USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1023 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 105 GLN : amide:sc= -6.01! C(o=-19!,f=-32!) USER MOD Set 1.2: A 107 ASN : amide:sc= -13.1! C(o=-19!,f=-17!) USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0.00292 USER MOD Set 2.2: A 116 GLN : amide:sc= -9.29! C(o=-9.3!,f=-3.7!) USER MOD Set 3.1: A 27 GLN : amide:sc= -4.53! C(o=-19!,f=-15!) USER MOD Set 3.2: A 62 HIS : no HE2:sc= -14.7! C(o=-19!,f=-25!) USER MOD Set 4.1: A 13 GLN : amide:sc= 1.13 X(o=2,f=1.6) USER MOD Set 4.2: A 22 CYS SG : rot 180:sc= 0.907 USER MOD Set 5.1: A 15 THR OG1 : rot 70:sc= -0.0105 USER MOD Set 5.2: A 73 SER OG : rot 92:sc= 1.21 USER MOD Single : A 8 GLN : amide:sc= -2.77! C(o=-2.8!,f=-7.5!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot -179:sc= -3.68! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.19) USER MOD Single : A 38 SER OG : rot 25:sc= 0.306 USER MOD Single : A 46 TYR OH : rot 15:sc= 0.593 USER MOD Single : A 50 ASN : amide:sc=-0.00521 K(o=-0.0052,f=-0.85) USER MOD Single : A 53 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.52) USER MOD Single : A 55 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.9) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 65 MET CE :methyl 153:sc= -2.13 (180deg=-3.74!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 76 GLN : amide:sc= -6.03! K(o=-6!,f=-1) USER MOD Single : A 81 SER OG : rot 34:sc= -2.31! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -37:sc= 0.109 USER MOD Single : A 108 THR OG1 : rot -150:sc=0.000979 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-2.4!) USER MOD Single : A 123 THR OG1 : rot 152:sc= 0.784 USER MOD Single : A 125 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 128 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.5) USER MOD Single : A 134 CYS SG : rot 180:sc= -0.0129 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 CYS SG : rot 180:sc= 0.0803 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 7 -11.299 10.377 -4.578 1.00 1.00 N ATOM 79 CA ASP A 7 -10.018 9.808 -4.980 1.00 1.00 C ATOM 80 C ASP A 7 -9.364 9.101 -3.798 1.00 1.00 C ATOM 81 O ASP A 7 -9.382 9.601 -2.673 1.00 1.00 O ATOM 82 CB ASP A 7 -9.092 10.905 -5.505 1.00 1.00 C ATOM 83 CG ASP A 7 -7.799 10.287 -6.026 1.00 1.00 C ATOM 84 OD1 ASP A 7 -7.611 9.099 -5.824 1.00 1.00 O ATOM 85 OD2 ASP A 7 -7.017 11.010 -6.622 1.00 1.00 O ATOM 0 HA ASP A 7 -10.194 9.084 -5.775 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -9.587 11.460 -6.302 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -8.870 11.617 -4.710 1.00 1.00 H new ATOM 90 N GLN A 8 -8.793 7.937 -4.065 1.00 1.00 N ATOM 91 CA GLN A 8 -8.141 7.164 -3.017 1.00 1.00 C ATOM 92 C GLN A 8 -7.012 7.977 -2.388 1.00 1.00 C ATOM 93 O GLN A 8 -6.927 8.104 -1.166 1.00 1.00 O ATOM 94 CB GLN A 8 -7.568 5.873 -3.605 1.00 1.00 C ATOM 95 CG GLN A 8 -8.618 5.181 -4.474 1.00 1.00 C ATOM 96 CD GLN A 8 -9.906 4.969 -3.689 1.00 1.00 C ATOM 97 OE1 GLN A 8 -9.877 4.788 -2.473 1.00 1.00 O ATOM 98 NE2 GLN A 8 -11.041 4.965 -4.325 1.00 1.00 N ATOM 0 H GLN A 8 -8.767 7.508 -4.990 1.00 1.00 H new ATOM 0 HA GLN A 8 -8.878 6.921 -2.252 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -6.682 6.097 -4.200 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -7.253 5.207 -2.802 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -8.820 5.784 -5.359 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -8.235 4.222 -4.822 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -11.061 5.116 -5.334 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -11.911 4.811 -3.815 1.00 1.00 H new ATOM 107 N SER A 9 -6.129 8.496 -3.236 1.00 1.00 N ATOM 108 CA SER A 9 -4.978 9.268 -2.757 1.00 1.00 C ATOM 109 C SER A 9 -5.421 10.403 -1.849 1.00 1.00 C ATOM 110 O SER A 9 -4.804 10.655 -0.814 1.00 1.00 O ATOM 111 CB SER A 9 -4.191 9.850 -3.930 1.00 1.00 C ATOM 112 OG SER A 9 -3.716 8.790 -4.748 1.00 1.00 O ATOM 0 H SER A 9 -6.184 8.400 -4.250 1.00 1.00 H new ATOM 0 HA SER A 9 -4.341 8.586 -2.193 1.00 1.00 H new ATOM 0 HB2 SER A 9 -4.825 10.518 -4.513 1.00 1.00 H new ATOM 0 HB3 SER A 9 -3.354 10.444 -3.563 1.00 1.00 H new ATOM 0 HG SER A 9 -3.212 9.160 -5.503 1.00 1.00 H new ATOM 118 N VAL A 10 -6.487 11.093 -2.233 1.00 1.00 N ATOM 119 CA VAL A 10 -6.981 12.201 -1.428 1.00 1.00 C ATOM 120 C VAL A 10 -7.354 11.705 -0.033 1.00 1.00 C ATOM 121 O VAL A 10 -6.963 12.299 0.971 1.00 1.00 O ATOM 122 CB VAL A 10 -8.213 12.809 -2.111 1.00 1.00 C ATOM 123 CG1 VAL A 10 -8.920 13.778 -1.157 1.00 1.00 C ATOM 124 CG2 VAL A 10 -7.777 13.565 -3.369 1.00 1.00 C ATOM 0 H VAL A 10 -7.019 10.909 -3.084 1.00 1.00 H new ATOM 0 HA VAL A 10 -6.203 12.959 -1.335 1.00 1.00 H new ATOM 0 HB VAL A 10 -8.901 12.008 -2.381 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -9.793 14.204 -1.652 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -9.236 13.242 -0.262 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -8.235 14.578 -0.878 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -8.652 13.997 -3.855 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -7.084 14.360 -3.094 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -7.284 12.876 -4.055 1.00 1.00 H new ATOM 134 N ALA A 11 -8.136 10.638 0.015 1.00 1.00 N ATOM 135 CA ALA A 11 -8.585 10.096 1.289 1.00 1.00 C ATOM 136 C ALA A 11 -7.426 9.989 2.270 1.00 1.00 C ATOM 137 O ALA A 11 -7.581 10.308 3.444 1.00 1.00 O ATOM 138 CB ALA A 11 -9.223 8.714 1.102 1.00 1.00 C ATOM 0 H ALA A 11 -8.471 10.133 -0.806 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.332 10.780 1.692 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -9.550 8.331 2.068 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -10.081 8.797 0.435 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -8.492 8.031 0.669 1.00 1.00 H new ATOM 144 N ILE A 12 -6.274 9.519 1.797 1.00 1.00 N ATOM 145 CA ILE A 12 -5.127 9.361 2.678 1.00 1.00 C ATOM 146 C ILE A 12 -4.747 10.702 3.310 1.00 1.00 C ATOM 147 O ILE A 12 -4.671 10.836 4.531 1.00 1.00 O ATOM 148 CB ILE A 12 -3.943 8.832 1.863 1.00 1.00 C ATOM 149 CG1 ILE A 12 -4.383 7.592 1.065 1.00 1.00 C ATOM 150 CG2 ILE A 12 -2.780 8.474 2.796 1.00 1.00 C ATOM 151 CD1 ILE A 12 -4.976 6.528 1.994 1.00 1.00 C ATOM 0 H ILE A 12 -6.114 9.246 0.827 1.00 1.00 H new ATOM 0 HA ILE A 12 -5.382 8.660 3.473 1.00 1.00 H new ATOM 0 HB ILE A 12 -3.608 9.604 1.171 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -5.121 7.879 0.316 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -3.529 7.178 0.529 1.00 1.00 H new ATOM 0 HG21 ILE A 12 -1.943 8.099 2.207 1.00 1.00 H new ATOM 0 HG22 ILE A 12 -2.468 9.362 3.345 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -3.101 7.706 3.500 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -5.280 5.661 1.407 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -4.227 6.226 2.726 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -5.844 6.939 2.510 1.00 1.00 H new ATOM 163 N GLN A 13 -4.489 11.678 2.456 1.00 1.00 N ATOM 164 CA GLN A 13 -4.088 13.004 2.925 1.00 1.00 C ATOM 165 C GLN A 13 -5.003 13.463 4.057 1.00 1.00 C ATOM 166 O GLN A 13 -4.530 13.972 5.072 1.00 1.00 O ATOM 167 CB GLN A 13 -4.120 14.025 1.773 1.00 1.00 C ATOM 168 CG GLN A 13 -2.773 14.026 1.046 1.00 1.00 C ATOM 169 CD GLN A 13 -1.729 14.727 1.913 1.00 1.00 C ATOM 170 OE1 GLN A 13 -1.934 15.866 2.331 1.00 1.00 O ATOM 171 NE2 GLN A 13 -0.620 14.110 2.220 1.00 1.00 N ATOM 0 H GLN A 13 -4.548 11.584 1.442 1.00 1.00 H new ATOM 0 HA GLN A 13 -3.066 12.939 3.299 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -4.920 13.776 1.076 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.335 15.020 2.162 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -2.460 13.003 0.836 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -2.866 14.535 0.086 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -0.449 13.166 1.874 1.00 1.00 H new ATOM 0 HE22 GLN A 13 0.075 14.572 2.806 1.00 1.00 H new ATOM 180 N GLU A 14 -6.304 13.293 3.878 1.00 1.00 N ATOM 181 CA GLU A 14 -7.262 13.706 4.893 1.00 1.00 C ATOM 182 C GLU A 14 -6.965 13.029 6.235 1.00 1.00 C ATOM 183 O GLU A 14 -6.671 13.695 7.226 1.00 1.00 O ATOM 184 CB GLU A 14 -8.667 13.321 4.430 1.00 1.00 C ATOM 185 CG GLU A 14 -9.044 14.137 3.192 1.00 1.00 C ATOM 186 CD GLU A 14 -10.379 13.653 2.638 1.00 1.00 C ATOM 187 OE1 GLU A 14 -10.991 12.811 3.277 1.00 1.00 O ATOM 188 OE2 GLU A 14 -10.771 14.130 1.585 1.00 1.00 O ATOM 0 H GLU A 14 -6.719 12.875 3.045 1.00 1.00 H new ATOM 0 HA GLU A 14 -7.188 14.785 5.030 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -8.706 12.256 4.201 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -9.386 13.502 5.229 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -9.109 15.194 3.449 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -8.269 14.040 2.432 1.00 1.00 H new ATOM 195 N THR A 15 -7.054 11.701 6.249 1.00 1.00 N ATOM 196 CA THR A 15 -6.810 10.926 7.469 1.00 1.00 C ATOM 197 C THR A 15 -5.354 11.018 7.921 1.00 1.00 C ATOM 198 O THR A 15 -5.062 10.886 9.109 1.00 1.00 O ATOM 199 CB THR A 15 -7.160 9.453 7.245 1.00 1.00 C ATOM 200 OG1 THR A 15 -6.935 8.726 8.444 1.00 1.00 O ATOM 201 CG2 THR A 15 -6.280 8.890 6.136 1.00 1.00 C ATOM 0 H THR A 15 -7.293 11.138 5.433 1.00 1.00 H new ATOM 0 HA THR A 15 -7.445 11.351 8.246 1.00 1.00 H new ATOM 0 HB THR A 15 -8.208 9.365 6.959 1.00 1.00 H new ATOM 0 HG1 THR A 15 -7.605 8.981 9.112 1.00 1.00 H new ATOM 0 HG21 THR A 15 -6.526 7.841 5.973 1.00 1.00 H new ATOM 0 HG22 THR A 15 -6.451 9.450 5.216 1.00 1.00 H new ATOM 0 HG23 THR A 15 -5.232 8.976 6.424 1.00 1.00 H new ATOM 209 N LEU A 16 -4.443 11.215 6.977 1.00 1.00 N ATOM 210 CA LEU A 16 -3.028 11.285 7.324 1.00 1.00 C ATOM 211 C LEU A 16 -2.776 12.454 8.279 1.00 1.00 C ATOM 212 O LEU A 16 -3.267 12.457 9.410 1.00 1.00 O ATOM 213 CB LEU A 16 -2.181 11.432 6.046 