 0.0786 USER MOD Set 3.2: A 97 GLN : amide:sc= -6.64! C(o=-6.6!,f=-9.1!) USER MOD Set 4.1: A 74 CYS SG : rot 90:sc= -1.02 USER MOD Set 4.2: A 79 CYS SG : rot -152:sc= -0.119 USER MOD Set 4.3: A 95 HIS : no HE2:sc= -0.739 K(o=-4.1,f=-5.7) USER MOD Set 4.4: A 99 THR OG1 : rot 157:sc= -0.105 USER MOD Set 4.5: A 101 HIS : no HE2:sc= -2.08! K(o=-4.1!,f=-9.4) USER MOD Set 5.1: A 93 THR OG1 : rot -58:sc= 0.859 USER MOD Set 5.2: A 115 TYR OH : rot 180:sc= 1.03 USER MOD Set 6.1: A 61 CYS SG : rot 146:sc= 0.00168 USER MOD Set 6.2: A 64 CYS SG : rot -44:sc= 0.881 USER MOD Set 6.3: A 84 CYS SG : rot -128:sc= -1.99 USER MOD Set 6.4: A 91 HIS : no HE2:sc= -0.975 K(o=-2.1,f=-4) USER MOD Single : A 44 SER OG : rot 63:sc= 1.36 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.185 K(o=-0.19,f=-2.7!) USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -1.73 (180deg=-7.39!) USER MOD Single : A 57 SER OG : rot -36:sc= 1.17 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.21 K(o=-2.2,f=-8.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.642 K(o=-0.64,f=-1.3!) USER MOD Single : A 80 SER OG : rot 60:sc= 1.18 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.28) USER MOD Single : A 92 SER OG : rot 120:sc= -1.17 USER MOD Single : A 100 LYS NZ :NH3+ -110:sc= 0.0996 (180deg=-1.57!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 110:sc= -0.803 USER MOD Single : A 108 THR OG1 : rot 115:sc= 0.641 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N CYS A 39 16.539 0.353 3.568 1.00 0.00 N ATOM 60 CA CYS A 39 15.996 -0.737 2.767 1.00 0.00 C ATOM 61 C CYS A 39 15.923 -0.326 1.288 1.00 0.00 C ATOM 62 O CYS A 39 15.460 0.769 0.962 1.00 0.00 O ATOM 63 CB CYS A 39 14.619 -1.142 3.319 1.00 0.00 C ATOM 64 SG CYS A 39 13.421 -1.700 2.085 1.00 0.00 S ATOM 0 HA CYS A 39 16.654 -1.604 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.760 -1.938 4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 39 14.196 -0.291 3.852 1.00 0.00 H new ATOM 0 HG CYS A 39 13.713 -2.911 1.714 1.00 0.00 H new ATOM 69 N PRO A 40 16.401 -1.196 0.377 1.00 0.00 N ATOM 70 CA PRO A 40 16.415 -0.917 -1.070 1.00 0.00 C ATOM 71 C PRO A 40 15.031 -0.934 -1.714 1.00 0.00 C ATOM 72 O PRO A 40 14.811 -0.301 -2.746 1.00 0.00 O ATOM 73 CB PRO A 40 17.272 -2.051 -1.637 1.00 0.00 C ATOM 74 CG PRO A 40 17.112 -3.165 -0.663 1.00 0.00 C ATOM 75 CD PRO A 40 16.988 -2.515 0.685 1.00 0.00 C ATOM 0 HA PRO A 40 16.794 0.085 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.936 -2.343 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.316 -1.751 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.229 -3.761 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.968 -3.839 -0.695 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.349 -3.093 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.957 -2.419 1.175 1.00 0.00 H new ATOM 83 N HIS A 41 14.106 -1.673 -1.121 1.00 0.00 N ATOM 84 CA HIS A 41 12.759 -1.778 -1.659 1.00 0.00 C ATOM 85 C HIS A 41 12.005 -0.450 -1.550 1.00 0.00 C ATOM 86 O HIS A 41 11.469 0.051 -2.539 1.00 0.00 O ATOM 87 CB HIS A 41 11.997 -2.885 -0.930 1.00 0.00 C ATOM 88 CG HIS A 41 12.800 -4.135 -0.736 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.262 -4.507 0.504 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.202 -5.052 -1.650 1.00 0.00 C ATOM 91 CE1 HIS A 41 13.929 -5.632 0.321 1.00 0.00 C ATOM 92 NE2 HIS A 41 13.920 -6.002 -0.969 1.00 0.00 N ATOM 0 H HIS A 41 14.264 -2.209 -0.267 1.00 0.00 H new ATOM 0 HA HIS A 41 12.834 -2.027 -2.718 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.676 -2.514 0.043 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.095 -3.126 -1.493 1.00 0.00 H new ATOM 0 HD2 HIS A 41 12.997 -5.037 -2.710 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.419 -6.184 1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.362 -6.831 -1.367 1.00 0.00 H new ATOM 100 N LEU A 42 11.956 0.103 -0.344 1.00 0.00 N ATOM 101 CA LEU A 42 11.255 1.360 -0.098 1.00 0.00 C ATOM 102 C LEU A 42 12.068 2.574 -0.547 1.00 0.00 C ATOM 103 O LEU A 42 11.508 3.548 -1.051 1.00 0.00 O ATOM 104 CB LEU A 42 10.916 1.487 1.387 1.00 0.00 C ATOM 105 CG LEU A 42 12.119 1.677 2.312 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.405 3.156 2.517 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.875 0.988 3.646 1.00 0.00 C ATOM 0 H LEU A 42 12.395 -0.301 0.483 1.00 0.00 H new ATOM 0 HA LEU A 42 10.339 1.341 -0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.239 2.331 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.375 0.593 1.698 1.00 0.00 H new ATOM 0 HG LEU A 42 12.992 1.222 1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.264 3.272 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.621 3.621 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.535 3.636 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.740 1.132 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.992 1.416 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.718 -0.078 3.482 1.00 0.00 H new ATOM 119 N ASP A 43 13.382 2.526 -0.354 1.00 0.00 N ATOM 120 CA ASP A 43 14.239 3.645 -0.737 1.00 0.00 C ATOM 121 C ASP A 43 14.131 3.945 -2.233 1.00 0.00 C ATOM 122 O ASP A 43 14.450 5.050 -2.675 1.00 0.00 O ATOM 123 CB ASP A 43 15.698 3.378 -0.339 1.00 0.00 C ATOM 124 CG ASP A 43 16.429 2.460 -1.301 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.676 2.423 -1.255 1.00 0.00 O ATOM 126 OD2 ASP A 43 15.756 1.780 -2.100 1.00 0.00 O ATOM 0 H ASP A 43 13.874 1.734 0.061 1.00 0.00 H new ATOM 0 HA ASP A 43 13.892 4.526 -0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 43 16.230 4.328 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 43 15.720 2.938 0.658 1.00 0.00 H new ATOM 131 N SER A 44 13.689 2.959 -3.010 1.00 0.00 N ATOM 132 CA SER A 44 13.552 3.127 -4.453 1.00 0.00 C ATOM 133 C SER A 44 12.227 3.793 -4.813 1.00 0.00 C ATOM 134 O SER A 44 12.180 4.680 -5.666 1.00 0.00 O ATOM 135 CB SER A 44 13.662 1.773 -5.157 1.00 0.00 C ATOM 136 OG SER A 44 14.860 1.108 -4.800 1.00 0.00 O ATOM 0 H SER A 44 13.420 2.038 -2.665 1.00 0.00 H new ATOM 0 HA SER A 44 14.360 3.776 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.806 1.152 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.631 1.918 -6.237 1.00 0.00 H new ATOM 0 HG SER A 44 14.855 0.920 -3.838 1.00 0.00 H new ATOM 142 N VAL A 45 11.151 3.361 -4.163 1.00 0.00 N ATOM 143 CA VAL A 45 9.829 3.920 -4.423 1.00 0.00 C ATOM 144 C VAL A 45 9.732 5.361 -3.932 1.00 0.00 C ATOM 145 O VAL A 45 10.239 5.698 -2.862 1.00 0.00 O ATOM 146 CB VAL A 45 8.720 3.086 -3.754 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.692 1.677 -4.324 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.910 3.053 -2.246 1.00 0.00 C ATOM 0 H VAL A 45 11.168 2.628 -3.454 1.00 0.00 H new ATOM 0 HA VAL A 45 9.687 3.897 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 45 7.761 3.559 -3.966 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.902 1.104 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.501 1.722 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.653 1.193 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.117 2.459 -1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.877 2.608 -2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.873 4.069 -1.852 1.00 0.00 H new ATOM 158 N GLY A 46 9.080 6.208 -4.722 1.00 0.00 N ATOM 159 CA GLY A 46 8.929 7.603 -4.351 1.00 0.00 C ATOM 160 C GLY A 46 7.853 7.810 -3.304 1.00 0.00 C ATOM 161 O GLY A 46 7.761 7.053 -2.338 1.00 0.00 O ATOM 0 H GLY A 46 8.653 5.953 -5.613 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.879 7.980 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.686 8.188 -5.238 1.00 0.00 H new ATOM 165 N GLU A 47 7.034 8.839 -3.497 1.00 0.00 N ATOM 166 CA GLU A 47 5.956 9.144 -2.562 1.00 0.00 C ATOM 167 C GLU A 47 4.699 9.582 -3.306 1.00 0.00 C ATOM 168 O GLU A 47 4.762 9.987 -4.467 1.00 0.00 O ATOM 169 CB GLU A 47 6.393 10.237 -1.585 1.00 0.00 C ATOM 170 CG GLU A 47 5.884 10.024 -0.167 1.00 0.00 C ATOM 171 CD GLU A 47 6.153 11.214 0.734 1.00 0.00 C ATOM 172 OE1 GLU A 47 6.524 10.998 1.907 1.00 0.00 O ATOM 173 OE2 GLU A 47 5.992 12.361 0.267 1.00 0.00 O ATOM 0 H GLU A 47 7.096 9.475 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 47 5.727 8.237 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.482 10.284 -1.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.038 11.201 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.812 9.829 -0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.358 9.138 0.256 1.00 0.00 H new ATOM 180 N ILE A 48 3.558 9.498 -2.630 1.00 0.00 N ATOM 181 CA ILE A 48 2.286 9.886 -3.228 1.00 0.00 C ATOM 182 C ILE A 48 1.787 11.207 -2.652 1.00 0.00 C ATOM 183 O ILE A 48 2.050 11.530 -1.494 1.00 0.00 O ATOM 184 CB ILE A 48 1.208 8.807 -3.006 1.00 0.00 C ATOM 185 CG1 ILE A 48 1.750 7.427 -3.385 1.00 0.00 C ATOM 186 CG2 ILE A 48 -0.040 9.132 -3.813 1.00 0.00 C ATOM 187 CD1 ILE A 48 0.754 6.308 -3.172 1.00 0.00 C ATOM 0 H ILE A 48 3.488 9.165 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 48 2.463 10.001 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 48 0.941 8.793 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.052 7.439 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.645 7.223 -2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.792 8.361 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.435 10.098 -3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.212 9.170 -4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.206 5.359 -3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.470 6.269 -2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.132 6.489 -3.781 1.00 0.00 H new ATOM 199 N THR A 49 1.066 11.968 -3.469 1.00 0.00 N ATOM 200 CA THR A 49 0.530 13.254 -3.040 1.00 0.00 C ATOM 201 C THR A 49 -0.694 13.059 -2.152 1.00 0.00 C ATOM 202 O THR A 49 -1.324 12.002 -2.168 1.00 0.00 O ATOM 203 CB THR A 49 0.166 14.110 -4.253 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.963 13.576 -4.924 1.00 0.00 O ATOM 205 CG2 THR A 49 1.286 14.226 -5.263 1.00 0.00 C ATOM 0 H THR A 49 0.840 11.716 -4.431 1.00 0.00 H new ATOM 0 HA THR A 49 1.299 13.768 -2.463 1.00 0.00 H new ATOM 0 HB THR A 49 -0.044 15.102 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.181 14.139 -5.696 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.960 14.847 -6.098 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.156 14.681 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.550 13.234 -5.630 1.00 0.00 H new ATOM 213 N LYS A 50 -1.026 14.087 -1.377 1.00 0.00 N ATOM 214 CA LYS A 50 -2.175 14.027 -0.481 1.00 0.00 C ATOM 215 C LYS A 50 -3.461 13.768 -1.260 1.00 0.00 C ATOM 216 O LYS A 50 -4.319 13.003 -0.822 1.00 0.00 O ATOM 217 CB LYS A 50 -2.299 15.328 0.315 1.00 0.00 C ATOM 218 CG LYS A 50 -2.114 16.581 -0.528 1.00 0.00 C ATOM 219 CD LYS A 50 -3.355 17.458 -0.509 1.00 0.00 C ATOM 220 CE LYS A 50 -3.433 18.285 0.766 1.00 0.00 C ATOM 221 NZ LYS A 50 -4.831 18.411 1.262 1.00 0.00 N ATOM 0 H LYS A 50 -0.516 14.970 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.019 13.200 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.280 15.361 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.558 15.326 1.115 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.261 17.148 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.884 16.298 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.347 18.121 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.244 16.834 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.815 17.824 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.023 19.278 0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.841 18.981 2.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.416 18.874 0.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.214 17.466 1.464 1.00 0.00 H new ATOM 235 N GLU A 51 -3.587 14.410 -2.416 1.00 0.00 N ATOM 236 CA GLU A 51 -4.769 14.249 -3.255 1.00 0.00 C ATOM 237 C GLU A 51 -4.963 12.790 -3.654 1.00 0.00 C ATOM 238 O GLU A 51 -6.089 12.296 -3.710 1.00 0.00 O ATOM 239 CB GLU A 51 -4.653 15.119 -4.508 1.00 0.00 C ATOM 240 CG GLU A 51 -4.565 16.608 -4.208 1.00 0.00 C ATOM 241 CD GLU A 51 -5.817 17.360 -4.617 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.070 17.473 -5.835 1.00 0.00 O ATOM 243 OE2 GLU A 51 -6.543 17.836 -3.720 1.00 0.00 O ATOM 0 H GLU A 51 -2.885 15.047 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.637 14.566 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.769 14.817 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.516 14.936 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.392 16.750 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.706 17.030 -4.729 1.00 0.00 H new ATOM 250 N ASP A 52 -3.859 12.102 -3.929 1.00 0.00 N ATOM 251 CA ASP A 52 -3.913 10.699 -4.322 1.00 0.00 C ATOM 252 C ASP A 52 -4.268 9.814 -3.132 1.00 0.00 C ATOM 253 O ASP A 52 -5.081 8.897 -3.249 1.00 0.00 O ATOM 254 CB ASP A 52 -2.574 10.263 -4.917 1.00 0.00 C ATOM 255 CG ASP A 52 -2.496 10.511 -6.411 1.00 0.00 C ATOM 256 OD1 ASP A 52 -2.543 9.527 -7.179 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.391 11.690 -6.812 1.00 0.00 O ATOM 0 H ASP A 52 -2.918 12.493 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.691 10.588 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.767 10.800 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.420 9.202 -4.719 1.00 0.00 H new ATOM 262 N LEU A 53 -3.654 10.093 -1.987 1.00 0.00 N ATOM 263 CA LEU A 53 -3.907 9.320 -0.776 1.00 0.00 C ATOM 264 C LEU A 53 -5.318 9.573 -0.254 1.00 0.00 C ATOM 265 O LEU A 53 -5.941 8.686 0.330 1.00 0.00 O ATOM 266 CB LEU A 53 -2.877 9.662 0.304 1.00 0.00 C ATOM 267 CG LEU A 53 -1.475 9.090 0.071 1.00 0.00 C ATOM 268 CD1 LEU A 53 -0.594 9.317 1.291 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.548 7.606 -0.263 1.00 0.00 C ATOM 0 H LEU A 53 -2.978 10.848 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.816 8.263 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.801 10.747 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.246 9.299 1.263 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.031 9.612 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.397 8.904 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.511 10.386 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.037 8.824 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.542 7.220 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.014 7.070 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.140 7.465 -1.167 1.00 0.00 H new ATOM 281 N ILE A 54 -5.819 10.786 -0.469 1.00 0.00 N ATOM 282 CA ILE A 54 -7.159 11.151 -0.020 1.00 0.00 C ATOM 283 C ILE A 54 -8.203 10.190 -0.586 1.00 0.00 C ATOM 284 O ILE A 54 -9.071 9.706 0.139 1.00 0.00 O ATOM 285 CB ILE A 54 -7.508 12.604 -0.423 1.00 0.00 C ATOM 286 CG1 ILE A 54 -6.755 13.594 0.468 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.009 12.854 -0.336 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.448 14.910 -0.213 1.00 0.00 C ATOM 0 H ILE A 54 -5.318 11.532 -0.951 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.170 11.082 1.068 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.201 12.751 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.346 13.787 1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.821 13.137 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.224 13.883 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.531 12.172 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.347 12.686 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.913 15.561 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.830 14.729 -1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.379 15.389 -0.516 1.00 0.00 H new ATOM 300 N GLN A 55 -8.111 9.913 -1.883 1.00 0.00 N ATOM 301 CA GLN A 55 -9.047 9.003 -2.535 1.00 0.00 C ATOM 302 C GLN A 55 -8.908 7.600 -1.964 1.00 0.00 C ATOM 303 O GLN A 55 -9.902 6.916 -1.716 1.00 0.00 O ATOM 304 CB GLN A 55 -8.811 8.986 -4.048 1.00 0.00 C ATOM 305 CG GLN A 55 -10.089 9.092 -4.864 1.00 0.00 C ATOM 306 CD GLN A 55 -10.308 10.483 -5.426 1.00 0.00 C ATOM 307 OE1 GLN A 55 -9.509 11.392 -5.194 1.00 0.00 O ATOM 308 NE2 GLN A 55 -11.394 10.657 -6.169 1.00 0.00 N ATOM 0 H GLN A 55 -7.400 10.304 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.060 9.357 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.151 9.811 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.294 8.065 -4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.053 8.374 -5.684 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.939 8.819 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.029 9.876 -6.335 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.594 11.572 -6.574 1.00 0.00 H new ATOM 317 N LYS A 56 -7.670 7.183 -1.742 1.00 0.00 N ATOM 318 CA LYS A 56 -7.401 5.868 -1.179 1.00 0.00 C ATOM 319 C LYS A 56 -7.855 5.825 0.275 1.00 0.00 C ATOM 320 O LYS A 56 -8.286 4.786 0.777 1.00 0.00 O ATOM 321 CB LYS A 56 -5.910 5.541 -1.276 1.00 0.00 C ATOM 322 CG LYS A 56 -5.321 5.775 -2.657 1.00 0.00 C ATOM 323 CD LYS A 56 -3.803 5.731 -2.630 1.00 0.00 C ATOM 324 CE LYS A 56 -3.238 5.192 -3.935 1.00 0.00 C ATOM 325 NZ LYS A 56 -1.884 4.599 -3.751 1.00 0.00 N ATOM 0 H LYS A 56 -6.837 7.736 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.956 5.122 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.366 6.147 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.757 4.498 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.696 5.018 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.651 6.742 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.412 6.732 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.471 5.105 -1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.913 4.437 -4.339 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.185 5.997 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.252 4.937 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.503 4.883 -2.