1.00 1.00 C ATOM 214 CG LEU A 16 -0.680 11.253 6.351 1.00 1.00 C ATOM 215 CD1 LEU A 16 -0.404 9.829 6.869 1.00 1.00 C ATOM 216 CD2 LEU A 16 0.119 11.493 5.064 1.00 1.00 C ATOM 0 H LEU A 16 -4.651 11.327 5.985 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.738 10.363 7.828 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -2.496 10.692 5.310 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -2.351 12.414 5.604 1.00 1.00 H new ATOM 0 HG LEU A 16 -0.381 11.967 7.118 1.00 1.00 H new ATOM 0 HD11 LEU A 16 0.660 9.718 7.080 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -0.975 9.657 7.782 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -0.702 9.103 6.113 1.00 1.00 H new ATOM 0 HD21 LEU A 16 1.183 11.369 5.268 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -0.191 10.776 4.304 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -0.066 12.505 4.704 1.00 1.00 H new ATOM 228 N VAL A 17 -2.030 13.446 7.817 1.00 1.00 N ATOM 229 CA VAL A 17 -1.731 14.621 8.620 1.00 1.00 C ATOM 230 C VAL A 17 -0.989 15.634 7.756 1.00 1.00 C ATOM 231 O VAL A 17 -0.468 15.288 6.697 1.00 1.00 O ATOM 232 CB VAL A 17 -0.893 14.241 9.859 1.00 1.00 C ATOM 233 CG1 VAL A 17 0.571 14.035 9.473 1.00 1.00 C ATOM 234 CG2 VAL A 17 -0.990 15.356 10.902 1.00 1.00 C ATOM 0 H VAL A 17 -1.618 13.460 6.884 1.00 1.00 H new ATOM 0 HA VAL A 17 -2.662 15.061 8.977 1.00 1.00 H new ATOM 0 HB VAL A 17 -1.282 13.311 10.273 1.00 1.00 H new ATOM 0 HG11 VAL A 17 1.147 13.768 10.359 1.00 1.00 H new ATOM 0 HG12 VAL A 17 0.644 13.234 8.737 1.00 1.00 H new ATOM 0 HG13 VAL A 17 0.968 14.956 9.047 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -0.398 15.088 11.777 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -0.610 16.285 10.478 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -2.031 15.490 11.195 1.00 1.00 H new ATOM 244 N GLU A 18 -0.962 16.881 8.195 1.00 1.00 N ATOM 245 CA GLU A 18 -0.302 17.935 7.438 1.00 1.00 C ATOM 246 C GLU A 18 1.209 17.958 7.685 1.00 1.00 C ATOM 247 O GLU A 18 1.668 18.197 8.802 1.00 1.00 O ATOM 248 CB GLU A 18 -0.910 19.288 7.829 1.00 1.00 C ATOM 249 CG GLU A 18 -1.162 19.316 9.339 1.00 1.00 C ATOM 250 CD GLU A 18 -1.520 20.727 9.781 1.00 1.00 C ATOM 251 OE1 GLU A 18 -1.006 21.661 9.188 1.00 1.00 O ATOM 252 OE2 GLU A 18 -2.307 20.855 10.705 1.00 1.00 O ATOM 0 H GLU A 18 -1.388 17.189 9.069 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.457 17.739 6.377 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -0.236 20.097 7.547 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -1.844 19.449 7.290 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -1.970 18.630 9.594 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -0.274 18.974 9.871 1.00 1.00 H new ATOM 259 N GLY A 19 1.977 17.725 6.619 1.00 1.00 N ATOM 260 CA GLY A 19 3.438 17.743 6.710 1.00 1.00 C ATOM 261 C GLY A 19 4.078 16.642 5.875 1.00 1.00 C ATOM 262 O GLY A 19 5.224 16.773 5.442 1.00 1.00 O ATOM 0 H GLY A 19 1.614 17.523 5.687 1.00 1.00 H new ATOM 0 HA2 GLY A 19 3.810 18.712 6.377 1.00 1.00 H new ATOM 0 HA3 GLY A 19 3.737 17.628 7.752 1.00 1.00 H new ATOM 266 N GLU A 20 3.350 15.549 5.660 1.00 1.00 N ATOM 267 CA GLU A 20 3.882 14.430 4.884 1.00 1.00 C ATOM 268 C GLU A 20 3.567 14.584 3.402 1.00 1.00 C ATOM 269 O GLU A 20 3.052 15.614 2.965 1.00 1.00 O ATOM 270 CB GLU A 20 3.323 13.102 5.403 1.00 1.00 C ATOM 271 CG GLU A 20 3.985 12.728 6.738 1.00 1.00 C ATOM 272 CD GLU A 20 3.358 13.526 7.877 1.00 1.00 C ATOM 273 OE1 GLU A 20 2.535 14.378 7.591 1.00 1.00 O ATOM 274 OE2 GLU A 20 3.716 13.275 9.016 1.00 1.00 O ATOM 0 H GLU A 20 2.401 15.414 6.007 1.00 1.00 H new ATOM 0 HA GLU A 20 4.965 14.431 5.004 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.244 13.181 5.534 1.00 1.00 H new ATOM 0 HB3 GLU A 20 3.498 12.315 4.670 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.868 11.660 6.924 1.00 1.00 H new ATOM 0 HG3 GLU A 20 5.056 12.928 6.690 1.00 1.00 H new ATOM 281 N TYR A 21 3.913 13.555 2.630 1.00 1.00 N ATOM 282 CA TYR A 21 3.702 13.575 1.186 1.00 1.00 C ATOM 283 C TYR A 21 3.191 12.231 0.687 1.00 1.00 C ATOM 284 O TYR A 21 3.849 11.205 0.861 1.00 1.00 O ATOM 285 CB TYR A 21 5.036 13.884 0.508 1.00 1.00 C ATOM 286 CG TYR A 21 4.816 14.241 -0.941 1.00 1.00 C ATOM 287 CD1 TYR A 21 4.653 13.228 -1.888 1.00 1.00 C ATOM 288 CD2 TYR A 21 4.781 15.585 -1.334 1.00 1.00 C ATOM 289 CE1 TYR A 21 4.455 13.556 -3.233 1.00 1.00 C ATOM 290 CE2 TYR A 21 4.584 15.913 -2.680 1.00 1.00 C ATOM 291 CZ TYR A 21 4.420 14.898 -3.630 1.00 1.00 C ATOM 292 OH TYR A 21 4.225 15.221 -4.956 1.00 1.00 O ATOM 0 H TYR A 21 4.340 12.698 2.981 1.00 1.00 H new ATOM 0 HA TYR A 21 2.957 14.334 0.948 1.00 1.00 H new ATOM 0 HB2 TYR A 21 5.531 14.708 1.022 1.00 1.00 H new ATOM 0 HB3 TYR A 21 5.697 13.021 0.581 1.00 1.00 H new ATOM 0 HD1 TYR A 21 4.680 12.193 -1.582 1.00 1.00 H new ATOM 0 HD2 TYR A 21 4.906 16.367 -0.599 1.00 1.00 H new ATOM 0 HE1 TYR A 21 4.329 12.773 -3.966 1.00 1.00 H new ATOM 0 HE2 TYR A 21 4.558 16.949 -2.986 1.00 1.00 H new ATOM 0 HH TYR A 21 4.227 16.196 -5.059 1.00 1.00 H new ATOM 302 N CYS A 22 2.040 12.249 0.018 1.00 1.00 N ATOM 303 CA CYS A 22 1.475 11.031 -0.560 1.00 1.00 C ATOM 304 C CYS A 22 1.783 11.040 -2.042 1.00 1.00 C ATOM 305 O CYS A 22 1.704 12.087 -2.688 1.00 1.00 O ATOM 306 CB CYS A 22 -0.038 10.962 -0.324 1.00 1.00 C ATOM 307 SG CYS A 22 -0.371 11.105 1.451 1.00 1.00 S ATOM 0 H CYS A 22 1.482 13.089 -0.137 1.00 1.00 H new ATOM 0 HA CYS A 22 1.914 10.153 -0.085 1.00 1.00 H new ATOM 0 HB2 CYS A 22 -0.540 11.764 -0.866 1.00 1.00 H new ATOM 0 HB3 CYS A 22 -0.435 10.022 -0.706 1.00 1.00 H new ATOM 0 HG CYS A 22 -1.653 11.049 1.658 1.00 1.00 H new ATOM 313 N VAL A 23 2.152 9.889 -2.588 1.00 1.00 N ATOM 314 CA VAL A 23 2.497 9.795 -4.009 1.00 1.00 C ATOM 315 C VAL A 23 1.379 9.154 -4.823 1.00 1.00 C ATOM 316 O VAL A 23 1.089 9.581 -5.940 1.00 1.00 O ATOM 317 CB VAL A 23 3.751 8.931 -4.154 1.00 1.00 C ATOM 318 CG1 VAL A 23 4.340 9.085 -5.561 1.00 1.00 C ATOM 319 CG2 VAL A 23 4.781 9.364 -3.118 1.00 1.00 C ATOM 0 H VAL A 23 2.221 9.010 -2.076 1.00 1.00 H new ATOM 0 HA VAL A 23 2.661 10.806 -4.383 1.00 1.00 H new ATOM 0 HB VAL A 23 3.486 7.885 -3.996 1.00 1.00 H new ATOM 0 HG11 VAL A 23 5.232 8.465 -5.652 1.00 1.00 H new ATOM 0 HG12 VAL A 23 3.603 8.771 -6.300 1.00 1.00 H new ATOM 0 HG13 VAL A 23 4.604 10.128 -5.733 1.00 1.00 H new ATOM 0 HG21 VAL A 23 5.677 8.751 -3.217 1.00 1.00 H new ATOM 0 HG22 VAL A 23 5.038 10.411 -3.277 1.00 1.00 H new ATOM 0 HG23 VAL A 23 4.366 9.240 -2.118 1.00 1.00 H new ATOM 329 N ILE A 24 0.775 8.110 -4.272 1.00 1.00 N ATOM 330 CA ILE A 24 -0.280 7.404 -4.979 1.00 1.00 C ATOM 331 C ILE A 24 -0.988 6.419 -4.054 1.00 1.00 C ATOM 332 O ILE A 24 -0.486 6.086 -2.980 1.00 1.00 O ATOM 333 CB ILE A 24 0.341 6.680 -6.184 1.00 1.00 C ATOM 334 CG1 ILE A 24 -0.708 5.826 -6.909 1.00 1.00 C ATOM 335 CG2 ILE A 24 1.498 5.792 -5.715 1.00 1.00 C ATOM 336 CD1 ILE A 24 -0.138 5.362 -8.256 1.00 1.00 C ATOM 0 H ILE A 24 0.995 7.738 -3.348 1.00 1.00 H new ATOM 0 HA ILE A 24 -1.030 8.114 -5.327 1.00 1.00 H new ATOM 0 HB ILE A 24 0.716 7.430 -6.881 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -0.978 4.964 -6.299 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -1.619 6.403 -7.066 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.935 5.281 -6.573 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.258 6.408 -5.234 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.126 5.054 -5.004 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -0.880 4.755 -8.775 1.00 1.00 H new ATOM 0 HD12 ILE A 24 0.110 6.231 -8.865 1.00 1.00 H new ATOM 0 HD13 ILE A 24 0.761 4.770 -8.086 1.00 1.00 H new ATOM 348 N ALA A 25 -2.156 5.968 -4.485 1.00 1.00 N ATOM 349 CA ALA A 25 -2.946 5.026 -3.705 1.00 1.00 C ATOM 350 C ALA A 25 -4.063 4.461 -4.556 1.00 1.00 C ATOM 351 O ALA A 25 -4.873 5.203 -5.098 1.00 1.00 O ATOM 352 CB ALA A 25 -3.560 5.720 -2.488 1.00 1.00 C ATOM 0 H ALA A 25 -2.579 6.239 -5.373 1.00 1.00 H new ATOM 0 HA ALA A 25 -2.288 4.224 -3.372 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -4.147 5.001 -1.917 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -2.766 6.121 -1.859 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -4.206 6.533 -2.820 1.00 1.00 H new ATOM 358 N VAL A 26 -4.102 3.150 -4.684 1.00 1.00 N ATOM 359 CA VAL A 26 -5.134 2.499 -5.480 1.00 1.00 C ATOM 360 C VAL A 26 -5.713 1.342 -4.693 1.00 1.00 C ATOM 361 O VAL A 26 -4.990 0.457 -4.241 1.00 1.00 O ATOM 362 CB VAL A 26 -4.531 1.971 -6.774 1.00 1.00 C ATOM 363 CG1 VAL A 26 -5.627 1.394 -7.677 1.00 1.00 C ATOM 364 CG2 VAL A 26 -3.779 3.094 -7.503 1.00 1.00 C ATOM 0 H VAL A 26 -3.435 2.512 -4.250 1.00 1.00 H new ATOM 0 HA VAL A 26 -5.918 3.220 -5.714 1.00 1.00 H new ATOM 0 HB VAL A 26 -3.826 1.175 -6.532 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -5.180 1.020 -8.598 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -6.131 0.577 -7.161 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -6.350 2.174 -7.915 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -3.352 2.705 -8.427 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -4.471 3.904 -7.735 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -2.980 3.471 -6.864 1.00 1.00 H new ATOM 374 N GLN A 27 -7.011 1.385 -4.499 1.00 1.00 N ATOM 375 CA GLN A 27 -7.693 0.360 -3.726 1.00 1.00 C ATOM 376 C GLN A 27 -7.492 -1.019 -4.343 1.00 1.00 C ATOM 377 O GLN A 27 -7.291 -1.147 -5.550 1.00 1.00 O ATOM 378 CB GLN A 27 -9.188 0.686 -3.660 1.00 1.00 C ATOM 379 CG GLN A 27 -9.923 -0.401 -2.881 1.00 1.00 C ATOM 380 CD GLN A 27 -11.343 0.050 -2.581 1.00 1.00 C ATOM 381 OE1 GLN A 27 -11.754 1.134 -2.992 1.00 1.00 O ATOM 382 NE2 GLN A 27 -12.120 -0.721 -1.881 1.00 1.00 N ATOM 0 H GLN A 27 -7.620 2.117 -4.864 1.00 1.00 H new ATOM 0 HA GLN A 27 -7.271 0.345 -2.721 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -9.337 1.653 -3.180 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.597 0.763 -4.667 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -9.940 -1.326 -3.458 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.396 -0.614 -1.951 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.776 -1.619 -1.542 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -13.074 -0.428 -1.671 1.00 1.00 H new ATOM 391 N GLY A 28 -7.535 -2.044 -3.494 1.00 1.00 N ATOM 392 CA GLY A 28 -7.347 -3.416 -3.945 1.00 1.00 C ATOM 393 C GLY A 28 -8.198 -4.380 -3.139 1.00 1.00 C ATOM 394 O GLY A 28 -8.834 -4.001 -2.157 1.00 1.00 O ATOM 0 H GLY A 28 -7.698 -1.948 -2.492 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -7.606 -3.493 -5.001 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -6.296 -3.691 -3.854 1.00 1.00 H new ATOM 398 N VAL A 29 -8.186 -5.638 -3.560 1.00 1.00 N ATOM 399 CA VAL A 29 -8.943 -6.677 -2.874 1.00 1.00 C ATOM 400 C VAL A 29 -7.981 -7.598 -2.146 1.00 1.00 C ATOM 401 O VAL A 29 -6.803 -7.671 -2.485 1.00 1.00 O ATOM 402 CB VAL A 29 -9.763 -7.489 -3.884 1.00 1.00 C ATOM 403 CG1 VAL A 29 -10.849 -8.283 -3.152 1.00 1.00 C ATOM 404 CG2 VAL A 29 -10.416 -6.541 -4.891 1.00 1.00 C ATOM 0 H VAL A 29 -7.661 -5.963 -4.372 1.00 1.00 H new ATOM 0 HA VAL A 29 -9.623 -6.212 -2.160 1.00 1.00 H new ATOM 0 HB VAL A 29 -9.104 -8.181 -4.408 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -11.429 -8.858 -3.874 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -10.384 -8.962 -2.437 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -11.509 -7.595 -2.623 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -10.999 -7.118 -5.609 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -11.072 -5.847 -4.365 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -9.643 -5.981 -5.418 1.00 1.00 H new ATOM 414 N LEU A 30 -8.497 -8.319 -1.167 1.00 1.00 N ATOM 415 CA LEU A 30 -7.701 -9.272 -0.406 1.00 1.00 C ATOM 416 C LEU A 30 -8.570 -10.484 -0.153 1.00 1.00 C ATOM 417 O LEU A 30 -9.645 -10.358 0.433 1.00 1.00 O ATOM 418 CB LEU A 30 -7.261 -8.656 0.933 1.00 1.00 C ATOM 419 CG LEU A 30 -6.442 -9.680 1.742 1.00 1.00 C ATOM 420 CD1 LEU A 30 -5.111 -9.991 1.029 1.00 1.00 C ATOM 421 CD2 LEU A 30 -6.172 -9.117 3.143 1.00 1.00 C ATOM 0 H LEU A 30 -9.473 -8.263 -0.876 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.803 -9.545 -0.960 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.664 -7.762 0.752 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.136 -8.345 1.504 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.009 -10.607 1.825 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.545 -10.716 1.614 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.315 -10.403 0.041 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.530 -9.074 0.927 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -5.593 -9.838 3.719 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.612 -8.186 3.059 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.119 -8.927 3.647 1.00 1.00 H new ATOM 433 N CYS A 31 -8.139 -11.656 -0.606 1.00 1.00 N ATOM 434 CA CYS A 31 -8.932 -12.860 -0.421 1.00 1.00 C ATOM 435 C CYS A 31 -8.383 -13.691 0.720 1.00 1.00 C ATOM 436 O CYS A 31 -7.238 -14.141 0.682 1.00 1.00 O ATOM 437 CB CYS A 31 -8.902 -13.691 -1.702 1.00 1.00 C ATOM 438 SG CYS A 31 -9.296 -12.631 -3.112 1.00 1.00 S ATOM 0 H CYS A 31 -7.256 -11.795 -1.098 1.00 1.00 H new ATOM 0 HA CYS A 31 -9.956 -12.568 -0.186 1.00 1.00 H new ATOM 0 HB2 CYS A 31 -7.918 -14.141 -1.834 1.00 1.00 H new ATOM 0 HB3 CYS A 31 -9.620 -14.509 -1.635 1.00 1.00 H new ATOM 0 HG CYS A 31 -9.290 -13.339 -4.202 1.00 1.00 H new ATOM 444 N LYS A 32 -9.227 -13.927 1.714 1.00 1.00 N ATOM 445 CA LYS A 32 -8.848 -14.750 2.858 1.00 1.00 C ATOM 446 C LYS A 32 -9.829 -15.902 2.981 1.00 1.00 C ATOM 447 O LYS A 32 -11.038 -15.694 3.101 1.00 1.00 O ATOM 448 CB LYS A 32 -8.851 -13.931 4.150 1.00 1.00 C ATOM 449 CG LYS A 32 -8.065 -14.695 5.223 1.00 1.00 C ATOM 450 CD LYS A 32 -8.252 -14.025 6.583 1.00 1.00 C ATOM 451 CE LYS A 32 -7.763 -12.577 6.522 1.00 1.00 C ATOM 452 NZ LYS A 32 -7.508 -12.081 7.904 1.00 1.00 N ATOM 0 H LYS A 32 -10.178 -13.562 1.753 1.00 1.00 H new ATOM 0 HA LYS A 32 -7.838 -15.129 2.700 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -8.401 -12.953 3.978 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -9.874 -13.757 4.484 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -8.406 -15.729 5.268 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -7.007 -14.719 4.963 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -9.303 -14.051 6.869 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -7.700 -14.573 7.347 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -6.852 -12.514 5.928 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -8.508 -11.951 6.031 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -7.175 -11.096 7.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -8.388 -12.127 8.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -6.783 -12.673 8.357 1.00 1.00 H new ATOM 466 N GLY A 33 -9.301 -17.115 2.941 1.00 1.00 N ATOM 467 CA GLY A 33 -10.141 -18.301 3.042 1.00 1.00 C ATOM 468 C GLY A 33 -11.159 -18.346 1.907 1.00 1.00 C ATOM 469 O GLY A 33 -10.799 -18.271 0.732 1.00 1.00 O ATOM 0 H GLY A 33 -8.304 -17.305 2.840 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -9.519 -19.196 3.013 1.00 1.00 H new ATOM 0 HA3 GLY A 33 -10.659 -18.304 4.001 1.00 1.00 H new ATOM 473 N ASP A 34 -12.436 -18.446 2.274 1.00 1.00 N ATOM 474 CA ASP A 34 -13.527 -18.482 1.297 1.00 1.00 C ATOM 475 C ASP A 34 -14.457 -17.299 1.533 1.00 1.00 C ATOM 476 O ASP A 34 -15.670 -17.393 1.340 1.00 1.00 O ATOM 477 CB ASP A 34 -14.304 -19.796 1.430 1.00 1.00 C ATOM 478 CG ASP A 34 -13.482 -20.952 0.862 1.00 1.00 C ATOM 479 OD1 ASP A 34 -12.508 -20.681 0.181 1.00 1.00 O ATOM 480 OD2 ASP A 34 -13.841 -22.091 1.118 1.00 1.00 O ATOM 0 H ASP A 34 -12.743 -18.504 3.245 1.00 1.00 H new ATOM 0 HA ASP A 34 -13.114 -18.420 0.290 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -14.537 -19.985 2.478 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -15.254 -19.721 0.901 1.00 1.00 H new ATOM 485 N SER A 35 -13.863 -16.181 1.949 1.00 1.00 N ATOM 486 CA SER A 35 -14.609 -14.950 2.214 1.00 1.00 C ATOM 487 C SER A 35 -13.889 -13.771 1.567 1.00 1.00 C ATOM 488 O SER A 35 -12.691 -13.583 1.777 1.00 1.00 O ATOM 489 CB SER A 35 -14.707 -14.713 3.722 1.00 1.00 C ATOM 490 OG SER A 35 -15.594 -13.631 3.972 1.00 1.00 O ATOM 0 H SER A 35 -12.859 -16.102 2.111 1.00 1.00 H new ATOM 0 HA SER A 35 -15.612 -15.045 1.798 1.00 1.00 H new ATOM 0 HB2 SER A 35 -15.065 -15.614 4.221 1.00 1.00 H new ATOM 0 HB3 SER A 35 -13.721 -14.492 4.132 1.00 1.00 H new ATOM 0 HG SER A 35 -15.660 -13.478 4.938 1.00 1.00 H new ATOM 496 N ARG A 36 -14.608 -12.988 0.766 1.00 1.00 N ATOM 497 CA ARG A 36 -13.998 -11.845 0.090 1.00 1.00 C ATOM 498 C ARG A 36 -14.013 -10.615 0.983 1.00 1.00 C ATOM 499 O ARG A 36 -14.969 -10.374 1.720 1.00 1.00 O ATOM 500 CB ARG A 36 -14.757 -11.548 -1.209 1.00 1.00 C ATOM 501 CG ARG A 36 -14.722 -12.777 -2.136 1.00 1.00 C ATOM 502 CD ARG A 36 -13.433 -12.784 -2.967 1.00 1.00 C ATOM 503 NE ARG A 36 -13.405 -11.631 -3.858 1.00 1.00 N ATOM 504 CZ ARG A 36 -12.417 -11.456 -4.727 1.00 1.00 C ATOM 505 NH1 ARG A 36 -11.448 -12.326 -4.795 1.00 1.00 N ATOM 506 NH2 ARG A 36 -12.417 -10.415 -5.511 1.00 1.00 N ATOM 0 H ARG A 36 -15.600 -13.121 0.571 1.00 1.00 H new ATOM 0 HA ARG A 36 -12.961 -12.093 -0.138 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -15.790 -11.283 -0.983 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -14.310 -10.691 -1.712 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -14.785 -13.689 -1.543 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -15.588 -12.766 -2.797 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -12.566 -12.765 -2.307 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -13.371 -13.704 -3.548 1.00 1.00 H new ATOM 0 HE ARG A 36 -14.159 -10.945 -3.813 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -11.450 -13.140 -4.181 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -10.688 -12.192 -5.463 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -13.176 -9.736 -5.457 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -11.658 -10.280 -6.179 1.00 1.00 H new ATOM 520 N GLN A 37 -12.933 -9.840 0.913 1.00 1.00 N ATOM 521 CA GLN A 37 -12.795 -8.629 1.717 1.00 1.00 C ATOM 522 C GLN A 37 -12.296 -7.478 0.851 1.00 1.00 C ATOM 523 O GLN A 37 -11.717 -7.695 -0.213 1.00 1.00 O ATOM 524 CB GLN A 37 -11.808 -8.889 2.854 1.00 1.00 C ATOM 525 CG GLN A 37 -12.425 -9.899 3.818 1.00 1.00 C ATOM 526 CD GLN A 37 -11.371 -10.400 4.795 1.00 1.00 C ATOM 527 OE1 GLN A 37 -11.166 -9.808 5.856 1.00 1.00 O ATOM 528 NE2 GLN A 37 -10.686 -11.471 4.495 1.00 1.00 N ATOM 0 H GLN A 37 -12.137 -10.031 0.304 1.00 1.00 H new ATOM 0 HA GLN A 37 -13.766 -8.359 2.131 1.00 1.00 H new ATOM 0 HB2 GLN A 37 -10.867 -9.271 2.458 1.00 1.00 H new ATOM 0 HB3 GLN A 37 -11.580 -7.960 3.376 1.00 1.00 H new ATOM 0 HG2 GLN A 37 -13.248 -9.437 4.364 1.00 1.00 H new ATOM 0 HG3 GLN A 37 -12.843 -10.737 3.261 1.00 1.00 H new ATOM 0 HE21 GLN A 37 -10.859 -11.958 3.615 1.00 1.00 H new ATOM 0 HE22 GLN A 37 -9.978 -11.821 5.140 1.00 1.00 H new ATOM 537 N SER A 38 -12.518 -6.254 1.325 1.00 1.00 N ATOM 538 CA SER A 38 -12.085 -5.056 0.601 1.00 1.00 C ATOM 539 C SER A 38 -11.087 -4.274 1.433 1.00 1.00 C ATOM 540 O SER A 38 -11.349 -3.930 2.586 1.00 1.00 O ATOM 541 CB SER A 38 -13.290 -4.177 0.257 1.00 1.00 C ATOM 542 OG SER A 38 -13.969 -3.810 1.449 1.00 1.00 O ATOM 0 H SER A 38 -12.995 -6.063 2.206 1.00 1.00 H new ATOM 0 HA SER A 38 -11.603 -5.365 -0.327 1.00 1.00 H new ATOM 0 HB2 SER A 38 -12.961 -3.285 -0.276 1.00 1.00 H new ATOM 0 HB3 SER A 38 -13.966 -4.714 -0.408 1.00 1.00 H