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.950 3.562 -3.795 1.00 0.00 H new ATOM 339 N SER A 57 -7.757 6.971 0.943 1.00 0.00 N ATOM 340 CA SER A 57 -8.154 7.091 2.339 1.00 0.00 C ATOM 341 C SER A 57 -9.674 7.030 2.493 1.00 0.00 C ATOM 342 O SER A 57 -10.184 6.891 3.604 1.00 0.00 O ATOM 343 CB SER A 57 -7.621 8.397 2.932 1.00 0.00 C ATOM 344 OG SER A 57 -8.498 9.478 2.666 1.00 0.00 O ATOM 0 H SER A 57 -7.403 7.836 0.534 1.00 0.00 H new ATOM 0 HA SER A 57 -7.724 6.249 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.494 8.285 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.637 8.613 2.516 1.00 0.00 H new ATOM 0 HG SER A 57 -8.894 9.367 1.777 1.00 0.00 H new ATOM 350 N LEU A 58 -10.399 7.141 1.379 1.00 0.00 N ATOM 351 CA LEU A 58 -11.856 7.102 1.422 1.00 0.00 C ATOM 352 C LEU A 58 -12.350 5.762 1.962 1.00 0.00 C ATOM 353 O LEU A 58 -13.489 5.650 2.418 1.00 0.00 O ATOM 354 CB LEU A 58 -12.437 7.351 0.028 1.00 0.00 C ATOM 355 CG LEU A 58 -12.505 8.820 -0.391 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.598 8.939 -1.904 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.689 9.509 0.273 1.00 0.00 C ATOM 0 H LEU A 58 -10.003 7.257 0.446 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.195 7.890 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.836 6.808 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.442 6.931 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.591 9.315 -0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.646 9.991 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.720 8.482 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.496 8.429 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.722 10.554 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.613 9.013 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.581 9.455 1.356 1.00 0.00 H new ATOM 369 N GLY A 59 -11.484 4.751 1.928 1.00 0.00 N ATOM 370 CA GLY A 59 -11.854 3.444 2.439 1.00 0.00 C ATOM 371 C GLY A 59 -12.523 2.559 1.404 1.00 0.00 C ATOM 372 O GLY A 59 -13.591 2.007 1.658 1.00 0.00 O ATOM 0 H GLY A 59 -10.536 4.815 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.961 2.942 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.527 3.571 3.287 1.00 0.00 H new ATOM 376 N THR A 60 -11.894 2.413 0.243 1.00 0.00 N ATOM 377 CA THR A 60 -12.445 1.573 -0.815 1.00 0.00 C ATOM 378 C THR A 60 -11.335 0.855 -1.580 1.00 0.00 C ATOM 379 O THR A 60 -10.297 1.442 -1.883 1.00 0.00 O ATOM 380 CB THR A 60 -13.286 2.412 -1.778 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.793 3.738 -1.850 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.746 2.484 -1.388 1.00 0.00 C ATOM 0 H THR A 60 -11.008 2.862 0.011 1.00 0.00 H new ATOM 0 HA THR A 60 -13.082 0.821 -0.349 1.00 0.00 H new ATOM 0 HB THR A 60 -13.209 1.910 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.343 4.258 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.286 3.094 -2.112 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.168 1.479 -1.373 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.837 2.931 -0.398 1.00 0.00 H new ATOM 390 N CYS A 61 -11.565 -0.419 -1.890 1.00 0.00 N ATOM 391 CA CYS A 61 -10.587 -1.217 -2.623 1.00 0.00 C ATOM 392 C CYS A 61 -10.767 -1.051 -4.129 1.00 0.00 C ATOM 393 O CYS A 61 -11.887 -1.089 -4.638 1.00 0.00 O ATOM 394 CB CYS A 61 -10.711 -2.693 -2.238 1.00 0.00 C ATOM 395 SG CYS A 61 -9.307 -3.712 -2.749 1.00 0.00 S ATOM 0 H CYS A 61 -12.419 -0.920 -1.645 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.591 -0.863 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.825 -2.767 -1.156 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.620 -3.098 -2.682 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.100 -4.641 -1.863 1.00 0.00 H new ATOM 400 N GLN A 62 -9.658 -0.868 -4.836 1.00 0.00 N ATOM 401 CA GLN A 62 -9.693 -0.696 -6.285 1.00 0.00 C ATOM 402 C GLN A 62 -9.901 -2.030 -7.004 1.00 0.00 C ATOM 403 O GLN A 62 -10.039 -2.067 -8.226 1.00 0.00 O ATOM 404 CB GLN A 62 -8.399 -0.038 -6.770 1.00 0.00 C ATOM 405 CG GLN A 62 -8.629 1.107 -7.745 1.00 0.00 C ATOM 406 CD GLN A 62 -7.857 2.357 -7.368 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.660 2.301 -7.090 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.543 3.496 -7.359 1.00 0.00 N ATOM 0 H GLN A 62 -8.723 -0.835 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.539 -0.050 -6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.845 0.335 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.774 -0.792 -7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.336 0.791 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.693 1.339 -7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.535 3.496 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.077 4.370 -7.115 1.00 0.00 H new ATOM 417 N ASP A 63 -9.919 -3.125 -6.245 1.00 0.00 N ATOM 418 CA ASP A 63 -10.107 -4.451 -6.825 1.00 0.00 C ATOM 419 C ASP A 63 -11.481 -5.016 -6.474 1.00 0.00 C ATOM 420 O ASP A 63 -12.235 -5.427 -7.355 1.00 0.00 O ATOM 421 CB ASP A 63 -9.013 -5.403 -6.336 1.00 0.00 C ATOM 422 CG ASP A 63 -8.793 -6.565 -7.285 1.00 0.00 C ATOM 423 OD1 ASP A 63 -9.789 -7.080 -7.834 1.00 0.00 O ATOM 424 OD2 ASP A 63 -7.623 -6.959 -7.479 1.00 0.00 O ATOM 0 H ASP A 63 -9.806 -3.119 -5.231 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.042 -4.355 -7.909 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.080 -4.851 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.282 -5.787 -5.352 1.00 0.00 H new ATOM 429 N CYS A 64 -11.798 -5.036 -5.183 1.00 0.00 N ATOM 430 CA CYS A 64 -13.081 -5.554 -4.720 1.00 0.00 C ATOM 431 C CYS A 64 -13.957 -4.432 -4.173 1.00 0.00 C ATOM 432 O CYS A 64 -13.622 -3.254 -4.300 1.00 0.00 O ATOM 433 CB CYS A 64 -12.864 -6.625 -3.648 1.00 0.00 C ATOM 434 SG CYS A 64 -12.020 -6.027 -2.166 1.00 0.00 S ATOM 0 H CYS A 64 -11.185 -4.700 -4.440 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.593 -6.003 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.831 -7.037 -3.361 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.285 -7.442 -4.078 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.017 -5.275 -2.511 1.00 0.00 H new ATOM 439 N LYS A 65 -15.083 -4.803 -3.570 1.00 0.00 N ATOM 440 CA LYS A 65 -16.008 -3.823 -3.012 1.00 0.00 C ATOM 441 C LYS A 65 -16.018 -3.877 -1.486 1.00 0.00 C ATOM 442 O LYS A 65 -17.027 -4.226 -0.872 1.00 0.00 O ATOM 443 CB LYS A 65 -17.420 -4.062 -3.552 1.00 0.00 C ATOM 444 CG LYS A 65 -17.695 -3.356 -4.870 1.00 0.00 C ATOM 445 CD LYS A 65 -18.814 -4.036 -5.645 1.00 0.00 C ATOM 446 CE LYS A 65 -20.117 -3.261 -5.540 1.00 0.00 C ATOM 447 NZ LYS A 65 -21.286 -4.163 -5.340 1.00 0.00 N ATOM 0 H LYS A 65 -15.376 -5.773 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.670 -2.832 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.573 -5.133 -3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -18.145 -3.726 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.963 -2.317 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.788 -3.345 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -18.528 -4.128 -6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -18.959 -5.047 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -20.055 -2.558 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -20.263 -2.673 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.155 -3.595 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -21.361 -4.818 -6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -21.159 -4.706 -4.462 1.00 0.00 H new ATOM 529 N LEU A 71 -7.242 -0.103 5.236 1.00 0.00 N ATOM 530 CA LEU A 71 -6.991 -0.275 3.811 1.00 0.00 C ATOM 531 C LEU A 71 -5.536 0.037 3.478 1.00 0.00 C ATOM 532 O LEU A 71 -4.917 0.903 4.097 1.00 0.00 O ATOM 533 CB LEU A 71 -7.923 0.619 2.990 1.00 0.00 C ATOM 534 CG LEU A 71 -9.089 -0.108 2.319 1.00 0.00 C ATOM 535 CD1 LEU A 71 -9.873 0.846 1.433 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.584 -1.294 1.510 1.00 0.00 C ATOM 0 HA LEU A 71 -7.189 -1.316 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.325 1.395 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.336 1.121 2.221 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.755 -0.481 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.699 0.311 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.267 1.663 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.217 1.249 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.428 -1.799 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.896 -0.943 0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.066 -1.990 2.170 1.00 0.00 H new ATOM 548 N TRP A 72 -4.993 -0.677 2.497 1.00 0.00 N ATOM 549 CA TRP A 72 -3.609 -0.482 2.087 1.00 0.00 C ATOM 550 C TRP A 72 -3.524 0.047 0.659 1.00 0.00 C ATOM 551 O TRP A 72 -4.365 -0.267 -0.183 1.00 0.00 O ATOM 552 CB TRP A 72 -2.835 -1.794 2.205 1.00 0.00 C ATOM 553 CG TRP A 72 -2.872 -2.383 3.581 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.982 -2.763 4.281 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.750 -2.655 4.429 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.618 -3.255 5.511 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.254 -3.200 5.625 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.370 -2.492 4.291 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.424 -3.583 6.676 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.453 -2.871 5.335 1.00 0.00 C ATOM 561 CH2 TRP A 72 -0.076 -3.412 6.514 1.00 0.00 C ATOM 0 H TRP A 72 -5.491 -1.396 1.972 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.164 0.260 2.750 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.246 -2.515 1.498 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -1.797 -1.622 1.919 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -4.997 -2.688 3.920 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.259 -3.604 6.223 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.047 -2.077 3.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.830 -4.000 7.