new ATOM 0 HG SER A 38 -13.346 -3.847 2.205 1.00 1.00 H new ATOM 548 N ARG A 39 -9.930 -4.010 0.836 1.00 1.00 N ATOM 549 CA ARG A 39 -8.861 -3.282 1.509 1.00 1.00 C ATOM 550 C ARG A 39 -8.377 -2.134 0.637 1.00 1.00 C ATOM 551 O ARG A 39 -8.436 -2.203 -0.588 1.00 1.00 O ATOM 552 CB ARG A 39 -7.697 -4.236 1.802 1.00 1.00 C ATOM 553 CG ARG A 39 -6.773 -3.640 2.882 1.00 1.00 C ATOM 554 CD ARG A 39 -7.281 -4.012 4.282 1.00 1.00 C ATOM 555 NE ARG A 39 -7.132 -5.446 4.502 1.00 1.00 N ATOM 556 CZ ARG A 39 -7.836 -6.083 5.432 1.00 1.00 C ATOM 557 NH1 ARG A 39 -8.711 -5.437 6.155 1.00 1.00 N ATOM 558 NH2 ARG A 39 -7.654 -7.362 5.620 1.00 1.00 N ATOM 0 H ARG A 39 -9.708 -4.291 -0.119 1.00 1.00 H new ATOM 0 HA ARG A 39 -9.243 -2.875 2.445 1.00 1.00 H new ATOM 0 HB2 ARG A 39 -8.083 -5.199 2.136 1.00 1.00 H new ATOM 0 HB3 ARG A 39 -7.130 -4.419 0.889 1.00 1.00 H new ATOM 0 HG2 ARG A 39 -5.757 -4.011 2.746 1.00 1.00 H new ATOM 0 HG3 ARG A 39 -6.733 -2.556 2.778 1.00 1.00 H new ATOM 0 HD2 ARG A 39 -6.724 -3.460 5.039 1.00 1.00 H new ATOM 0 HD3 ARG A 39 -8.328 -3.727 4.386 1.00 1.00 H new ATOM 0 HE ARG A 39 -6.472 -5.972 3.929 1.00 1.00 H new ATOM 0 HH11 ARG A 39 -8.857 -4.438 6.007 1.00 1.00 H new ATOM 0 HH12 ARG A 39 -9.248 -5.931 6.867 1.00 1.00 H new ATOM 0 HH21 ARG A 39 -6.973 -7.869 5.054 1.00 1.00 H new ATOM 0 HH22 ARG A 39 -8.192 -7.854 6.333 1.00 1.00 H new ATOM 572 N LEU A 40 -7.896 -1.082 1.288 1.00 1.00 N ATOM 573 CA LEU A 40 -7.391 0.101 0.585 1.00 1.00 C ATOM 574 C LEU A 40 -5.934 0.366 0.961 1.00 1.00 C ATOM 575 O LEU A 40 -5.592 0.422 2.142 1.00 1.00 O ATOM 576 CB LEU A 40 -8.277 1.301 0.942 1.00 1.00 C ATOM 577 CG LEU A 40 -7.913 2.544 0.094 1.00 1.00 C ATOM 578 CD1 LEU A 40 -9.175 3.394 -0.135 1.00 1.00 C ATOM 579 CD2 LEU A 40 -6.866 3.415 0.814 1.00 1.00 C ATOM 0 H LEU A 40 -7.843 -1.020 2.305 1.00 1.00 H new ATOM 0 HA LEU A 40 -7.426 -0.066 -0.492 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -9.324 1.043 0.781 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -8.165 1.535 2.001 1.00 1.00 H new ATOM 0 HG LEU A 40 -7.502 2.199 -0.855 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -8.920 4.270 -0.732 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -9.923 2.801 -0.661 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -9.577 3.714 0.826 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -6.628 4.282 0.197 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -7.267 3.750 1.771 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -5.962 2.831 0.984 1.00 1.00 H new ATOM 591 N LEU A 41 -5.066 0.510 -0.045 1.00 1.00 N ATOM 592 CA LEU A 41 -3.641 0.752 0.197 1.00 1.00 C ATOM 593 C LEU A 41 -3.277 2.196 -0.116 1.00 1.00 C ATOM 594 O LEU A 41 -4.093 2.948 -0.644 1.00 1.00 O ATOM 595 CB LEU A 41 -2.798 -0.155 -0.702 1.00 1.00 C ATOM 596 CG LEU A 41 -3.062 -1.637 -0.370 1.00 1.00 C ATOM 597 CD1 LEU A 41 -4.341 -2.140 -1.065 1.00 1.00 C ATOM 598 CD2 LEU A 41 -1.867 -2.480 -0.834 1.00 1.00 C ATOM 0 H LEU A 41 -5.324 0.463 -1.031 1.00 1.00 H new ATOM 0 HA LEU A 41 -3.441 0.542 1.248 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -3.035 0.038 -1.748 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -1.740 0.071 -0.568 1.00 1.00 H new ATOM 0 HG LEU A 41 -3.195 -1.732 0.708 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -4.503 -3.188 -0.814 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -5.194 -1.550 -0.729 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -4.232 -2.038 -2.145 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -2.049 -3.529 -0.601 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -1.736 -2.365 -1.910 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -0.965 -2.146 -0.321 1.00 1.00 H new ATOM 610 N GLY A 42 -2.038 2.570 0.198 1.00 1.00 N ATOM 611 CA GLY A 42 -1.578 3.927 -0.077 1.00 1.00 C ATOM 612 C GLY A 42 -0.085 4.080 0.199 1.00 1.00 C ATOM 613 O GLY A 42 0.348 4.048 1.347 1.00 1.00 O ATOM 0 H GLY A 42 -1.345 1.963 0.636 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.784 4.178 -1.118 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -2.137 4.633 0.538 1.00 1.00 H new ATOM 617 N LEU A 43 0.696 4.250 -0.863 1.00 1.00 N ATOM 618 CA LEU A 43 2.140 4.420 -0.721 1.00 1.00 C ATOM 619 C LEU A 43 2.454 5.864 -0.357 1.00 1.00 C ATOM 620 O LEU A 43 1.895 6.792 -0.942 1.00 1.00 O ATOM 621 CB LEU A 43 2.839 4.037 -2.032 1.00 1.00 C ATOM 622 CG LEU A 43 4.335 4.379 -1.983 1.00 1.00 C ATOM 623 CD1 LEU A 43 5.006 3.655 -0.812 1.00 1.00 C ATOM 624 CD2 LEU A 43 4.983 3.929 -3.295 1.00 1.00 C ATOM 0 H LEU A 43 0.358 4.274 -1.825 1.00 1.00 H new ATOM 0 HA LEU A 43 2.504 3.770 0.074 1.00 1.00 H new ATOM 0 HB2 LEU A 43 2.713 2.970 -2.216 1.00 1.00 H new ATOM 0 HB3 LEU A 43 2.370 4.562 -2.864 1.00 1.00 H new ATOM 0 HG LEU A 43 4.458 5.454 -1.848 1.00 1.00 H new ATOM 0 HD11 LEU A 43 6.066 3.906 -0.789 1.00 1.00 H new ATOM 0 HD12 LEU A 43 4.539 3.965 0.123 1.00 1.00 H new ATOM 0 HD13 LEU A 43 4.891 2.578 -0.936 1.00 1.00 H new ATOM 0 HD21 LEU A 43 6.047 4.165 -3.275 1.00 1.00 H new ATOM 0 HD22 LEU A 43 4.852 2.854 -3.415 1.00 1.00 H new ATOM 0 HD23 LEU A 43 4.512 4.447 -4.130 1.00 1.00 H new ATOM 636 N VAL A 44 3.333 6.062 0.621 1.00 1.00 N ATOM 637 CA VAL A 44 3.681 7.415 1.054 1.00 1.00 C ATOM 638 C VAL A 44 5.176 7.561 1.281 1.00 1.00 C ATOM 639 O VAL A 44 5.824 6.687 1.858 1.00 1.00 O ATOM 640 CB VAL A 44 2.946 7.735 2.350 1.00 1.00 C ATOM 641 CG1 VAL A 44 3.115 9.218 2.714 1.00 1.00 C ATOM 642 CG2 VAL A 44 1.461 7.408 2.176 1.00 1.00 C ATOM 0 H VAL A 44 3.813 5.315 1.124 1.00 1.00 H new ATOM 0 HA VAL A 44 3.386 8.108 0.266 1.00 1.00 H new ATOM 0 HB VAL A 44 3.365 7.134 3.157 1.00 1.00 H new ATOM 0 HG11 VAL A 44 2.583 9.428 3.642 1.00 1.00 H new ATOM 0 HG12 VAL A 44 4.174 9.442 2.844 1.00 1.00 H new ATOM 0 HG13 VAL A 44 2.708 9.837 1.915 1.00 1.00 H new ATOM 0 HG21 VAL A 44 0.928 7.634 3.099 1.00 1.00 H new ATOM 0 HG22 VAL A 44 1.049 8.007 1.363 1.00 1.00 H new ATOM 0 HG23 VAL A 44 1.347 6.350 1.941 1.00 1.00 H new ATOM 652 N ARG A 45 5.700 8.702 0.851 1.00 1.00 N ATOM 653 CA ARG A 45 7.113 9.021 1.027 1.00 1.00 C ATOM 654 C ARG A 45 7.239 10.242 1.924 1.00 1.00 C ATOM 655 O ARG A 45 6.440 11.176 1.837 1.00 1.00 O ATOM 656 CB ARG A 45 7.771 9.303 -0.326 1.00 1.00 C ATOM 657 CG ARG A 45 7.159 10.555 -0.959 1.00 1.00 C ATOM 658 CD ARG A 45 7.815 10.809 -2.313 1.00 1.00 C ATOM 659 NE ARG A 45 7.219 11.980 -2.942 1.00 1.00 N ATOM 660 CZ ARG A 45 7.682 12.449 -4.094 1.00 1.00 C ATOM 661 NH1 ARG A 45 8.677 11.849 -4.685 1.00 1.00 N ATOM 662 NH2 ARG A 45 7.138 13.505 -4.632 1.00 1.00 N ATOM 0 H ARG A 45 5.164 9.427 0.374 1.00 1.00 H new ATOM 0 HA ARG A 45 7.617 8.170 1.486 1.00 1.00 H new ATOM 0 HB2 ARG A 45 8.844 9.440 -0.195 1.00 1.00 H new ATOM 0 HB3 ARG A 45 7.637 8.448 -0.989 1.00 1.00 H new ATOM 0 HG2 ARG A 45 6.084 10.426 -1.082 1.00 1.00 H new ATOM 0 HG3 ARG A 45 7.304 11.415 -0.305 1.00 1.00 H new ATOM 0 HD2 ARG A 45 8.887 10.961 -2.185 1.00 1.00 H new ATOM 0 HD3 ARG A 45 7.691 9.938 -2.956 1.00 1.00 H new ATOM 0 HE ARG A 45 6.433 12.447 -2.490 1.00 1.00 H new ATOM 0 HH11 ARG A 45 9.097 11.022 -4.262 1.00 1.00 H new ATOM 0 HH12 ARG A 45 9.035 12.207 -5.570 1.00 1.00 H new ATOM 0 HH21 ARG A 45 6.358 13.969 -4.167 1.00 1.00 H new ATOM 0 HH22 ARG A 45 7.493 13.867 -5.517 1.00 1.00 H new ATOM 676 N TYR A 46 8.234 10.224 2.793 1.00 1.00 N ATOM 677 CA TYR A 46 8.464 11.326 3.721 1.00 1.00 C ATOM 678 C TYR A 46 9.946 11.693 3.721 1.00 1.00 C ATOM 679 O TYR A 46 10.804 10.812 3.739 1.00 1.00 O ATOM 680 CB TYR A 46 8.006 10.886 5.110 1.00 1.00 C ATOM 681 CG TYR A 46 8.361 11.940 6.126 1.00 1.00 C ATOM 682 CD1 TYR A 46 7.766 13.204 6.053 1.00 1.00 C ATOM 683 CD2 TYR A 46 9.277 11.654 7.146 1.00 1.00 C ATOM 684 CE1 TYR A 46 8.087 14.182 6.999 1.00 1.00 C ATOM 685 CE2 TYR A 46 9.598 12.632 8.090 1.00 1.00 C ATOM 686 CZ TYR A 46 9.005 13.895 8.017 1.00 1.00 C ATOM 687 OH TYR A 46 9.327 14.857 8.949 1.00 1.00 O ATOM 0 H TYR A 46 8.900 9.456 2.878 1.00 1.00 H new ATOM 0 HA TYR A 46 7.900 12.209 3.420 1.00 1.00 H new ATOM 0 HB2 TYR A 46 6.929 10.716 5.110 1.00 1.00 H new ATOM 0 HB3 TYR A 46 8.478 9.940 5.375 1.00 1.00 H new ATOM 0 HD1 TYR A 46 7.059 13.424 5.267 1.00 1.00 H new ATOM 0 HD2 TYR A 46 9.735 10.678 7.203 1.00 1.00 H new ATOM 0 HE1 TYR A 46 7.628 15.158 6.945 1.00 1.00 H new ATOM 0 HE2 TYR A 46 10.305 12.412 8.876 1.00 1.00 H new ATOM 0 HH TYR A 46 8.670 15.583 8.910 1.00 1.00 H new ATOM 697 N ARG A 47 10.250 12.994 3.684 1.00 1.00 N ATOM 698 CA ARG A 47 11.645 13.450 3.660 1.00 1.00 C ATOM 699 C ARG A 47 12.144 13.787 5.060 1.00 1.00 C ATOM 700 O ARG A 47 11.375 14.206 5.923 1.00 1.00 O ATOM 701 CB ARG A 47 11.783 14.685 2.758 1.00 1.00 C ATOM 702 CG ARG A 47 10.954 15.849 3.317 1.00 1.00 C ATOM 703 CD ARG A 47 11.110 17.074 2.413 1.00 1.00 C ATOM 704 NE ARG A 47 10.353 18.194 2.957 1.00 1.00 N ATOM 705 CZ ARG A 47 10.099 19.278 2.230 1.00 1.00 C ATOM 706 NH1 ARG A 47 10.548 19.364 1.006 1.00 1.00 N ATOM 707 NH2 ARG A 47 9.406 20.258 2.739 1.00 1.00 N ATOM 0 H ARG A 47 9.558 13.743 3.670 1.00 1.00 H new ATOM 0 HA ARG A 47 12.252 12.636 3.264 1.00 1.00 H new ATOM 0 HB2 ARG A 47 12.831 14.977 2.688 1.00 1.00 H new ATOM 0 HB3 ARG A 47 11.450 14.445 1.748 1.00 1.00 H new ATOM 0 HG2 ARG A 47 9.904 15.563 3.380 1.00 1.00 H new ATOM 0 HG3 ARG A 47 11.281 16.088 4.329 1.00 1.00 H new ATOM 0 HD2 ARG A 47 12.163 17.343 2.329 1.00 1.00 H new ATOM 0 HD3 ARG A 47 10.759 16.841 1.408 1.00 1.00 H new ATOM 0 HE ARG A 47 10.010 18.145 3.917 1.00 1.00 H new ATOM 0 HH11 ARG A 47 11.093 18.600 0.608 1.00 1.00 H new ATOM 0 HH12 ARG A 47 10.353 20.196 0.449 1.00 1.00 H new ATOM 0 HH21 ARG A 47 9.058 20.194 3.696 1.00 1.00 H new ATOM 0 HH22 ARG A 47 9.212 21.089 2.181 1.00 1.00 H new ATOM 721 N LEU A 48 13.451 13.612 5.274 1.00 1.00 N ATOM 722 CA LEU A 48 14.065 13.910 6.570 1.00 1.00 