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.522 -2.748 5.240 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.593 -3.700 7.311 1.00 0.00 H new ATOM 572 N ALA A 73 -2.499 0.849 0.396 1.00 0.00 N ATOM 573 CA ALA A 73 -2.298 1.422 -0.929 1.00 0.00 C ATOM 574 C ALA A 73 -0.846 1.272 -1.370 1.00 0.00 C ATOM 575 O ALA A 73 0.075 1.408 -0.564 1.00 0.00 O ATOM 576 CB ALA A 73 -2.706 2.886 -0.940 1.00 0.00 C ATOM 0 H ALA A 73 -1.794 1.117 1.083 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.927 0.879 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.550 3.300 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.759 2.972 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.102 3.437 -0.220 1.00 0.00 H new ATOM 582 N CYS A 74 -0.647 0.991 -2.653 1.00 0.00 N ATOM 583 CA CYS A 74 0.696 0.822 -3.198 1.00 0.00 C ATOM 584 C CYS A 74 1.551 2.056 -2.926 1.00 0.00 C ATOM 585 O CYS A 74 1.117 3.186 -3.147 1.00 0.00 O ATOM 586 CB CYS A 74 0.628 0.547 -4.701 1.00 0.00 C ATOM 587 SG CYS A 74 2.187 -0.030 -5.409 1.00 0.00 S ATOM 0 H CYS A 74 -1.397 0.875 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 74 1.160 -0.032 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.144 -0.199 -4.890 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.322 1.459 -5.214 1.00 0.00 H new ATOM 0 HG CYS A 74 2.236 -1.328 -5.350 1.00 0.00 H new ATOM 592 N LEU A 75 2.766 1.832 -2.430 1.00 0.00 N ATOM 593 CA LEU A 75 3.676 2.928 -2.113 1.00 0.00 C ATOM 594 C LEU A 75 4.437 3.410 -3.347 1.00 0.00 C ATOM 595 O LEU A 75 4.960 4.524 -3.363 1.00 0.00 O ATOM 596 CB LEU A 75 4.665 2.495 -1.032 1.00 0.00 C ATOM 597 CG LEU A 75 5.293 3.636 -0.233 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.321 4.147 0.819 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.593 3.180 0.414 1.00 0.00 C ATOM 0 H LEU A 75 3.142 0.903 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 75 3.073 3.759 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.153 1.826 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.463 1.919 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 75 5.519 4.454 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.785 4.959 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.417 4.512 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.064 3.337 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.027 4.005 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.392 2.346 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.292 2.862 -0.359 1.00 0.00 H new ATOM 611 N GLU A 76 4.503 2.572 -4.379 1.00 0.00 N ATOM 612 CA GLU A 76 5.208 2.931 -5.608 1.00 0.00 C ATOM 613 C GLU A 76 4.708 4.266 -6.152 1.00 0.00 C ATOM 614 O GLU A 76 3.506 4.470 -6.315 1.00 0.00 O ATOM 615 CB GLU A 76 5.030 1.835 -6.661 1.00 0.00 C ATOM 616 CG GLU A 76 5.834 2.072 -7.928 1.00 0.00 C ATOM 617 CD GLU A 76 7.330 2.033 -7.686 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.857 0.938 -7.397 1.00 0.00 O ATOM 619 OE2 GLU A 76 7.975 3.099 -7.782 1.00 0.00 O ATOM 0 H GLU A 76 4.079 1.644 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 76 6.268 3.030 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.322 0.877 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.974 1.760 -6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.570 1.317 -8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.563 3.040 -8.350 1.00 0.00 H new ATOM 626 N ASN A 77 5.638 5.176 -6.423 1.00 0.00 N ATOM 627 CA ASN A 77 5.291 6.496 -6.940 1.00 0.00 C ATOM 628 C ASN A 77 4.572 6.393 -8.281 1.00 0.00 C ATOM 629 O ASN A 77 3.613 7.120 -8.541 1.00 0.00 O ATOM 630 CB ASN A 77 6.548 7.355 -7.089 1.00 0.00 C ATOM 631 CG ASN A 77 6.238 8.763 -7.528 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.079 9.132 -7.719 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.282 9.557 -7.693 1.00 0.00 N ATOM 0 H ASN A 77 6.638 5.024 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 77 4.616 6.967 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.079 7.383 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.217 6.891 -7.814 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.146 10.523 -7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.223 9.204 -7.522 1.00 0.00 H new ATOM 640 N ARG A 78 5.045 5.489 -9.130 1.00 0.00 N ATOM 641 CA ARG A 78 4.453 5.293 -10.448 1.00 0.00 C ATOM 642 C ARG A 78 3.161 4.481 -10.367 1.00 0.00 C ATOM 643 O ARG A 78 2.367 4.472 -11.307 1.00 0.00 O ATOM 644 CB ARG A 78 5.448 4.592 -11.376 1.00 0.00 C ATOM 645 CG ARG A 78 6.601 5.482 -11.814 1.00 0.00 C ATOM 646 CD ARG A 78 6.286 6.197 -13.118 1.00 0.00 C ATOM 647 NE ARG A 78 6.684 5.411 -14.284 1.00 0.00 N ATOM 648 CZ ARG A 78 7.937 5.316 -14.722 1.00 0.00 C ATOM 649 NH1 ARG A 78 8.916 5.955 -14.095 1.00 0.00 N ATOM 650 NH2 ARG A 78 8.211 4.579 -15.789 1.00 0.00 N ATOM 0 H ARG A 78 5.838 4.879 -8.929 1.00 0.00 H new ATOM 0 HA ARG A 78 4.211 6.276 -10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.849 3.715 -10.869 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.919 4.235 -12.260 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.811 6.216 -11.036 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.501 4.880 -11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.217 6.405 -13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.799 7.159 -13.137 1.00 0.00 H new ATOM 0 HE ARG A 78 5.958 4.905 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.710 6.523 -13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.875 5.879 -14.435 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.462 4.085 -16.274 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.171 4.506 -16.125 1.00 0.00 H new ATOM 664 N CYS A 79 2.956 3.795 -9.245 1.00 0.00 N ATOM 665 CA CYS A 79 1.761 2.979 -9.060 1.00 0.00 C ATOM 666 C CYS A 79 0.809 3.612 -8.050 1.00 0.00 C ATOM 667 O CYS A 79 1.193 3.908 -6.918 1.00 0.00 O ATOM 668 CB CYS A 79 2.146 1.573 -8.599 1.00 0.00 C ATOM 669 SG CYS A 79 1.034 0.272 -9.183 1.00 0.00 S ATOM 0 H CYS A 79 3.600 3.788 -8.454 1.00 0.00 H new ATOM 0 HA CYS A 79 1.248 2.916 -10.020 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.157 1.354 -8.944 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.169 1.554 -7.509 1.00 0.00 H new ATOM 0 HG CYS A 79 1.037 -0.714 -8.336 1.00 0.00 H new ATOM 674 N SER A 80 -0.439 3.806 -8.464 1.00 0.00 N ATOM 675 CA SER A 80 -1.453 4.392 -7.596 1.00 0.00 C ATOM 676 C SER A 80 -2.679 3.488 -7.523 1.00 0.00 C ATOM 677 O SER A 80 -3.734 3.807 -8.074 1.00 0.00 O ATOM 678 CB SER A 80 -1.853 5.779 -8.106 1.00 0.00 C ATOM 679 OG SER A 80 -2.630 5.684 -9.287 1.00 0.00 O ATOM 0 H SER A 80 -0.772 3.565 -9.397 1.00 0.00 H new ATOM 0 HA SER A 80 -1.033 4.493 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.419 6.304 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.958 6.370 -8.302 1.00 0.00 H new ATOM 0 HG SER A 80 -3.444 5.171 -9.102 1.00 0.00 H new ATOM 685 N TYR A 81 -2.529 2.352 -6.851 1.00 0.00 N ATOM 686 CA TYR A 81 -3.619 1.393 -6.717 1.00 0.00 C ATOM 687 C TYR A 81 -4.007 1.193 -5.255 1.00 0.00 C ATOM 688 O TYR A 81 -3.167 1.281 -4.359 1.00 0.00 O ATOM 689 CB TYR A 81 -3.217 0.053 -7.337 1.00 0.00 C ATOM 690 CG TYR A 81 -3.808 -0.181 -8.709 1.00 0.00 C ATOM 691 CD1 TYR A 81 -5.172 -0.039 -8.931 1.00 0.00 C ATOM 692 CD2 TYR A 81 -3.003 -0.544 -9.781 1.00 0.00 C ATOM 693 CE1 TYR A 81 -5.717 -0.252 -10.184 1.00 0.00 C ATOM 694 CE2 TYR A 81 -3.540 -0.758 -11.036 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.897 -0.611 -11.233 1.00 0.00 C ATOM 696 OH TYR A 81 -5.435 -0.823 -12.481 1.00 0.00 O ATOM 0 H TYR A 81 -1.663 2.073 -6.390 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.485 1.793 -7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.130 0.006 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.530 -0.753 -6.674 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.817 0.242 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.940 -0.661 -9.631 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.780 -0.138 -10.340 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.900 -1.039 -11.859 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.722 -1.068 -13.107 1.00 0.00 H new ATOM 706 N VAL A 82 -5.286 0.912 -5.027 1.00 0.00 N ATOM 707 CA VAL A 82 -5.795 0.688 -3.678 1.00 0.00 C ATOM 708 C VAL A 82 -6.121 -0.786 -3.465 1.00 0.00 C ATOM 709 O VAL A 82 -6.813 -1.400 -4.278 1.00 0.00 O ATOM 710 CB VAL A 82 -7.060 1.525 -3.403 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.377 1.540 -1.915 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.895 2.940 -3.936 1.00 0.00 C ATOM 0 H VAL A 82 -5.990 0.834 -5.761 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.012 0.997 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.898 1.063 -3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.273 2.136 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.546 0.520 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.540 1.975 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.799 3.514 -3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.045 3.416 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.723 2.906 -5.012 1.00 0.00 H new ATOM 722 N GLY A 83 -5.617 -1.353 -2.374 1.00 0.00 N ATOM 723 CA GLY A 83 -5.869 -2.752 -2.089 1.00 0.00 C ATOM 724 C GLY A 83 -6.143 -3.014 -0.622 1.00 0.00 C ATOM 725 O GLY A 83 -5.830 -2.188 0.235 1.00 0.00 O ATOM 0 H GLY A 83 -5.041 -0.870 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.721 -3.090 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.009 -3.343 -2.404 1.00 0.00 H new ATOM 729 N CYS A 84 -6.725 -4.172 -0.333 1.00 0.00 N ATOM 730 CA CYS A 84 -7.042 -4.550 1.037 1.00 0.00 C ATOM 731 C CYS A 84 -6.036 -5.574 1.558 1.00 0.00 C ATOM 732 O CYS A 84 -5.557 -6.425 0.808 1.00 0.00 O ATOM 733 CB CYS A 84 -8.458 -5.120 1.118 1.00 0.00 C ATOM 734 SG CYS A 84 -8.759 -6.510 0.003 1.00 0.00 S ATOM 0 H CYS A 84 -6.987 -4.867 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.985 -3.657 1.660 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.651 -5.441 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -9.171 -4.327 0.893 1.00 0.00 H new ATOM 0 HG CYS A 84 -9.832 -6.282 -0.695 1.00 0.00 H new ATOM 739 N GLY A 85 -5.717 -5.481 2.846 1.00 0.00 N ATOM 740 CA GLY A 85 -4.764 -6.398 3.443 1.00 0.00 C ATOM 741 C GLY A 85 -5.380 -7.737 3.802 1.00 0.00 C ATOM 742 O GLY A 85 -6.410 -8.124 3.251 1.00 0.00 O ATOM 0 H GLY A 85 -6.102 -4.787 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.938 -6.558 2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.344 -5.944 4.341 1.00 0.00 H new ATOM 746 N GLU A 86 -4.741 -8.446 4.729 1.00 0.00 N ATOM 747 CA GLU A 86 -5.222 -9.754 5.166 1.00 0.00 C ATOM 748 C GLU A 86 -6.624 -9.659 5.766 1.00 0.00 C ATOM 749 O GLU A 86 -7.329 -10.663 5.877 1.00 0.00 O ATOM 750 CB GLU A 86 -4.254 -10.355 6.192 1.00 0.00 C ATOM 751 CG GLU A 86 -3.633 -11.669 5.745 1.00 0.00 C ATOM 752 CD GLU A 86 -2.650 -12.222 6.759 1.00 0.00 C ATOM 753 OE1 GLU A 86 -3.078 -13.002 7.635 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.453 -11.875 6.675 1.00 0.00 O ATOM 0 H GLU A 86 -3.887 -8.136 5.193 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.271 -10.403 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.459 -9.637 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.785 -10.514 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.423 -12.400 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.123 -11.521 4.793 1.00 0.00 H new ATOM 761 N SER A 87 -7.025 -8.451 6.153 1.00 0.00 N ATOM 762 CA SER A 87 -8.342 -8.237 6.740 1.00 0.00 C ATOM 763 C SER A 87 -9.452 -8.593 5.753 1.00 0.00 C ATOM 764 O SER A 87 -10.600 -8.799 6.149 1.00 0.00 O ATOM 765 CB SER A 87 -8.490 -6.781 7.190 1.00 0.00 C ATOM 766 OG SER A 87 -8.419 -6.674 8.601 1.00 0.00 O ATOM 0 H SER A 87 -6.457 -7.608 6.070 1.00 0.00 H new ATOM 0 HA SER A 87 -8.434 -8.892 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.706 -6.175 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.443 -6.384 6.839 1.00 0.00 H new ATOM 0 HG SER A 87 -8.514 -5.735 8.863 1.00 0.00 H new ATOM 772 N GLN A 88 -9.109 -8.663 4.470 1.00 0.00 N ATOM 773 CA GLN A 88 -10.085 -8.993 3.438 1.00 0.00 C ATOM 774 C GLN A 88 -9.611 -10.167 2.586 1.00 0.00 C ATOM 775 O GLN A 88 -10.059 -11.299 2.772 1.00 0.00 O ATOM 776 CB GLN A 88 -10.350 -7.775 2.551 1.00 0.00 C ATOM 777 CG GLN A 88 -11.451 -6.869 3.076 1.00 0.00 C ATOM 778 CD GLN A 88 -12.789 -7.574 3.172 1.00 0.00 C ATOM 779 OE1 GLN A 88 -13.460 -7.522 4.203 1.00 0.00 O ATOM 780 NE2 GLN A 88 -13.185 -8.239 2.093 1.00 0.00 N ATOM 0 H GLN A 88 -8.165 -8.496 4.121 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.012 -9.284 3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.430 -7.198 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.617 -8.116 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.170 -6.495 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.547 -6.003 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.597 -8.256 1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -14.077 -8.733 2.097 1.00 0.00 H new ATOM 789 N VAL A 89 -8.709 -9.894 1.646 1.00 0.00 N ATOM 790 CA VAL A 89 -8.189 -10.936 0.766 1.00 0.00 C ATOM 791 C VAL A 89 -6.707 -10.729 0.458 1.00 0.00 C ATOM 792 O VAL A 89 -6.180 -11.304 -0.496 1.00 0.00 O ATOM 793 CB VAL A 89 -8.967 -10.989 -0.563 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.612 -12.248 -1.343 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.467 -10.912 -0.311 1.00 0.00 C ATOM 0 H VAL A 89 -8.325 -8.965 1.475 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.315 -11.878 1.299 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.680 -10.126 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.172 -12.267 -2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.544 -12.253 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.866 -13.127 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.998 -10.951 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.775 -11.752 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.703 -9.978 0.198 1.00 0.00 H new ATOM 805 N ASP A 90 -6.034 -9.909 1.263 1.00 0.00 N ATOM 806 CA ASP A 90 -4.613 -9.639 1.061 1.00 0.00 C ATOM 807 C ASP A 90 -4.342 -9.186 -0.373 1.00 0.00 C ATOM 808 O ASP A 90 -3.318 -9.532 -0.965 1.00 0.00 O ATOM 809 CB ASP A 90 -3.787 -10.889 1.383 1.00 0.00 C ATOM 810 CG ASP A 90 -2.785 -10.652 2.497 1.00 0.00 C ATOM 811 OD1 ASP A 90 -1.788 -11.401 2.565 1.00 0.00 O ATOM 812 OD2 ASP A 90 -2.999 -9.721 3.301 1.00 0.00 O ATOM 0 H ASP A 90 -6.448 -9.422 2.058 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.320 -8.834 1.735 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.457 -11.700 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.259 -11.212 0.486 1.00 0.00 H new ATOM 817 N HIS A 91 -5.266 -8.402 -0.922 1.00 0.00 N ATOM 818 CA HIS A 91 -5.131 -7.896 -2.282 1.00 0.00 C ATOM 819 C HIS A 91 -3.815 -7.147 -2.447 1.00 0.00 C ATOM 820 O HIS A 91 -3.190 -7.193 -3.507 1.00 0.00 O ATOM 821 CB HIS A 91 -6.305 -6.976 -2.624 1.00 0.00 C ATOM 822 CG HIS A 91 -7.421 -7.671 -3.341 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.732 -7.309 -3.147 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.370 -8.693 -4.230 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.446 -8.111 -3.916 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.664 -8.967 -4.591 1.00 0.00 N ATOM 0 H HIS A 91 -6.116 -8.104 -0.444 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.136 -8.744 -2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.692 -6.538 -1.704 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.944 -6.154 -3.242 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.082 -6.572 -2.535 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.482 -9.194 -4.585 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.523 -8.081 -3.992 1.00 0.00 H new ATOM 834 N SER A 92 -3.395 -6.464 -1.388 1.00 0.00 N ATOM 835 CA SER A 92 -2.146 -5.713 -1.415 1.00 0.00 C ATOM 836 C SER A 92 -0.967 -6.651 -1.649 1.00 0.00 C ATOM 837 O SER A 92 -0.008 -6.300 -2.340 1.00 0.00 O ATOM 838 CB SER A 92 -1.957 -4.950 -0.104 1.00 0.00 C ATOM 839 OG SER A 92 -3.179 -4.386 0.338 1.00 0.00 O ATOM 0 H SER A 92 -3.899 -6.415 -0.503 1.00 0.00 H new ATOM 0 HA SER A 92 -2.191 -4.997 -2.235 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.566 -5.623 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.218 -4.161 -0.242 1.00 0.00 H new ATOM 0 HG SER A 92 -3.407 -4.748 1.220 1.00 0.00 H new ATOM 845 N THR A 93 -1.049 -7.847 -1.076 1.00 0.00 N ATOM 846 CA THR A 93 0.008 -8.840 -1.228 1.00 0.00 C ATOM 847 C THR A 93 0.021 -9.389 -2.649 1.00 0.00 C ATOM 848 O THR A 93 1.071 -9.466 -3.289 1.00 0.00 O ATOM 849 CB THR A 93 -0.179 -9.977 -0.223 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.516 -9.467 1.054 1.00 0.00 O ATOM 851 CG2 THR A 93 1.053 -10.841 -0.061 1.00 0.00 C ATOM 0 H THR A 93 -1.836 -8.152 -0.503 1.00 0.00 H new ATOM 0 HA THR A 93 0.965 -8.357 -1.033 1.00 0.00 H new ATOM 0 HB THR A 93 -0.983 -10.591 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.187 -8.855 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.852 -11.628 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.311 -11.290 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.884 -10.228 0.288 1.00 0.00 H new ATOM 859 N ILE A 94 -1.155 -9.757 -3.147 1.00 0.00 N ATOM 860 CA ILE A 94 -1.269 -10.286 -4.503 1.00 0.00 C ATOM 861 C ILE A 94 -0.737 -9.274 -5.508 1.00 0.00 C ATOM 862 O ILE A 94 0.080 -9.603 -6.367 1.00 0.00 O ATOM 863 CB ILE A 94 -2.725 -10.639 -4.874 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.444 -11.286 -3.684 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.748 -11.560 -6.086 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.791 -11.884 -4.036 1.00 0.00 C ATOM 0 H ILE A 94 -2.037 -9.700 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.678 -11.201 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.254 -9.720 -5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.808 -12.067 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.582 -10.537 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.780 -11.803 -6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.275 -11.061 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.205 -12.477 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.239 -12.323 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.445 -11.103 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.659 -12.657 -4.793 1.00 0.00 H new ATOM 878 N HIS A 95 -1.197 -8.034 -5.381 1.00 0.00 N ATOM 879 CA HIS A 95 -0.757 -6.963 -6.266 1.00 0.00 C ATOM 880 C HIS A 95 0.752 -6.779 -6.149 1.00 0.00 C ATOM 881 O HIS A 95 1.438 -6.527 -7.139 1.00 