C ATOM 723 C LEU A 48 14.813 15.235 6.514 1.00 1.00 C ATOM 724 O LEU A 48 15.488 15.541 5.530 1.00 1.00 O ATOM 725 CB LEU A 48 15.048 12.804 6.962 1.00 1.00 C ATOM 726 CG LEU A 48 14.309 11.470 7.145 1.00 1.00 C ATOM 727 CD1 LEU A 48 15.336 10.354 7.368 1.00 1.00 C ATOM 728 CD2 LEU A 48 13.363 11.542 8.356 1.00 1.00 C ATOM 0 H LEU A 48 14.102 13.267 4.569 1.00 1.00 H new ATOM 0 HA LEU A 48 13.269 13.972 7.312 1.00 1.00 H new ATOM 0 HB2 LEU A 48 15.814 12.700 6.193 1.00 1.00 H new ATOM 0 HB3 LEU A 48 15.559 13.074 7.886 1.00 1.00 H new ATOM 0 HG LEU A 48 13.720 11.264 6.251 1.00 1.00 H new ATOM 0 HD11 LEU A 48 14.818 9.404 7.499 1.00 1.00 H new ATOM 0 HD12 LEU A 48 15.998 10.291 6.504 1.00 1.00 H new ATOM 0 HD13 LEU A 48 15.923 10.573 8.260 1.00 1.00 H new ATOM 0 HD21 LEU A 48 12.847 10.589 8.472 1.00 1.00 H new ATOM 0 HD22 LEU A 48 13.940 11.754 9.256 1.00 1.00 H new ATOM 0 HD23 LEU A 48 12.631 12.334 8.199 1.00 1.00 H new ATOM 740 N GLU A 49 14.691 16.009 7.583 1.00 1.00 N ATOM 741 CA GLU A 49 15.359 17.300 7.665 1.00 1.00 C ATOM 742 C GLU A 49 16.841 17.157 7.340 1.00 1.00 C ATOM 743 O GLU A 49 17.552 18.150 7.186 1.00 1.00 O ATOM 744 CB GLU A 49 15.193 17.872 9.075 1.00 1.00 C ATOM 745 CG GLU A 49 15.802 16.906 10.094 1.00 1.00 C ATOM 746 CD GLU A 49 15.587 17.432 11.509 1.00 1.00 C ATOM 747 OE1 GLU A 49 15.585 18.640 11.675 1.00 1.00 O ATOM 748 OE2 GLU A 49 15.432 16.619 12.405 1.00 1.00 O ATOM 0 H GLU A 49 14.137 15.766 8.404 1.00 1.00 H new ATOM 0 HA GLU A 49 14.908 17.976 6.939 1.00 1.00 H new ATOM 0 HB2 GLU A 49 15.680 18.845 9.144 1.00 1.00 H new ATOM 0 HB3 GLU A 49 14.137 18.029 9.293 1.00 1.00 H new ATOM 0 HG2 GLU A 49 15.346 15.921 9.991 1.00 1.00 H new ATOM 0 HG3 GLU A 49 16.868 16.786 9.901 1.00 1.00 H new ATOM 755 N ASN A 50 17.301 15.912 7.241 1.00 1.00 N ATOM 756 CA ASN A 50 18.702 15.642 6.939 1.00 1.00 C ATOM 757 C ASN A 50 18.925 15.593 5.431 1.00 1.00 C ATOM 758 O ASN A 50 20.053 15.406 4.977 1.00 1.00 O ATOM 759 CB ASN A 50 19.108 14.303 7.555 1.00 1.00 C ATOM 760 CG ASN A 50 19.064 14.399 9.075 1.00 1.00 C ATOM 761 OD1 ASN A 50 19.433 15.426 9.644 1.00 1.00 O ATOM 762 ND2 ASN A 50 18.624 13.387 9.771 1.00 1.00 N ATOM 0 H ASN A 50 16.726 15.079 7.365 1.00 1.00 H new ATOM 0 HA ASN A 50 19.310 16.443 7.359 1.00 1.00 H new ATOM 0 HB2 ASN A 50 18.437 13.516 7.212 1.00 1.00 H new ATOM 0 HB3 ASN A 50 20.112 14.031 7.228 1.00 1.00 H new ATOM 0 HD21 ASN A 50 18.585 13.446 10.789 1.00 1.00 H new ATOM 0 HD22 ASN A 50 18.319 12.537 9.298 1.00 1.00 H new ATOM 769 N ASP A 51 17.832 15.729 4.674 1.00 1.00 N ATOM 770 CA ASP A 51 17.878 15.671 3.209 1.00 1.00 C ATOM 771 C ASP A 51 17.681 14.226 2.760 1.00 1.00 C ATOM 772 O ASP A 51 17.500 13.943 1.576 1.00 1.00 O ATOM 773 CB ASP A 51 19.220 16.222 2.676 1.00 1.00 C ATOM 774 CG ASP A 51 19.056 16.790 1.271 1.00 1.00 C ATOM 775 OD1 ASP A 51 18.012 16.571 0.682 1.00 1.00 O ATOM 776 OD2 ASP A 51 19.979 17.440 0.809 1.00 1.00 O ATOM 0 H ASP A 51 16.898 15.881 5.055 1.00 1.00 H new ATOM 0 HA ASP A 51 17.080 16.292 2.803 1.00 1.00 H new ATOM 0 HB2 ASP A 51 19.590 16.998 3.345 1.00 1.00 H new ATOM 0 HB3 ASP A 51 19.966 15.427 2.666 1.00 1.00 H new ATOM 781 N ALA A 52 17.715 13.315 3.733 1.00 1.00 N ATOM 782 CA ALA A 52 17.539 11.893 3.464 1.00 1.00 C ATOM 783 C ALA A 52 16.067 11.556 3.242 1.00 1.00 C ATOM 784 O ALA A 52 15.192 12.038 3.961 1.00 1.00 O ATOM 785 CB ALA A 52 18.079 11.081 4.642 1.00 1.00 C ATOM 0 H ALA A 52 17.863 13.541 4.717 1.00 1.00 H new ATOM 0 HA ALA A 52 18.089 11.642 2.557 1.00 1.00 H new ATOM 0 HB1 ALA A 52 17.948 10.018 4.442 1.00 1.00 H new ATOM 0 HB2 ALA A 52 19.139 11.297 4.777 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.536 11.349 5.548 1.00 1.00 H new ATOM 791 N GLN A 53 15.808 10.731 2.231 1.00 1.00 N ATOM 792 CA GLN A 53 14.442 10.328 1.894 1.00 1.00 C ATOM 793 C GLN A 53 14.114 8.968 2.500 1.00 1.00 C ATOM 794 O GLN A 53 14.994 8.130 2.682 1.00 1.00 O ATOM 795 CB GLN A 53 14.299 10.248 0.376 1.00 1.00 C ATOM 796 CG GLN A 53 14.589 11.618 -0.237 1.00 1.00 C ATOM 797 CD GLN A 53 13.546 12.629 0.224 1.00 1.00 C ATOM 798 OE1 GLN A 53 13.832 13.823 0.307 1.00 1.00 O ATOM 799 NE2 GLN A 53 12.347 12.219 0.538 1.00 1.00 N ATOM 0 H GLN A 53 16.526 10.327 1.629 1.00 1.00 H new ATOM 0 HA GLN A 53 13.752 11.068 2.299 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.988 9.505 -0.026 1.00 1.00 H new ATOM 0 HB3 GLN A 53 13.292 9.925 0.112 1.00 1.00 H new ATOM 0 HG2 GLN A 53 15.585 11.952 0.055 1.00 1.00 H new ATOM 0 HG3 GLN A 53 14.582 11.547 -1.325 1.00 1.00 H new ATOM 0 HE21 GLN A 53 12.112 11.229 0.468 1.00 1.00 H new ATOM 0 HE22 GLN A 53 11.645 12.889 0.853 1.00 1.00 H new ATOM 808 N GLU A 54 12.832 8.753 2.792 1.00 1.00 N ATOM 809 CA GLU A 54 12.378 7.482 3.359 1.00 1.00 C ATOM 810 C GLU A 54 10.993 7.135 2.821 1.00 1.00 C ATOM 811 O GLU A 54 10.173 8.017 2.564 1.00 1.00 O ATOM 812 CB GLU A 54 12.347 7.552 4.894 1.00 1.00 C ATOM 813 CG GLU A 54 13.772 7.700 5.450 1.00 1.00 C ATOM 814 CD GLU A 54 14.618 6.484 5.077 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.039 5.450 4.786 1.00 1.00 O ATOM 816 OE2 GLU A 54 15.831 6.607 5.088 1.00 1.00 O ATOM 0 H GLU A 54 12.091 9.439 2.646 1.00 1.00 H new ATOM 0 HA GLU A 54 13.080 6.702 3.065 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.735 8.395 5.214 1.00 1.00 H new ATOM 0 HB3 GLU A 54 11.884 6.651 5.297 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.231 8.606 5.054 1.00 1.00 H new ATOM 0 HG3 GLU A 54 13.737 7.808 6.534 1.00 1.00 H new ATOM 823 N HIS A 55 10.748 5.835 2.641 1.00 1.00 N ATOM 824 CA HIS A 55 9.467 5.352 2.115 1.00 1.00 C ATOM 825 C HIS A 55 8.914 4.231 2.985 1.00 1.00 C ATOM 826 O HIS A 55 9.664 3.519 3.652 1.00 1.00 O ATOM 827 CB HIS A 55 9.661 4.808 0.700 1.00 1.00 C ATOM 828 CG HIS A 55 10.069 5.918 -0.228 1.00 1.00 C ATOM 829 ND1 HIS A 55 11.326 6.499 -0.177 1.00 1.00 N ATOM 830 CD2 HIS A 55 9.401 6.556 -1.242 1.00 1.00 C ATOM 831 CE1 HIS A 55 11.377 7.441 -1.136 1.00 1.00 C ATOM 832 NE2 HIS A 55 10.230 7.517 -1.814 1.00 1.00 N ATOM 0 H HIS A 55 11.420 5.097 2.852 1.00 1.00 H new ATOM 0 HA HIS A 55 8.768 6.188 2.111 1.00 1.00 H new ATOM 0 HB2 HIS A 55 10.422 4.028 0.703 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.737 4.350 0.348 1.00 1.00 H new ATOM 0 HD2 HIS A 55 8.387 6.345 -1.549 1.00 1.00 H new ATOM 0 HE1 HIS A 55 12.240 8.060 -1.333 1.00 1.00 H new ATOM 0 HE2 HIS A 55 10.008 8.145 -2.586 1.00 1.00 H new ATOM 840 N ALA A 56 7.595 4.071 2.959 1.00 1.00 N ATOM 841 CA ALA A 56 6.931 3.028 3.727 1.00 1.00 C ATOM 842 C ALA A 56 5.601 2.681 3.054 1.00 1.00 C ATOM 843 O ALA A 56 4.956 3.546 2.462 1.00 1.00 O ATOM 844 CB ALA A 56 6.690 3.505 5.162 1.00 1.00 C ATOM 0 H ALA A 56 6.963 4.655 2.411 1.00 1.00 H new ATOM 0 HA ALA A 56 7.563 2.140 3.761 1.00 1.00 H new ATOM 0 HB1 ALA A 56 6.193 2.718 5.728 1.00 1.00 H new ATOM 0 HB2 ALA A 56 7.645 3.742 5.632 1.00 1.00 H new ATOM 0 HB3 ALA A 56 6.061 4.395 5.149 1.00 1.00 H new ATOM 850 N LEU A 57 5.198 1.412 3.135 1.00 1.00 N ATOM 851 CA LEU A 57 3.939 0.970 2.518 1.00 1.00 C ATOM 852 C LEU A 57 2.830 0.964 3.561 1.00 1.00 C ATOM 853 O LEU A 57 2.704 0.028 4.349 1.00 1.00 O ATOM 854 CB LEU A 57 4.117 -0.427 1.897 1.00 1.00 C ATOM 855 CG LEU A 57 2.781 -0.957 1.355 1.00 1.00 C ATOM 856 CD1 LEU A 57 2.201 0.022 0.323 1.00 1.00 C ATOM 857 CD2 LEU A 57 3.017 -2.315 0.687 1.00 1.00 C ATOM 0 H LEU A 57 5.716 0.676 3.616 1.00 1.00 H new ATOM 0 HA LEU A 57 3.663 1.663 1.723 1.00 1.00 H new ATOM 0 HB2 LEU A 57 4.849 -0.381 1.091 1.00 1.00 H new ATOM 0 HB3 LEU A 57 4.510 -1.115 2.645 1.00 1.00 H new ATOM 0 HG LEU A 57 2.075 -1.062 2.179 1.00 1.00 H new ATOM 0 HD11 LEU A 57 1.254 -0.365 -0.054 1.00 1.00 H new ATOM 0 HD12 LEU A 57 2.035 0.991 0.794 1.00 1.00 H new ATOM 0 HD13 LEU A 57 2.901 0.136 -0.504 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.073 -2.699 0.299 1.00 1.00 H new ATOM 0 HD22 LEU A 57 3.726 -2.199 -0.133 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.420 -3.015 1.419 1.00 1.00 H new ATOM 869 N PHE A 58 2.047 2.039 3.577 1.00 1.00 N ATOM 870 CA PHE A 58 0.971 2.176 4.544 1.00 1.00 C ATOM 871 C PHE A 58 -0.238 1.336 4.145 1.00 1.00 C ATOM 872 O PHE A 58 -0.573 1.223 2.966 1.00 1.00 O ATOM 873 CB PHE A 58 0.562 3.647 4.647 1.00 1.00 C ATOM 874 CG PHE A 58 1.623 4.438 5.368 1.00 1.00 C ATOM 875 CD1 PHE A 58 2.740 4.898 4.664 1.00 1.00 C ATOM 876 CD2 PHE A 58 1.490 4.720 6.731 1.00 1.00 C ATOM 877 CE1 PHE A 58 3.727 5.640 5.319 1.00 1.00 C ATOM 878 CE2 PHE A 58 2.480 5.465 7.391 1.00 1.00 C ATOM 879 CZ PHE A 58 3.599 5.924 6.684 1.00 1.00 C ATOM 0 H PHE A 58 2.140 2.824 2.932 1.00 1.00 H new ATOM 0 HA PHE A 58 1.330 1.821 5.510 1.00 1.00 H new ATOM 0 HB2 PHE A 58 0.407 4.059 3.650 1.00 1.00 H new ATOM 0 HB3 PHE A 58 -0.387 3.731 5.177 1.00 1.00 H new ATOM 0 HD1 PHE A 58 2.840 4.679 3.611 1.00 1.00 H new ATOM 0 HD2 PHE A 58 0.627 4.365 7.275 1.00 1.00 H new ATOM 0 HE1 PHE A 58 4.588 5.994 4.772 1.00 1.00 H new ATOM 0 HE2 PHE A 58 2.379 5.684 8.444 1.00 1.00 H new ATOM 0 HZ PHE A 58 4.362 6.496 7.191 1.00 1.00 H new ATOM 889 N LEU A 59 -0.911 0.784 5.152 1.00 1.00 N ATOM 890 CA LEU A 59 -2.118 -0.012 4.931 1.00 1.00 C ATOM 891 C LEU A 59 -3.296 0.720 5.546 1.00 1.00 C ATOM 892 O LEU A 59 -3.253 1.129 6.708 1.00 1.00 O ATOM 893 CB LEU A 59 -1.980 -1.404 5.559 1.00 1.00 C ATOM 894 CG LEU A 59 -3.177 -2.284 5.156 1.00 1.00 C ATOM 895 CD1 LEU A 59 -3.162 -2.563 3.636 1.00 1.00 C ATOM 896 CD2 LEU A 59 -3.120 -3.609 5.928 1.00 1.00 C ATOM 0 H LEU A 59 -0.641 0.873 6.132 1.00 1.00 H new ATOM 0 HA LEU A 59 -2.272 -0.144 3.860 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -1.050 -1.869 5.232 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -1.930 -1.319 6.645 1.00 1.00 H new ATOM 0 HG LEU A 59 -4.099 -1.756 5.400 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -4.016 -3.187 3.372 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -3.219 -1.620 3.092 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -2.240 -3.080 3.370 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -3.967 -4.233 5.643 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.191 -4.128 5.691 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -3.161 -3.408 6.999 1.00 1.00 H new ATOM 908 N TYR A 60 -4.331 0.908 4.747 1.00 1.00 N ATOM 909 CA TYR A 60 -5.526 1.617 5.182 1.00 1.00 C ATOM 910 C TYR A 60 -6.738 0.701 5.071 1.00 1.00 C ATOM 911 O TYR A 60 -6.960 0.101 4.020 1.00 1.00 O ATOM 912 CB TYR A 60 -5.750 2.814 4.256 1.00 1.00 C ATOM 913 CG TYR A 60 -4.577 3.769 4.304 1.00 1.00 C ATOM 914 CD1 TYR A 60 -3.494 3.604 3.431 1.00 1.00 C ATOM 915 CD2 TYR A 60 -4.589 4.838 5.200 1.00 1.00 C ATOM 916 CE1 TYR A 60 -2.429 4.506 3.461 1.00 1.00 C ATOM 917 CE2 TYR A 60 -3.519 5.740 5.235 1.00 1.00 C ATOM 918 CZ TYR A 60 -2.438 5.573 4.364 1.00 1.00 C ATOM 919 OH TYR A 60 -1.384 6.464 4.389 1.00 1.00 O ATOM 0 H TYR A 60 -4.369 0.576 3.783 1.00 1.00 H new ATOM 0 HA TYR A 60 -5.398 1.940 6.215 1.00 1.00 H new ATOM 0 HB2 TYR A 60 -5.896 2.464 3.234 1.00 1.00 H new ATOM 0 HB3 TYR A 60 -6.661 3.337 4.547 1.00 1.00 H new ATOM 0 HD1 TYR A 60 -3.483 2.779 2.734 1.00 1.00 H new ATOM 0 HD2 TYR A 60 -5.427 4.970 5.869 1.00 1.00 H new ATOM 0 HE1 TYR A 60 -1.596 4.379 2.785 1.00 1.00 H new ATOM 0 HE2 TYR A 60 -3.528 6.564 5.934 1.00 1.00 H new ATOM 0 HH TYR A 60 -1.548 7.146 5.073 1.00 1.00 H new ATOM 929 N THR A 61 -7.558 0.609 6.117 1.00 1.00 N ATOM 930 CA THR A 61 -8.755 -0.225 6.018 1.00 1.00 C ATOM 931 C THR A 61 -9.848 0.591 5.365 1.00 1.00 C ATOM 932 O THR A 61 -9.780 1.815 5.349 1.00 1.00 O ATOM 933 CB THR A 61 -9.239 -0.711 7.383 1.00 1.00 C ATOM 934 OG1 THR A 61 -10.498 -1.354 7.221 1.00 1.00 O ATOM 935 CG2 THR A 61 -9.394 0.475 8.334 1.00 1.00 C ATOM 0 H THR A 61 -7.425 1.082 7.011 1.00 1.00 H new ATOM 0 HA THR A 61 -8.509 -1.108 5.428 1.00 1.00 H new ATOM 0 HB THR A 61 -8.513 -1.408 7.801 1.00 1.00 H new ATOM 0 HG1 THR A 61 -10.817 -1.672 8.091 1.00 1.00 H new ATOM 0 HG21 THR A 61 -9.739 0.120 9.305 1.00 1.00 H new ATOM 0 HG22 THR A 61 -8.433 0.975 8.451 1.00 1.00 H new ATOM 0 HG23 THR A 61 -10.121 1.177 7.925 1.00 1.00 H new ATOM 943 N HIS A 62 -10.852 -0.070 4.835 1.00 1.00 N ATOM 944 CA HIS A 62 -11.940 0.642 4.184 1.00 1.00 C ATOM 945 C HIS A 62 -13.144 -0.278 4.049 1.00 1.00 C ATOM 946 O HIS A 62 -13.002 -1.492 3.915 1.00 1.00 O ATOM 947 CB HIS A 62 -11.457 1.156 2.801 1.00 1.00 C ATOM 948 CG HIS A 62 -12.426 0.772 1.704 1.00 1.00 C ATOM 949 ND1 HIS A 62 -13.675 1.359 1.579 1.00 1.00 N ATOM 950 CD2 HIS A 62 -12.357 -0.175 0.716 1.00 1.00 C ATOM 951 CE1 HIS A 62 -14.303 0.761 0.551 1.00 1.00 C ATOM 952 NE2 HIS A 62 -13.546 -0.183 -0.008 1.00 1.00 N ATOM 0 H HIS A 62 -10.943 -1.086 4.838 1.00 1.00 H new ATOM 0 HA HIS A 62 -12.242 1.501 4.783 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -11.349 2.240 2.831 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -10.472 0.743 2.581 1.00 1.00 H new ATOM 0 HD1 HIS A 62 -14.050 2.108 2.161 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -11.509 -0.817 0.528 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -15.299 1.015 0.219 1.00 1.00 H new ATOM 960 N ARG A 63 -14.326 0.314 4.077 1.00 1.00 N ATOM 961 CA ARG A 63 -15.558 -0.441 3.949 1.00 1.00 C ATOM 962 C ARG A 63 -16.525 0.289 3.052 1.00 1.00 C ATOM 963 O ARG A 63 -16.166 1.252 2.375 1.00 1.00 O ATOM 964 CB ARG A 63 -16.196 -0.618 5.318 1.00 1.00 C ATOM 965 CG ARG A 63 -15.166 -1.196 6.318 1.00 1.00 C ATOM 966 CD ARG A 63 -14.512 -0.070 7.125 1.00 1.00 C ATOM 967 NE ARG A 63 -15.472 0.486 8.070 1.00 1.00 N ATOM 968 CZ ARG A 63 -15.644 -0.044 9.277 1.00 1.00 C ATOM 969 NH1 ARG A 63 -14.953 -1.091 9.640 1.00 1.00 N ATOM 970 NH2 ARG A 63 -16.507 0.484 10.102 1.00 1.00 N ATOM 0 H ARG A 63 -14.457 1.319 4.188 1.00 1.00 H new ATOM 0 HA ARG A 63 -15.326 -1.415 3.518 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -16.567 0.340 5.681 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -17.055 -1.285 5.243 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -15.659 -1.896 6.993 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -14.402 -1.756 5.779 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -13.642 -0.452 7.659 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -14.156 0.711 6.453 1.00 1.00 H new ATOM 0 HE ARG A 63 -16.024 1.300 7.799 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -14.278 -1.505 8.997 1.00 1.00 H new ATOM 0 HH12 ARG A 63 -15.088 -1.495 10.567 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -17.048 1.302 9.820 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -16.641 0.079 11.029 1.00 1.00 H new ATOM 984 N ARG A 64 -17.763 -0.165 3.063 1.00 1.00 N ATOM 985 CA ARG A 64 -18.795 0.450 2.253 1.00 1.00 C ATOM 986 C ARG A 64 -19.030 1.899 2.692 1.00 1.00 C ATOM 987 O ARG A 64 -20.079 2.478 2.418 1.00 1.00 O ATOM 988 CB ARG A 64 -20.094 -0.352 2.393 1.00 1.00 C ATOM 989 CG ARG A 64 -21.022 -0.077 1.193 1.00 1.00 C ATOM 990 CD ARG A 64 -20.728 -1.073 0.066 1.00 1.00 C ATOM 991 NE ARG A 64 -21.059 -2.426 0.494 1.00 1.00 N ATOM 992 CZ ARG A 64 -20.637 -3.485 -0.187 1.00 1.00 C ATOM 993 NH1 ARG A 64 -19.908 -3.320 -1.256 1.00 1.00 N ATOM 994 NH2 ARG A 64 -20.948 -4.687 0.213 1.00 1.00 N ATOM 0 H ARG A 64 -18.078 -0.957 3.623 1.00 1.00 H new ATOM 0 HA ARG A 64 -18.474 0.452 1.211 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -19.868 -1.417 2.451 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -20.598 -0.082 3.321 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -22.064 -0.161 1.501 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -20.877 0.943 0.836 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -21.306 -0.812 -0.820 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -19.676 -1.019 -0.212 1.00 1.00 H new ATOM 0 HE ARG A 64 -21.625 -2.562 1.332 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -19.664 -2.380 -1.567 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -19.582 -4.131 -1.781 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -21.516 -4.815 1.050 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -20.623 -5.499 -0.312 1.00 1.00 H new ATOM 1008 N MET A 65 -18.045 2.473 3.382 1.00 1.00 N ATOM 1009 CA MET A 65 -18.159 3.845 3.858 1.00 1.00 C ATOM 1010 C MET A 65 -16.772 4.427 4.126 1.00 1.00 C ATOM 1011 O MET A 65 -16.489 4.912 5.221 1.00 1.00 O ATOM 1012 CB MET A 65 -18.998 3.869 5.142 1.00 1.00 C ATOM 1013 CG MET A 65 -18.674 2.630 5.971 1.00 1.00 C ATOM 1014 SD MET A 65 -19.490 2.743 7.584 1.00 1.00 S ATOM 1015 CE MET A 65 -18.890 1.177 8.270 1.00 1.00 C ATOM 0 H MET A 65 -17.167 2.011 3.621 1.00 1.00 H new ATOM 0 HA MET A 65 -18.647 4.452 3.095 1.00 1.00 H new ATOM 0 HB2 MET A 65 -18.784 4.771 5.715 1.00 1.00 H new ATOM 0 HB3 MET A 65 -20.060 3.891 4.897 1.00 1.00 H new ATOM 0 HG2 MET A 65 -19.005 1.733 5.447 1.00 1.00 H new ATOM 0 HG3 MET A 65 -17.596 2.541 6.104 1.00 1.00 H new ATOM 0 HE1 MET A 65 -18.853 1.246 9.357 1.00 1.00 H new ATOM 0 HE2 MET A 65 -19.564 0.371 7.980 1.00 1.00 H new ATOM 0 HE3 MET A 65 -17.891 0.970 7.886 1.00 1.00 H new ATOM 1025 N ALA A 66 -15.920 4.404 3.105 1.00 1.00 N ATOM 1026 CA ALA A 66 -14.562 4.959 3.224 1.00 1.00 C ATOM 1027 C ALA A 66 -14.472 6.350 2.576 1.00 1.00 C ATOM 1028 O ALA A 66 -13.469 7.049 2.722 1.00 1.00 O ATOM 1029 CB ALA A 66 -13.558 4.014 2.574 1.00 1.00 C ATOM 0 H ALA A 66 -16.137 4.011 2.189 1.00 1.00 H new ATOM 0 HA ALA A 66 -14.328 5.064 4.283 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -12.555 4.430 2.665 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -13.595 3.045 3.072 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -13.805 3.890 1.520 1.00 1.00 H new ATOM 1035 N ILE A 67 -15.521 6.730 1.859 1.00 1.00 N ATOM 1036 CA ILE A 67 -15.576 8.026 1.169 1.00 1.00 C ATOM 1037 C ILE A 67 -15.523 9.202 2.160 1.00 1.00 C ATOM 1038 O ILE A 67 -15.161 10.324 1.805 1.00 1.00 O ATOM 1039 CB ILE A 67 -16.892 8.092 0.384 1.00 1.00 C ATOM 1040 CG1 ILE A 67 -18.061 7.788 1.337 1.00 1.00 C ATOM 1041 CG2 ILE A 67 -16.878 7.060 -0.748 1.00 1.00 C ATOM 1042 CD1 ILE A 67 -19.390 7.879 0.585 1.00 1.00 C ATOM 0 H ILE A 67 -16.356 6.158 1.735 1.00 1.00 H new ATOM 0 HA ILE A 67 -14.713 8.108 0.508 1.00 1.00 H new ATOM 0 HB ILE A 67 -17.009 9.088 -0.043 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -17.943 6.792 1.763 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -18.056 8.493 2.168 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -17.816 7.113 -1.301 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -16.047 7.270 -1.422 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -16.761 6.061 -0.328 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -20.211 7.662 1.269 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -19.511 8.884 0.180 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -19.397 7.156 -0.231 1.00 1.00 H new ATOM 1054 N THR A 68 -15.936 8.924 3.381 1.00 1.00 N ATOM 1055 CA THR A 68 -16.002 9.941 4.433 1.00 1.00 C ATOM 1056 C THR A 68 -14.711 10.770 4.560 1.00 1.00 C ATOM 1057 O THR A 68 -14.716 11.972 4.294 1.00 1.00 O ATOM 1058 CB THR A 68 -16.342 9.276 5.764 1.00 1.00 C ATOM 1059 OG1 THR A 68 -17.445 8.396 5.570 1.00 1.00 O ATOM 1060 CG2 THR A 68 -16.720 10.348 6.785 1.00 1.00 C ATOM 0 H THR A 68 -16.235 7.996 3.679 1.00 1.00 H new ATOM 0 HA THR A 68 -16.787 10.643 4.152 1.00 1.00 H new ATOM 0 HB THR A 68 -15.481 8.716 6.130 1.00 1.00 H new ATOM 0 HG1 THR A 68 -17.671 7.962 6.419 1.00 1.00 H new ATOM 0 HG21 THR A 68 -16.963 9.875 7.736 1.00 1.00 H new ATOM 0 HG22 THR A 68 -15.882 11.031 6.923 1.00 1.00 H new ATOM 0 HG23 THR A 68 -17.585 10.904 6.425 1.00 1.00 H new ATOM 1068 N GLY A 69 -13.626 10.142 5.004 1.00 1.00 N ATOM 1069 CA GLY A 