0.00 O ATOM 882 CB HIS A 95 -1.480 -5.656 -5.924 1.00 0.00 C ATOM 883 CG HIS A 95 -0.881 -4.443 -6.573 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.435 -3.796 -7.654 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.254 -3.762 -6.270 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.639 -2.765 -7.969 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.401 -2.700 -7.159 1.00 0.00 N ATOM 0 H HIS A 95 -1.874 -7.746 -4.674 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.002 -7.233 -7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.524 -5.740 -6.226 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.471 -5.519 -4.843 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.299 -4.055 -8.131 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.934 -4.005 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.824 -2.077 -8.780 1.00 0.00 H new ATOM 895 N SER A 96 1.261 -6.913 -4.928 1.00 0.00 N ATOM 896 CA SER A 96 2.689 -6.768 -4.675 1.00 0.00 C ATOM 897 C SER A 96 3.486 -7.765 -5.510 1.00 0.00 C ATOM 898 O SER A 96 4.514 -7.423 -6.089 1.00 0.00 O ATOM 899 CB SER A 96 2.988 -6.971 -3.186 1.00 0.00 C ATOM 900 OG SER A 96 4.340 -7.343 -2.979 1.00 0.00 O ATOM 0 H SER A 96 0.705 -7.122 -4.099 1.00 0.00 H new ATOM 0 HA SER A 96 2.988 -5.759 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.774 -6.052 -2.641 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.331 -7.741 -2.782 1.00 0.00 H new ATOM 0 HG SER A 96 4.927 -6.602 -3.239 1.00 0.00 H new ATOM 906 N GLN A 97 3.011 -9.001 -5.571 1.00 0.00 N ATOM 907 CA GLN A 97 3.695 -10.032 -6.341 1.00 0.00 C ATOM 908 C GLN A 97 3.616 -9.740 -7.839 1.00 0.00 C ATOM 909 O GLN A 97 4.624 -9.789 -8.545 1.00 0.00 O ATOM 910 CB GLN A 97 3.091 -11.406 -6.044 1.00 0.00 C ATOM 911 CG GLN A 97 3.589 -12.020 -4.745 1.00 0.00 C ATOM 912 CD GLN A 97 3.071 -11.292 -3.520 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.168 -11.770 -2.835 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.642 -10.126 -3.240 1.00 0.00 N ATOM 0 H GLN A 97 2.161 -9.313 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 97 4.744 -10.033 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.006 -11.315 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.322 -12.081 -6.868 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.281 -13.065 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.679 -12.008 -4.736 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.388 -9.767 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.334 -9.589 -2.429 1.00 0.00 H new ATOM 923 N GLU A 98 2.412 -9.439 -8.315 1.00 0.00 N ATOM 924 CA GLU A 98 2.191 -9.147 -9.729 1.00 0.00 C ATOM 925 C GLU A 98 3.172 -8.099 -10.255 1.00 0.00 C ATOM 926 O GLU A 98 3.783 -8.286 -11.307 1.00 0.00 O ATOM 927 CB GLU A 98 0.755 -8.667 -9.950 1.00 0.00 C ATOM 928 CG GLU A 98 -0.274 -9.784 -9.895 1.00 0.00 C ATOM 929 CD GLU A 98 -1.645 -9.336 -10.362 1.00 0.00 C ATOM 930 OE1 GLU A 98 -2.115 -8.278 -9.895 1.00 0.00 O ATOM 931 OE2 GLU A 98 -2.249 -10.044 -11.195 1.00 0.00 O ATOM 0 H GLU A 98 1.571 -9.391 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 98 2.359 -10.070 -10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.510 -7.921 -9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.691 -8.172 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.063 -10.615 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.346 -10.157 -8.873 1.00 0.00 H new ATOM 938 N THR A 99 3.313 -6.995 -9.528 1.00 0.00 N ATOM 939 CA THR A 99 4.217 -5.922 -9.940 1.00 0.00 C ATOM 940 C THR A 99 5.464 -5.870 -9.063 1.00 0.00 C ATOM 941 O THR A 99 6.172 -4.866 -9.044 1.00 0.00 O ATOM 942 CB THR A 99 3.496 -4.575 -9.883 1.00 0.00 C ATOM 943 OG1 THR A 99 2.975 -4.343 -8.587 1.00 0.00 O ATOM 944 CG2 THR A 99 2.351 -4.464 -10.868 1.00 0.00 C ATOM 0 H THR A 99 2.816 -6.818 -8.655 1.00 0.00 H new ATOM 0 HA THR A 99 4.529 -6.130 -10.964 1.00 0.00 H new ATOM 0 HB THR A 99 4.249 -3.832 -10.146 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.860 -3.380 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.884 -3.484 -10.774 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.730 -4.590 -11.882 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.614 -5.239 -10.658 1.00 0.00 H new ATOM 952 N LYS A 100 5.727 -6.952 -8.336 1.00 0.00 N ATOM 953 CA LYS A 100 6.890 -7.026 -7.454 1.00 0.00 C ATOM 954 C LYS A 100 6.970 -5.818 -6.516 1.00 0.00 C ATOM 955 O LYS A 100 8.038 -5.500 -5.992 1.00 0.00 O ATOM 956 CB LYS A 100 8.183 -7.156 -8.272 1.00 0.00 C ATOM 957 CG LYS A 100 8.627 -5.870 -8.955 1.00 0.00 C ATOM 958 CD LYS A 100 10.140 -5.812 -9.102 1.00 0.00 C ATOM 959 CE LYS A 100 10.689 -4.451 -8.704 1.00 0.00 C ATOM 960 NZ LYS A 100 10.170 -4.008 -7.380 1.00 0.00 N ATOM 0 H LYS A 100 5.149 -7.793 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 100 6.774 -7.916 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.982 -7.498 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.043 -7.926 -9.030 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.162 -5.799 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.283 -5.012 -8.377 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.596 -6.584 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.414 -6.028 -10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.778 -4.494 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.422 -3.716 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.514 -3.212 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.670 -4.796 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.964 -3.706 -6.780 1.00 0.00 H new ATOM 974 N HIS A 101 5.833 -5.162 -6.288 1.00 0.00 N ATOM 975 CA HIS A 101 5.782 -4.012 -5.393 1.00 0.00 C ATOM 976 C HIS A 101 5.665 -4.490 -3.950 1.00 0.00 C ATOM 977 O HIS A 101 4.573 -4.798 -3.475 1.00 0.00 O ATOM 978 CB HIS A 101 4.591 -3.112 -5.742 1.00 0.00 C ATOM 979 CG HIS A 101 4.683 -2.492 -7.104 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.612 -1.842 -7.668 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.728 -2.450 -7.963 1.00 0.00 C ATOM 982 CE1 HIS A 101 4.026 -1.418 -8.848 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.303 -1.763 -9.071 1.00 0.00 N ATOM 0 H HIS A 101 4.938 -5.408 -6.711 1.00 0.00 H new ATOM 0 HA HIS A 101 6.699 -3.435 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.674 -3.698 -5.680 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.514 -2.320 -4.997 1.00 0.00 H new ATOM 0 HD1 HIS A 101 2.687 -1.713 -7.259 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.708 -2.876 -7.806 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.414 -0.864 -9.545 1.00 0.00 H new ATOM 991 N TYR A 102 6.799 -4.570 -3.263 1.00 0.00 N ATOM 992 CA TYR A 102 6.824 -5.037 -1.880 1.00 0.00 C ATOM 993 C TYR A 102 6.604 -3.901 -0.885 1.00 0.00 C ATOM 994 O TYR A 102 6.827 -4.071 0.314 1.00 0.00 O ATOM 995 CB TYR A 102 8.158 -5.722 -1.585 1.00 0.00 C ATOM 996 CG TYR A 102 8.554 -6.749 -2.619 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.667 -6.554 -3.428 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.817 -7.913 -2.787 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.033 -7.491 -4.375 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.176 -8.855 -3.729 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.284 -8.640 -4.521 1.00 0.00 C ATOM 1002 OH TYR A 102 9.645 -9.577 -5.463 1.00 0.00 O ATOM 0 H TYR A 102 7.713 -4.318 -3.640 1.00 0.00 H new ATOM 0 HA TYR A 102 6.005 -5.746 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.939 -4.964 -1.520 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.101 -6.205 -0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.255 -5.655 -3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.948 -8.084 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.900 -7.325 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.592 -9.756 -3.845 1.00 0.00 H new ATOM 0 HH TYR A 102 9.015 -10.327 -5.437 1.00 0.00 H new ATOM 1012 N LEU A 103 6.169 -2.744 -1.375 1.00 0.00 N ATOM 1013 CA LEU A 103 5.932 -1.601 -0.503 1.00 0.00 C ATOM 1014 C LEU A 103 4.453 -1.240 -0.457 1.00 0.00 C ATOM 1015 O LEU A 103 3.852 -0.894 -1.475 1.00 0.00 O ATOM 1016 CB LEU A 103 6.747 -0.397 -0.964 1.00 0.00 C ATOM 1017 CG LEU A 103 8.168 -0.329 -0.408 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.141 -0.190 1.108 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.961 -1.560 -0.821 1.00 0.00 C ATOM 0 H LEU A 103 5.975 -2.575 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 103 6.248 -1.880 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.799 -0.408 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.217 0.512 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 103 8.660 0.550 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.162 -0.143 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.610 0.722 1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.631 -1.050 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.971 -1.495 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.472 -2.454 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.009 -1.614 -1.909 1.00 0.00 H new ATOM 1031 N THR A 104 3.876 -1.317 0.735 1.00 0.00 N ATOM 1032 CA THR A 104 2.466 -0.997 0.922 1.00 0.00 C ATOM 1033 C THR A 104 2.255 -0.206 2.209 1.00 0.00 C ATOM 1034 O THR A 104 2.771 -0.570 3.264 1.00 0.00 O ATOM 1035 CB THR A 104 1.629 -2.279 0.947 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.246 -1.977 1.002 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.951 -3.184 2.118 1.00 0.00 C ATOM 0 H THR A 104 4.362 -1.598 1.587 1.00 0.00 H new ATOM 0 HA THR A 104 2.143 -0.380 0.083 1.00 0.00 H new ATOM 0 HB THR A 104 1.880 -2.804 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.174 -2.210 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.322 -4.073 2.074 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.999 -3.478 2.073 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.763 -2.652 3.051 1.00 0.00 H new ATOM 1045 N VAL A 105 1.495 0.880 2.114 1.00 0.00 N ATOM 1046 CA VAL A 105 1.219 1.721 3.273 1.00 0.00 C ATOM 1047 C VAL A 105 -0.278 1.802 3.553 1.00 0.00 C ATOM 1048 O VAL A 105 -1.061 2.202 2.690 1.00 0.00 O ATOM 1049 CB VAL A 105 1.776 3.146 3.077 1.00 0.00 C ATOM 1050 CG1 VAL A 105 1.103 3.834 1.899 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.608 3.966 4.349 1.00 0.00 C ATOM 0 H VAL A 105 1.060 1.198 1.248 1.00 0.00 H new ATOM 0 HA VAL A 105 1.717 1.259 4.125 1.00 0.00 H new ATOM 0 HB VAL A 105 2.841 3.068 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.513 4.837 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.283 3.259 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.030 3.899 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.007 4.968 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.550 4.032 4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.147 3.485 5.166 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.667 1.426 4.767 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.070 1.465 5.163 1.00 0.00 C ATOM 1063 C ASN A 106 -2.498 2.896 5.460 1.00 0.00 C ATOM 1064 O ASN A 106 -1.905 3.566 6.299 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.310 0.579 6.388 1.00 0.00 C ATOM 1066 CG ASN A 106 -1.265 0.782 7.467 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.171 1.854 8.063 1.00 0.00 O ATOM 1068 ND2 ASN A 106 -0.472 -0.253 7.720 1.00 0.00 N ATOM 0 H ASN A 106 -0.032 1.092 5.492 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.669 1.083 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.297 0.792 6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.312 -0.467 6.081 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.252 -0.178 8.434 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.587 -1.123 7.200 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.522 3.361 4.756 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.021 4.719 4.937 1.00 0.00 C ATOM 1077 C LEU A 107 -4.774 4.876 6.257 1.00 0.00 C ATOM 1078 O LEU A 107 -5.000 5.994 6.720 1.00 0.00 O ATOM 1079 CB LEU A 107 -4.929 5.102 3.768 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.426 4.656 2.391 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.459 3.782 1.696 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.081 5.863 1.531 1.00 0.00 C ATOM 0 H LEU A 107 -4.024 2.818 4.054 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.160 5.387 4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.916 4.670 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.052 6.185 3.761 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.521 4.065 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.080 3.477 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.654 2.897 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.384 4.344 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.726 5.526 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.969 6.482 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.301 6.447 2.020 1.00 0.00 H new ATOM 1094 N THR A 108 -5.172 3.757 6.857 1.00 0.00 N ATOM 1095 CA THR A 108 -5.912 3.788 8.115 1.00 0.00 C ATOM 1096 C THR A 108 -4.978 3.944 9.315 1.00 0.00 C ATOM 1097 O THR A 108 -5.351 4.539 10.326 1.00 0.00 O ATOM 1098 CB THR A 108 -6.755 2.518 8.268 1.00 0.00 C ATOM 1099 OG1 THR A 108 -7.533 2.280 7.106 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.701 2.571 9.449 1.00 0.00 C ATOM 0 H THR A 108 -4.995 2.820 6.494 1.00 0.00 H new ATOM 0 HA THR A 108 -6.571 4.656 8.088 1.00 0.00 H new ATOM 0 HB THR A 108 -6.036 1.715 8.428 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.240 1.447 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.269 1.642 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.129 2.700 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.387 3.409 9.328 1.00 0.00 H new ATOM 1108 N THR A 109 -3.768 3.405 9.203 1.00 0.00 N ATOM 1109 CA THR A 109 -2.793 3.488 10.290 1.00 0.00 C ATOM 1110 C THR A 109 -1.613 4.388 9.919 1.00 0.00 C ATOM 1111 O THR A 109 -0.817 4.765 10.778 1.00 0.00 O ATOM 1112 CB THR A 109 -2.287 2.090 10.659 1.00 0.00 C ATOM 1113 OG1 THR A 109 -3.092 1.089 10.058 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.276 1.835 12.150 1.00 0.00 C ATOM 0 H THR A 109 -3.438 2.908 8.376 1.00 0.00 H new ATOM 0 HA THR A 109 -3.296 3.928 11.151 1.00 0.00 H new ATOM 0 HB THR A 109 -1.262 2.046 10.290 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.751 0.204 10.304 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.907 0.828 12.344 1.00 0.00 H new ATOM 0 HG22 THR A 109 -1.625 2.560 12.638 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.288 1.933 12.543 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.507 4.725 8.637 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.427 5.577 8.149 1.00 0.00 C ATOM 1124 C LEU A 110 0.936 4.919 8.358 1.00 0.00 C ATOM 1125 O LEU A 110 1.942 5.602 8.549 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.464 6.939 8.848 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.456 7.942 8.255 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.537 9.187 9.126 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.061 8.309 6.831 1.00 0.00 C ATOM 0 H LEU A 110 -2.159 4.420 7.914 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.575 5.721 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.710 6.785 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.534 7.375 8.815 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.441 7.476 8.226 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.247 9.890 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.868 8.910 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.554 9.654 9.186 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.779 9.023 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.067 8.755 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.055 7.412 6.212 1.00 0.00 H new ATOM 1141 N ARG A 111 0.963 3.590 8.316 1.00 0.00 N ATOM 1142 CA ARG A 111 2.205 2.844 8.497 1.00 0.00 C ATOM 1143 C ARG A 111 2.590 2.106 7.216 1.00 0.00 C ATOM 1144 O ARG A 111 1.736 1.536 6.535 1.00 0.00 O ATOM 1145 CB ARG A 111 2.070 1.849 9.652 1.00 0.00 C ATOM 1146 CG ARG A 111 1.332 2.407 10.859 1.00 0.00 C ATOM 1147 CD ARG A 111 2.219 3.331 11.675 1.00 0.00 C ATOM 1148 NE ARG A 111 3.436 2.662 12.131 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.458 1.729 13.080 1.00 0.00 C ATOM 1150 NH1 ARG A 111 2.333 1.351 13.676 1.00 0.00 N ATOM 1151 NH2 ARG A 111 4.608 1.171 13.434 1.00 0.00 N ATOM 0 H ARG A 111 0.140 3.008 8.158 1.00 0.00 H new ATOM 0 HA ARG A 111 2.993 3.558 8.735 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.546 0.962 9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.065 1.529 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.447 2.950 10.527 1.00 0.00 H new ATOM 0 HG3 ARG A 111 0.985 1.586 11.486 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.487 4.200 11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.663 3.699 12.537 1.00 0.00 H new ATOM 0 HE ARG A 111 4.320 2.926 11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.446 1.776 13.407 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.356 0.635 14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.475 1.457 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.625 0.456 14.161 1.00 0.00 H new ATOM 1165 N VAL A 112 3.882 2.118 6.895 1.00 0.00 N ATOM 1166 CA VAL A 112 4.382 1.450 5.698 1.00 0.00 C ATOM 1167 C VAL A 112 4.869 0.039 6.019 1.00 0.00 C ATOM 1168 O VAL A 112 5.322 -0.232 7.131 1.00 0.00 O ATOM 1169 CB VAL A 112 5.534 2.243 5.051 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.935 1.617 3.723 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.141 3.701 4.863 1.00 0.00 C ATOM 0 H VAL A 112 4.601 2.584 7.448 1.00 0.00 H new ATOM 0 HA VAL A 112 3.550 1.395 4.996 1.00 0.00 H new ATOM 0 HB VAL A 112 6.395 2.206 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.750 2.191 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.262 0.591 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.080 1.620 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.967 4.244 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.265 3.761 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.909 4.143 5.832 1.00 0.00 H new ATOM 1181 N TRP A 113 4.768 -0.857 5.041 1.00 0.00 N ATOM 1182 CA TRP A 113 5.196 -2.240 5.227 1.00 0.00 C ATOM 1183 C TRP A 113 6.074 -2.713 4.070 1.00 0.00 C ATOM 1184 O TRP A 113 5.828 -2.378 2.908 1.00 0.00 O ATOM 1185 CB TRP A 113 3.979 -3.158 5.365 1.00 0.00 C ATOM 1186 CG TRP A 113 4.340 -4.598 5.563 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.339 -5.580 4.614 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.756 -5.220 6.784 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.730 -6.774 5.170 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.992 -6.579 6.501 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.954 -4.759 8.089 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.415 -7.480 7.475 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.374 -5.655 9.055 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.600 -7.001 8.744 1.00 0.00 C ATOM 0 H TRP A 113 4.395 -0.651 4.114 1.00 0.00 H new ATOM 0 HA TRP A 113 5.787 -2.284 6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.374 -2.823 6.208 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.360 -3.066 4.472 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.070 -5.439 3.578 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.812 -7.661 4.673 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.782 -3.722 8.