69 -12.356 10.849 5.195 1.00 1.00 C ATOM 1070 C GLY A 69 -11.634 10.295 6.412 1.00 1.00 C ATOM 1071 O GLY A 69 -10.417 10.425 6.541 1.00 1.00 O ATOM 0 H GLY A 69 -13.597 9.150 5.238 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -11.731 10.738 4.309 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -12.539 11.916 5.324 1.00 1.00 H new ATOM 1075 N ASP A 70 -12.406 9.680 7.314 1.00 1.00 N ATOM 1076 CA ASP A 70 -11.846 9.106 8.544 1.00 1.00 C ATOM 1077 C ASP A 70 -11.833 7.562 8.516 1.00 1.00 C ATOM 1078 O ASP A 70 -10.779 6.945 8.680 1.00 1.00 O ATOM 1079 CB ASP A 70 -12.651 9.601 9.749 1.00 1.00 C ATOM 1080 CG ASP A 70 -11.970 9.144 11.029 1.00 1.00 C ATOM 1081 OD1 ASP A 70 -10.844 9.559 11.253 1.00 1.00 O ATOM 1082 OD2 ASP A 70 -12.574 8.380 11.761 1.00 1.00 O ATOM 0 H ASP A 70 -13.415 9.567 7.217 1.00 1.00 H new ATOM 0 HA ASP A 70 -10.810 9.435 8.623 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -12.724 10.688 9.730 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -13.668 9.212 9.706 1.00 1.00 H new ATOM 1087 N ASP A 71 -13.020 6.964 8.357 1.00 1.00 N ATOM 1088 CA ASP A 71 -13.190 5.507 8.343 1.00 1.00 C ATOM 1089 C ASP A 71 -11.978 4.823 7.693 1.00 1.00 C ATOM 1090 O ASP A 71 -11.649 3.675 8.012 1.00 1.00 O ATOM 1091 CB ASP A 71 -14.514 5.165 7.608 1.00 1.00 C ATOM 1092 CG ASP A 71 -14.749 3.638 7.628 1.00 1.00 C ATOM 1093 OD1 ASP A 71 -13.939 2.916 8.192 1.00 1.00 O ATOM 1094 OD2 ASP A 71 -15.712 3.216 7.064 1.00 1.00 O ATOM 0 H ASP A 71 -13.892 7.479 8.234 1.00 1.00 H new ATOM 0 HA ASP A 71 -13.250 5.130 9.364 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -15.349 5.676 8.088 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -14.471 5.521 6.579 1.00 1.00 H new ATOM 1099 N VAL A 72 -11.289 5.552 6.819 1.00 1.00 N ATOM 1100 CA VAL A 72 -10.099 5.020 6.168 1.00 1.00 C ATOM 1101 C VAL A 72 -8.853 5.686 6.728 1.00 1.00 C ATOM 1102 O VAL A 72 -8.575 6.849 6.448 1.00 1.00 O ATOM 1103 CB VAL A 72 -10.193 5.294 4.660 1.00 1.00 C ATOM 1104 CG1 VAL A 72 -10.203 6.814 4.384 1.00 1.00 C ATOM 1105 CG2 VAL A 72 -9.002 4.649 3.939 1.00 1.00 C ATOM 0 H VAL A 72 -11.533 6.505 6.548 1.00 1.00 H new ATOM 0 HA VAL A 72 -10.036 3.947 6.350 1.00 1.00 H new ATOM 0 HB VAL A 72 -11.122 4.863 4.287 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -10.270 6.988 3.310 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -11.061 7.268 4.880 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -9.285 7.259 4.767 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -9.074 4.847 2.869 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -8.073 5.069 4.324 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -9.012 3.573 4.111 1.00 1.00 H new ATOM 1115 N SER A 73 -8.120 4.944 7.554 1.00 1.00 N ATOM 1116 CA SER A 73 -6.906 5.448 8.191 1.00 1.00 C ATOM 1117 C SER A 73 -5.983 4.256 8.465 1.00 1.00 C ATOM 1118 O SER A 73 -6.364 3.112 8.217 1.00 1.00 O ATOM 1119 CB SER A 73 -7.253 6.160 9.504 1.00 1.00 C ATOM 1120 OG SER A 73 -6.111 6.865 9.981 1.00 1.00 O ATOM 0 H SER A 73 -8.349 3.981 7.800 1.00 1.00 H new ATOM 0 HA SER A 73 -6.410 6.166 7.538 1.00 1.00 H new ATOM 0 HB2 SER A 73 -8.081 6.852 9.347 1.00 1.00 H new ATOM 0 HB3 SER A 73 -7.581 5.434 10.248 1.00 1.00 H new ATOM 0 HG SER A 73 -6.125 7.782 9.636 1.00 1.00 H new ATOM 1126 N LEU A 74 -4.760 4.516 8.905 1.00 1.00 N ATOM 1127 CA LEU A 74 -3.782 3.442 9.116 1.00 1.00 C ATOM 1128 C LEU A 74 -4.382 2.192 9.765 1.00 1.00 C ATOM 1129 O LEU A 74 -5.005 2.243 10.826 1.00 1.00 O ATOM 1130 CB LEU A 74 -2.623 3.970 9.990 1.00 1.00 C ATOM 1131 CG LEU A 74 -1.430 4.368 9.111 1.00 1.00 C ATOM 1132 CD1 LEU A 74 -1.898 5.291 7.967 1.00 1.00 C ATOM 1133 CD2 LEU A 74 -0.361 5.063 9.975 1.00 1.00 C ATOM 0 H LEU A 74 -4.417 5.451 9.123 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.424 3.143 8.131 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -2.959 4.830 10.570 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -2.318 3.204 10.703 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.992 3.474 8.667 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -1.043 5.567 7.350 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.634 4.768 7.356 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.348 6.191 8.386 1.00 1.00 H new ATOM 0 HD21 LEU A 74 0.486 5.345 9.349 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -0.787 5.956 10.433 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.024 4.381 10.755 1.00 1.00 H new ATOM 1145 N ASP A 75 -4.149 1.061 9.084 1.00 1.00 N ATOM 1146 CA ASP A 75 -4.619 -0.245 9.537 1.00 1.00 C ATOM 1147 C ASP A 75 -3.433 -1.140 9.901 1.00 1.00 C ATOM 1148 O ASP A 75 -3.543 -1.980 10.793 1.00 1.00 O ATOM 1149 CB ASP A 75 -5.423 -0.926 8.429 1.00 1.00 C ATOM 1150 CG ASP A 75 -5.995 -2.247 8.937 1.00 1.00 C ATOM 1151 OD1 ASP A 75 -5.689 -2.610 10.061 1.00 1.00 O ATOM 1152 OD2 ASP A 75 -6.735 -2.873 8.196 1.00 1.00 O ATOM 0 H ASP A 75 -3.630 1.031 8.206 1.00 1.00 H new ATOM 0 HA ASP A 75 -5.248 -0.095 10.414 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -6.231 -0.273 8.100 1.00 1.00 H new ATOM 0 HB3 ASP A 75 -4.786 -1.105 7.563 1.00 1.00 H new ATOM 1157 N GLN A 76 -2.286 -0.939 9.233 1.00 1.00 N ATOM 1158 CA GLN A 76 -1.086 -1.732 9.523 1.00 1.00 C ATOM 1159 C GLN A 76 0.106 -1.264 8.673 1.00 1.00 C ATOM 1160 O GLN A 76 0.178 -1.541 7.478 1.00 1.00 O ATOM 1161 CB GLN A 76 -1.334 -3.229 9.246 1.00 1.00 C ATOM 1162 CG GLN A 76 -0.309 -4.087 10.031 1.00 1.00 C ATOM 1163 CD GLN A 76 0.159 -5.273 9.197 1.00 1.00 C ATOM 1164 OE1 GLN A 76 -0.614 -6.190 8.923 1.00 1.00 O ATOM 1165 NE2 GLN A 76 1.391 -5.300 8.777 1.00 1.00 N ATOM 0 H GLN A 76 -2.167 -0.242 8.498 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.856 -1.589 10.579 1.00 1.00 H new ATOM 0 HB2 GLN A 76 -2.348 -3.499 9.540 1.00 1.00 H new ATOM 0 HB3 GLN A 76 -1.247 -3.430 8.178 1.00 1.00 H new ATOM 0 HG2 GLN A 76 0.547 -3.473 10.310 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.761 -4.444 10.957 1.00 1.00 H new ATOM 0 HE21 GLN A 76 2.026 -4.536 9.008 1.00 1.00 H new ATOM 0 HE22 GLN A 76 1.722 -6.085 8.216 1.00 1.00 H new ATOM 1174 N ILE A 77 1.020 -0.537 9.301 1.00 1.00 N ATOM 1175 CA ILE A 77 2.190 -0.008 8.607 1.00 1.00 C ATOM 1176 C ILE A 77 3.204 -1.126 8.408 1.00 1.00 C ATOM 1177 O ILE A 77 3.498 -1.881 9.330 1.00 1.00 O ATOM 1178 CB ILE A 77 2.828 1.099 9.468 1.00 1.00 C ATOM 1179 CG1 ILE A 77 1.771 2.161 9.807 1.00 1.00 C ATOM 1180 CG2 ILE A 77 4.005 1.777 8.721 1.00 1.00 C ATOM 1181 CD1 ILE A 77 2.363 3.220 10.760 1.00 1.00 C ATOM 0 H ILE A 77 0.975 -0.299 10.292 1.00 1.00 H new ATOM 0 HA ILE A 77 1.892 0.397 7.640 1.00 1.00 H new ATOM 0 HB ILE A 77 3.210 0.642 10.381 1.00 1.00 H new ATOM 0 HG12 ILE A 77 1.421 2.640 8.893 1.00 1.00 H new ATOM 0 HG13 ILE A 77 0.906 1.688 10.271 1.00 1.00 H new ATOM 0 HG21 ILE A 77 4.437 2.554 9.352 1.00 1.00 H new ATOM 0 HG22 ILE A 77 4.767 1.032 8.490 1.00 1.00 H new ATOM 0 HG23 ILE A 77 3.640 2.222 7.795 1.00 1.00 H new ATOM 0 HD11 ILE A 77 1.603 3.966 10.992 1.00 1.00 H new ATOM 0 HD12 ILE A 77 2.691 2.738 11.681 1.00 1.00 H new ATOM 0 HD13 ILE A 77 3.214 3.705 10.281 1.00 1.00 H new ATOM 1193 N VAL A 78 3.732 -1.207 7.193 1.00 1.00 N ATOM 1194 CA VAL A 78 4.729 -2.219 6.841 1.00 1.00 C ATOM 1195 C VAL A 78 5.858 -1.554 6.047 1.00 1.00 C ATOM 1196 O VAL A 78 5.745 -1.393 4.830 1.00 1.00 O ATOM 1197 CB VAL A 78 4.082 -3.318 5.994 1.00 1.00 C ATOM 1198 CG1 VAL A 78 5.162 -4.287 5.510 1.00 1.00 C ATOM 1199 CG2 VAL A 78 3.070 -4.079 6.854 1.00 1.00 C ATOM 0 H VAL A 78 3.486 -0.580 6.427 1.00 1.00 H new ATOM 0 HA VAL A 78 5.131 -2.665 7.751 1.00 1.00 H new ATOM 0 HB VAL A 78 3.579 -2.874 5.135 1.00 1.00 H new ATOM 0 HG11 VAL A 78 4.704 -5.071 4.907 1.00 1.00 H new ATOM 0 HG12 VAL A 78 5.893 -3.746 4.909 1.00 1.00 H new ATOM 0 HG13 VAL A 78 5.660 -4.735 6.370 1.00 1.00 H new ATOM 0 HG21 VAL A 78 2.604 -4.864 6.259 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.581 -4.525 7.707 1.00 1.00 H new ATOM 0 HG23 VAL A 78 2.304 -3.390 7.209 1.00 1.00 H new ATOM 1209 N PRO A 79 6.925 -1.130 6.693 1.00 1.00 N ATOM 1210 CA PRO A 79 8.048 -0.432 6.002 1.00 1.00 C ATOM 1211 C PRO A 79 8.919 -1.362 5.178 1.00 1.00 C ATOM 1212 O PRO A 79 9.034 -2.554 5.466 1.00 1.00 O ATOM 1213 CB PRO A 79 8.829 0.208 7.154 1.00 1.00 C ATOM 1214 CG PRO A 79 8.610 -0.710 8.309 1.00 1.00 C ATOM 1215 CD PRO A 79 7.196 -1.276 8.142 1.00 1.00 C ATOM 0 HA PRO A 79 7.687 0.290 5.270 1.00 1.00 H new ATOM 0 HB2 PRO A 79 9.888 0.298 6.914 1.00 1.00 H new ATOM 0 HB3 PRO A 79 8.465 1.212 7.371 1.00 1.00 H new ATOM 0 HG2 PRO A 79 9.351 -1.509 8.317 1.00 1.00 H new ATOM 0 HG3 PRO A 79 8.707 -0.176 9.254 1.00 1.00 H new ATOM 0 HD2 PRO A 79 7.143 -2.319 8.456 1.00 1.00 H new ATOM 0 HD3 PRO A 79 6.471 -0.725 8.742 1.00 1.00 H new ATOM 1223 N LEU A 80 9.510 -0.801 4.131 1.00 1.00 N ATOM 1224 CA LEU A 80 10.352 -1.567 3.239 1.00 1.00 C ATOM 1225 C LEU A 80 11.690 -1.892 3.891 1.00 1.00 C ATOM 1226 O LEU A 80 12.364 -1.030 4.454 1.00 1.00 O ATOM 1227 CB LEU A 80 10.584 -0.770 1.944 1.00 1.00 C ATOM 1228 CG LEU A 80 9.361 -0.901 1.032 1.00 1.00 C ATOM 1229 CD1 LEU A 80 8.116 -0.399 1.769 1.00 1.00 C ATOM 1230 CD2 LEU A 80 9.578 -0.071 -0.230 1.00 1.00 C ATOM 0 H LEU A 80 9.418 0.184 3.883 1.00 1.00 H new ATOM 0 HA LEU A 80 9.849 -2.507 3.011 1.00 1.00 H new ATOM 0 HB2 LEU A 80 10.764 0.279 2.178 1.00 1.00 H new ATOM 0 HB3 LEU A 80 11.473 -1.139 1.432 1.00 1.00 H new ATOM 0 HG LEU A 80 9.221 -1.947 0.759 1.00 1.00 H new ATOM 0 HD11 LEU A 80 7.246 -0.493 1.119 1.00 1.00 H new ATOM 0 HD12 LEU A 80 7.962 -0.993 2.670 1.00 1.00 H new ATOM 0 HD13 LEU A 80 8.253 0.647 2.044 1.00 1.00 H new ATOM 0 HD21 LEU A 80 8.708 -0.163 -0.880 1.00 1.00 H new ATOM 0 HD22 LEU A 80 9.718 0.975 0.042 1.00 1.00 H new ATOM 0 HD23 LEU A 80 10.463 -0.431 -0.755 1.00 1.00 H new ATOM 1242 N SER A 