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.591 -8.519 7.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.530 -5.310 10.067 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.927 -7.676 9.521 1.00 0.00 H new ATOM 1205 N CYS A 114 7.094 -3.503 4.405 1.00 0.00 N ATOM 1206 CA CYS A 114 8.021 -4.044 3.415 1.00 0.00 C ATOM 1207 C CYS A 114 7.909 -5.567 3.352 1.00 0.00 C ATOM 1208 O CYS A 114 8.299 -6.266 4.290 1.00 0.00 O ATOM 1209 CB CYS A 114 9.456 -3.642 3.763 1.00 0.00 C ATOM 1210 SG CYS A 114 10.636 -3.873 2.414 1.00 0.00 S ATOM 0 H CYS A 114 7.299 -3.784 5.364 1.00 0.00 H new ATOM 0 HA CYS A 114 7.762 -3.634 2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.465 -2.594 4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.786 -4.224 4.624 1.00 0.00 H new ATOM 0 HG CYS A 114 11.565 -2.967 2.490 1.00 0.00 H new ATOM 1215 N TYR A 115 7.365 -6.075 2.247 1.00 0.00 N ATOM 1216 CA TYR A 115 7.193 -7.516 2.067 1.00 0.00 C ATOM 1217 C TYR A 115 8.534 -8.226 1.894 1.00 0.00 C ATOM 1218 O TYR A 115 8.750 -9.303 2.451 1.00 0.00 O ATOM 1219 CB TYR A 115 6.299 -7.799 0.856 1.00 0.00 C ATOM 1220 CG TYR A 115 4.819 -7.730 1.158 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.236 -8.592 2.079 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.004 -6.804 0.521 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.883 -8.534 2.353 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.649 -6.738 0.790 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.094 -7.606 1.707 1.00 0.00 C ATOM 1226 OH TYR A 115 0.748 -7.544 1.980 1.00 0.00 O ATOM 0 H TYR A 115 7.036 -5.511 1.464 1.00 0.00 H new ATOM 0 HA TYR A 115 6.718 -7.903 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.533 -7.083 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.535 -8.789 0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.851 -9.319 2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.436 -6.123 -0.197 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.445 -9.213 3.070 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.029 -6.011 0.285 1.00 0.00 H new ATOM 0 HH TYR A 115 0.337 -6.836 1.441 1.00 0.00 H new ATOM 1236 N ALA A 116 9.428 -7.626 1.115 1.00 0.00 N ATOM 1237 CA ALA A 116 10.740 -8.212 0.866 1.00 0.00 C ATOM 1238 C ALA A 116 11.518 -8.376 2.164 1.00 0.00 C ATOM 1239 O ALA A 116 12.004 -9.464 2.478 1.00 0.00 O ATOM 1240 CB ALA A 116 11.524 -7.357 -0.118 1.00 0.00 C ATOM 0 H ALA A 116 9.268 -6.735 0.645 1.00 0.00 H new ATOM 0 HA ALA A 116 10.594 -9.201 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.501 -7.807 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.979 -7.294 -1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.655 -6.356 0.293 1.00 0.00 H new ATOM 1246 N CYS A 117 11.627 -7.290 2.919 1.00 0.00 N ATOM 1247 CA CYS A 117 12.337 -7.310 4.190 1.00 0.00 C ATOM 1248 C CYS A 117 11.557 -8.117 5.222 1.00 0.00 C ATOM 1249 O CYS A 117 12.138 -8.722 6.123 1.00 0.00 O ATOM 1250 CB CYS A 117 12.563 -5.886 4.699 1.00 0.00 C ATOM 1251 SG CYS A 117 14.050 -5.096 4.044 1.00 0.00 S ATOM 0 H CYS A 117 11.232 -6.383 2.672 1.00 0.00 H new ATOM 0 HA CYS A 117 13.306 -7.783 4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.697 -5.277 4.440 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.624 -5.906 5.787 1.00 0.00 H new ATOM 0 HG CYS A 117 13.723 -4.001 3.425 1.00 0.00 H new ATOM 1256 N SER A 118 10.232 -8.115 5.084 1.00 0.00 N ATOM 1257 CA SER A 118 9.356 -8.839 6.002 1.00 0.00 C ATOM 1258 C SER A 118 9.230 -8.093 7.325 1.00 0.00 C ATOM 1259 O SER A 118 9.452 -8.659 8.396 1.00 0.00 O ATOM 1260 CB SER A 118 9.879 -10.259 6.243 1.00 0.00 C ATOM 1261 OG SER A 118 8.818 -11.198 6.260 1.00 0.00 O ATOM 0 H SER A 118 9.740 -7.617 4.342 1.00 0.00 H new ATOM 0 HA SER A 118 8.369 -8.906 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.591 -10.525 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.416 -10.296 7.191 1.00 0.00 H new ATOM 0 HG SER A 118 9.179 -12.096 6.414 1.00 0.00 H new ATOM 1267 N LYS A 119 8.873 -6.816 7.241 1.00 0.00 N ATOM 1268 CA LYS A 119 8.718 -5.988 8.432 1.00 0.00 C ATOM 1269 C LYS A 119 8.166 -4.613 8.074 1.00 0.00 C ATOM 1270 O LYS A 119 8.025 -4.277 6.897 1.00 0.00 O ATOM 1271 CB LYS A 119 10.061 -5.840 9.151 1.00 0.00 C ATOM 1272 CG LYS A 119 11.112 -5.110 8.329 1.00 0.00 C ATOM 1273 CD LYS A 119 12.441 -5.851 8.335 1.00 0.00 C ATOM 1274 CE LYS A 119 13.075 -5.851 9.717 1.00 0.00 C ATOM 1275 NZ LYS A 119 14.262 -4.954 9.785 1.00 0.00 N ATOM 0 H LYS A 119 8.686 -6.332 6.363 1.00 0.00 H new ATOM 0 HA LYS A 119 8.008 -6.481 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.906 -5.303 10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.437 -6.830 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.761 -5.000 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.253 -4.105 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.287 -6.878 8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.121 -5.385 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.338 -5.534 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.372 -6.866 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.665 -4.983 10.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.977 -5.272 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.975 -3.980 9.559 1.00 0.00 H new ATOM 1289 N GLU A 120 7.854 -3.823 9.094 1.00 0.00 N ATOM 1290 CA GLU A 120 7.317 -2.483 8.888 1.00 0.00 C ATOM 1291 C GLU A 120 8.441 -1.458 8.779 1.00 0.00 C ATOM 1292 O GLU A 120 9.399 -1.487 9.549 1.00 0.00 O ATOM 1293 CB GLU A 120 6.376 -2.106 10.034 1.00 0.00 C ATOM 1294 CG GLU A 120 7.060 -2.065 11.393 1.00 0.00 C ATOM 1295 CD GLU A 120 6.400 -2.980 12.406 1.00 0.00 C ATOM 1296 OE1 GLU A 120 5.792 -3.988 11.989 1.00 0.00 O ATOM 1297 OE2 GLU A 120 6.494 -2.689 13.618 1.00 0.00 O ATOM 0 H GLU A 120 7.964 -4.087 10.073 1.00 0.00 H new ATOM 0 HA GLU A 120 6.757 -2.483 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.938 -1.130 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.556 -2.823 10.071 1.00 0.00 H new ATOM 0 HG2 GLU A 120 8.106 -2.351 11.278 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.048 -1.043 11.771 1.00 0.00 H new ATOM 1304 N VAL A 121 8.314 -0.552 7.815 1.00 0.00 N ATOM 1305 CA VAL A 121 9.319 0.483 7.604 1.00 0.00 C ATOM 1306 C VAL A 121 8.682 1.868 7.574 1.00 0.00 C ATOM 1307 O VAL A 121 7.462 2.003 7.673 1.00 0.00 O ATOM 1308 CB VAL A 121 10.090 0.259 6.290 1.00 0.00 C ATOM 1309 CG1 VAL A 121 11.004 -0.952 6.408 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.126 0.097 5.126 1.00 0.00 C ATOM 0 H VAL A 121 7.526 -0.514 7.168 1.00 0.00 H new ATOM 0 HA VAL A 121 10.015 0.422 8.440 1.00 0.00 H new ATOM 0 HB VAL A 121 10.709 1.136 6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.541 -1.095 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.719 -0.791 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.407 -1.838 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.689 -0.060 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.479 -0.761 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.518 0.996 5.030 1.00 0.00 H new ATOM 1320 N PHE A 122 9.514 2.894 7.437 1.00 0.00 N ATOM 1321 CA PHE A 122 9.032 4.270 7.394 1.00 0.00 C ATOM 1322 C PHE A 122 9.487 4.966 6.116 1.00 0.00 C ATOM 1323 O PHE A 122 10.489 4.583 5.512 1.00 0.00 O ATOM 1324 CB PHE A 122 9.530 5.045 8.615 1.00 0.00 C ATOM 1325 CG PHE A 122 11.018 4.972 8.805 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.610 3.832 9.325 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.826 6.044 8.460 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.978 3.763 9.500 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.196 5.980 8.632 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.773 4.839 9.153 1.00 0.00 C ATOM 0 H PHE A 122 10.526 2.799 7.354 1.00 0.00 H new ATOM 0 HA PHE A 122 7.942 4.247 7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.235 6.090 8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 122 9.038 4.657 9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.994 2.987 9.597 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.380 6.939 8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.426 2.869 9.908 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.815 6.822 8.359 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.843 4.787 9.289 1.00 0.00 H new