81 12.048 -3.159 3.795 1.00 1.00 N ATOM 1243 CA SER A 81 13.300 -3.667 4.352 1.00 1.00 C ATOM 1244 C SER A 81 13.971 -4.593 3.344 1.00 1.00 C ATOM 1245 O SER A 81 13.368 -4.977 2.347 1.00 1.00 O ATOM 1246 CB SER A 81 13.030 -4.431 5.649 1.00 1.00 C ATOM 1247 OG SER A 81 12.060 -5.439 5.406 1.00 1.00 O ATOM 0 H SER A 81 11.483 -3.869 3.330 1.00 1.00 H new ATOM 0 HA SER A 81 13.958 -2.825 4.567 1.00 1.00 H new ATOM 0 HB2 SER A 81 13.952 -4.879 6.019 1.00 1.00 H new ATOM 0 HB3 SER A 81 12.676 -3.747 6.420 1.00 1.00 H new ATOM 0 HG SER A 81 12.175 -5.792 4.499 1.00 1.00 H new ATOM 1253 N LYS A 82 15.228 -4.924 3.591 1.00 1.00 N ATOM 1254 CA LYS A 82 15.968 -5.780 2.673 1.00 1.00 C ATOM 1255 C LYS A 82 15.157 -7.019 2.316 1.00 1.00 C ATOM 1256 O LYS A 82 15.154 -7.453 1.164 1.00 1.00 O ATOM 1257 CB LYS A 82 17.288 -6.197 3.312 1.00 1.00 C ATOM 1258 CG LYS A 82 18.187 -4.966 3.450 1.00 1.00 C ATOM 1259 CD LYS A 82 19.461 -5.335 4.221 1.00 1.00 C ATOM 1260 CE LYS A 82 20.438 -6.079 3.306 1.00 1.00 C ATOM 1261 NZ LYS A 82 21.749 -6.227 4.001 1.00 1.00 N ATOM 0 H LYS A 82 15.754 -4.618 4.409 1.00 1.00 H new ATOM 0 HA LYS A 82 16.164 -5.220 1.759 1.00 1.00 H new ATOM 0 HB2 LYS A 82 17.108 -6.643 4.290 1.00 1.00 H new ATOM 0 HB3 LYS A 82 17.779 -6.955 2.701 1.00 1.00 H new ATOM 0 HG2 LYS A 82 18.447 -4.582 2.464 1.00 1.00 H new ATOM 0 HG3 LYS A 82 17.653 -4.171 3.971 1.00 1.00 H new ATOM 0 HD2 LYS A 82 19.932 -4.433 4.611 1.00 1.00 H new ATOM 0 HD3 LYS A 82 19.208 -5.959 5.078 1.00 1.00 H new ATOM 0 HE2 LYS A 82 20.038 -7.059 3.048 1.00 1.00 H new ATOM 0 HE3 LYS A 82 20.568 -5.532 2.372 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 22.415 -6.732 3.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 22.131 -5.286 4.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 21.617 -6.766 4.880 1.00 1.00 H new ATOM 1275 N ASP A 83 14.468 -7.588 3.298 1.00 1.00 N ATOM 1276 CA ASP A 83 13.658 -8.777 3.057 1.00 1.00 C ATOM 1277 C ASP A 83 12.508 -8.458 2.103 1.00 1.00 C ATOM 1278 O ASP A 83 11.915 -9.358 1.508 1.00 1.00 O ATOM 1279 CB ASP A 83 13.112 -9.304 4.384 1.00 1.00 C ATOM 1280 CG ASP A 83 12.527 -8.153 5.192 1.00 1.00 C ATOM 1281 OD1 ASP A 83 11.485 -7.653 4.801 1.00 1.00 O ATOM 1282 OD2 ASP A 83 13.126 -7.792 6.190 1.00 1.00 O ATOM 0 H ASP A 83 14.453 -7.250 4.260 1.00 1.00 H new ATOM 0 HA ASP A 83 14.283 -9.542 2.596 1.00 1.00 H new ATOM 0 HB2 ASP A 83 12.346 -10.058 4.200 1.00 1.00 H new ATOM 0 HB3 ASP A 83 13.908 -9.790 4.949 1.00 1.00 H new ATOM 1287 N PHE A 84 12.209 -7.168 1.947 1.00 1.00 N ATOM 1288 CA PHE A 84 11.139 -6.740 1.046 1.00 1.00 C ATOM 1289 C PHE A 84 11.400 -7.284 -0.354 1.00 1.00 C ATOM 1290 O PHE A 84 12.501 -7.151 -0.888 1.00 1.00 O ATOM 1291 CB PHE A 84 11.085 -5.207 1.004 1.00 1.00 C ATOM 1292 CG PHE A 84 9.844 -4.713 0.286 1.00 1.00 C ATOM 1293 CD1 PHE A 84 8.622 -4.633 0.969 1.00 1.00 C ATOM 1294 CD2 PHE A 84 9.924 -4.301 -1.051 1.00 1.00 C ATOM 1295 CE1 PHE A 84 7.484 -4.143 0.315 1.00 1.00 C ATOM 1296 CE2 PHE A 84 8.784 -3.816 -1.706 1.00 1.00 C ATOM 1297 CZ PHE A 84 7.565 -3.738 -1.024 1.00 1.00 C ATOM 0 H PHE A 84 12.688 -6.407 2.428 1.00 1.00 H new ATOM 0 HA PHE A 84 10.186 -7.124 1.408 1.00 1.00 H new ATOM 0 HB2 PHE A 84 11.099 -4.814 2.020 1.00 1.00 H new ATOM 0 HB3 PHE A 84 11.974 -4.824 0.502 1.00 1.00 H new ATOM 0 HD1 PHE A 84 8.558 -4.949 2.000 1.00 1.00 H new ATOM 0 HD2 PHE A 84 10.865 -4.357 -1.577 1.00 1.00 H new ATOM 0 HE1 PHE A 84 6.544 -4.077 0.843 1.00 1.00 H new ATOM 0 HE2 PHE A 84 8.847 -3.502 -2.738 1.00 1.00 H new ATOM 0 HZ PHE A 84 6.686 -3.366 -1.530 1.00 1.00 H new ATOM 1307 N MET A 85 10.378 -7.888 -0.940 1.00 1.00 N ATOM 1308 CA MET A 85 10.490 -8.441 -2.285 1.00 1.00 C ATOM 1309 C MET A 85 9.101 -8.736 -2.836 1.00 1.00 C ATOM 1310 O MET A 85 8.244 -9.266 -2.129 1.00 1.00 O ATOM 1311 CB MET A 85 11.325 -9.732 -2.280 1.00 1.00 C ATOM 1312 CG MET A 85 11.496 -10.241 -3.720 1.00 1.00 C ATOM 1313 SD MET A 85 12.562 -11.708 -3.730 1.00 1.00 S ATOM 1314 CE MET A 85 12.469 -12.057 -5.506 1.00 1.00 C ATOM 0 H MET A 85 9.462 -8.009 -0.508 1.00 1.00 H new ATOM 0 HA MET A 85 10.990 -7.707 -2.917 1.00 1.00 H new ATOM 0 HB2 MET A 85 12.301 -9.544 -1.832 1.00 1.00 H new ATOM 0 HB3 MET A 85 10.835 -10.492 -1.671 1.00 1.00 H new ATOM 0 HG2 MET A 85 10.523 -10.484 -4.148 1.00 1.00 H new ATOM 0 HG3 MET A 85 11.931 -9.459 -4.343 1.00 1.00 H new ATOM 0 HE1 MET A 85 13.067 -12.939 -5.735 1.00 1.00 H new ATOM 0 HE2 MET A 85 11.432 -12.238 -5.787 1.00 1.00 H new ATOM 0 HE3 MET A 85 12.853 -11.204 -6.065 1.00 1.00 H new ATOM 1324 N LEU A 86 8.884 -8.398 -4.103 1.00 1.00 N ATOM 1325 CA LEU A 86 7.593 -8.639 -4.744 1.00 1.00 C ATOM 1326 C LEU A 86 7.678 -9.916 -5.568 1.00 1.00 C ATOM 1327 O LEU A 86 8.497 -10.013 -6.482 1.00 1.00 O ATOM 1328 CB LEU A 86 7.228 -7.446 -5.653 1.00 1.00 C ATOM 1329 CG LEU A 86 8.515 -6.811 -6.237 1.00 1.00 C ATOM 1330 CD1 LEU A 86 8.216 -6.185 -7.604 1.00 1.00 C ATOM 1331 CD2 LEU A 86 9.051 -5.721 -5.286 1.00 1.00 C ATOM 0 H LEU A 86 9.580 -7.959 -4.705 1.00 1.00 H new ATOM 0 HA LEU A 86 6.820 -8.748 -3.983 1.00 1.00 H new ATOM 0 HB2 LEU A 86 6.578 -7.780 -6.462 1.00 1.00 H new ATOM 0 HB3 LEU A 86 6.671 -6.702 -5.084 1.00 1.00 H new ATOM 0 HG LEU A 86 9.267 -7.592 -6.350 1.00 1.00 H new ATOM 0 HD11 LEU A 86 9.126 -5.741 -8.008 1.00 1.00 H new ATOM 0 HD12 LEU A 86 7.855 -6.955 -8.286 1.00 1.00 H new ATOM 0 HD13 LEU A 86 7.454 -5.413 -7.492 1.00 1.00 H new ATOM 0 HD21 LEU A 86 9.955 -5.283 -5.708 1.00 1.00 H new ATOM 0 HD22 LEU A 86 8.296 -4.945 -5.160 1.00 1.00 H new ATOM 0 HD23 LEU A 86 9.281 -6.164 -4.317 1.00 1.00 H new ATOM 1343 N GLU A 87 6.844 -10.903 -5.240 1.00 1.00 N ATOM 1344 CA GLU A 87 6.856 -12.176 -5.962 1.00 1.00 C ATOM 1345 C GLU A 87 5.618 -12.323 -6.835 1.00 1.00 C ATOM 1346 O GLU A 87 4.492 -12.342 -6.341 1.00 1.00 O ATOM 1347 CB GLU A 87 6.897 -13.336 -4.965 1.00 1.00 C ATOM 1348 CG GLU A 87 8.242 -13.342 -4.238 1.00 1.00 C ATOM 1349 CD GLU A 87 8.257 -14.442 -3.180 1.00 1.00 C ATOM 1350 OE1 GLU A 87 7.241 -15.098 -3.024 1.00 1.00 O ATOM 1351 OE2 GLU A 87 9.283 -14.609 -2.542 1.00 1.00 O ATOM 0 H GLU A 87 6.158 -10.848 -4.487 1.00 1.00 H new ATOM 0 HA GLU A 87 7.741 -12.193 -6.598 1.00 1.00 H new ATOM 0 HB2 GLU A 87 6.084 -13.239 -4.245 1.00 1.00 H new ATOM 0 HB3 GLU A 87 6.750 -14.282 -5.486 1.00 1.00 H new ATOM 0 HG2 GLU A 87 9.050 -13.501 -4.952 1.00 1.00 H new ATOM 0 HG3 GLU A 87 8.416 -12.373 -3.770 1.00 1.00 H new ATOM 1358 N GLU A 88 5.841 -12.441 -8.136 1.00 1.00 N ATOM 1359 CA GLU A 88 4.742 -12.607 -9.071 1.00 1.00 C ATOM 1360 C GLU A 88 4.065 -13.949 -8.812 1.00 1.00 C ATOM 1361 O GLU A 88 4.731 -14.928 -8.469 1.00 1.00 O ATOM 1362 CB GLU A 88 5.268 -12.560 -10.513 1.00 1.00 C ATOM 1363 CG GLU A 88 5.850 -11.169 -10.811 1.00 1.00 C ATOM 1364 CD GLU A 88 7.270 -11.056 -10.260 1.00 1.00 C ATOM 1365 OE1 GLU A 88 7.709 -11.991 -9.612 1.00 1.00 O ATOM 1366 OE2 GLU A 88 7.901 -10.040 -10.509 1.00 1.00 O ATOM 0 H GLU A 88 6.767 -12.425 -8.564 1.00 1.00 H new ATOM 0 HA GLU A 88 4.022 -11.800 -8.933 1.00 1.00 H new ATOM 0 HB2 GLU A 88 6.034 -13.323 -10.655 1.00 1.00 H new ATOM 0 HB3 GLU A 88 4.462 -12.784 -11.211 1.00 1.00 H new ATOM 0 HG2 GLU A 88 5.856 -10.993 -11.887 1.00 1.00 H new ATOM 0 HG3 GLU A 88 5.218 -10.401 -10.366 1.00 1.00 H new ATOM 1373 N VAL A 89 2.744 -14.001 -8.970 1.00 1.00 N ATOM 1374 CA VAL A 89 2.014 -15.249 -8.743 1.00 1.00 C ATOM 1375 C VAL A 89 2.124 -16.158 -9.965 1.00 1.00 C ATOM 1376 O VAL A 89 2.200 -15.688 -11.098 1.00 1.00 O ATOM 1377 CB VAL A 89 0.540 -14.970 -8.463 1.00 1.00 C ATOM 1378 CG1 VAL A 89 -0.209 -16.295 -8.283 1.00 1.00 C ATOM 1379 CG2 VAL A 89 0.402 -14.122 -7.193 1.00 1.00 C ATOM 0 H VAL A 89 2.164 -13.209 -9.249 1.00 1.00 H new ATOM 0 HA VAL A 89 2.457 -15.742 -7.878 1.00 1.00 H new ATOM 0 HB VAL A 89 0.113 -14.424 -9.304 1.00 1.00 H new ATOM 0 HG11 VAL A 89 -1.261 -16.094 -8.083 1.00 1.00 H new ATOM 0 HG12 VAL A 89 -0.120 -16.890 -9.192 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.221 -16.845 -7.446 1.00 1.00 H new ATOM 0 HG21 VAL A 89 -0.653 -13.926 -6.999 1.00 1.00 H new ATOM 0 HG22 VAL A 89 0.833 -14.659 -6.348 1.00 1.00 H new ATOM 0 HG23 VAL A 89 0.927 -13.177 -7.328 1.00 1.00 H new ATOM 1389 N SER A 90 2.138 -17.458 -9.716 1.00 1.00 N ATOM 1390 CA SER A 90 2.246 -18.440 -10.793 1.00 1.00 C ATOM 1391 C SER A 90 1.335 -18.053 -11.967 1.00 1.00 C ATOM 1392 O SER A 90 0.289 -17.438 -11.758 1.00 1.00 O ATOM 1393 CB SER A 90 1.843 -19.819 -10.270 1.00 1.00 C ATOM 1394 OG SER A 90 2.798 -20.261 -9.313 1.00 1.00 O ATOM 0 H SER A 90 2.076 -17.861 -8.781 1.00 1.00 H new ATOM 0 HA SER A 90 3.278 -18.464 -11.142 1.00 1.00 H new ATOM 0 HB2 SER A 90 0.853 -19.773 -9.817 1.00 1.00 H new ATOM 0 HB3 SER A 90 1.783 -20.529 -11.095 1.00 1.00 H new ATOM 0 HG SER A 90 2.539 -21.144 -8.976 1.00 1.00 H new ATOM 1533 N SER A 100 -8.275 -7.124 -16.522 1.00 1.00 N ATOM 1534 CA SER A 100 -8.896 -6.078 -15.708 1.00 1.00 C ATOM 1535 C SER A 100 -8.636 -6.368 -14.227 1.00 1.00 C ATOM 1536 O SER A 100 -9.510 -6.200 -13.376 1.00 1.00 O ATOM 1537 CB SER A 100 -10.395 -6.019 -15.992 1.00 1.00 C ATOM 1538 OG SER A 100 -10.982 -7.281 -15.710 1.00 1.00 O ATOM 0 HA SER A 100 -8.462 -5.110 -15.960 1.00 1.00 H new ATOM 0 HB2 SER A 100 -10.861 -5.245 -15.382 1.00 1.00 H new ATOM 0 HB3 SER A 100 -10.568 -5.751 -17.034 1.00 1.00 H new ATOM 0 HG SER A 100 -10.362 -7.995 -15.967 1.00 1.00 H new ATOM 1544 N ASP A 101 -7.406 -6.799 -13.949 1.00 1.00 N ATOM 1545 CA ASP A 101 -6.972 -7.116 -12.591 1.00 1.00 C ATOM 1546 C ASP A 101 -5.458 -7.317 -12.570 1.00 1.00 C ATOM 1547 O ASP A 101 -4.864 -7.660 -13.589 1.00 1.00 O ATOM 1548 CB ASP A 101 -7.665 -8.385 -12.083 1.00 1.00 C ATOM 1549 CG ASP A 101 -7.305 -9.575 -12.968 1.00 1.00 C ATOM 1550 OD1 ASP A 101 -6.138 -9.726 -13.284 1.00 1.00 O ATOM 1551 OD2 ASP A 101 -8.204 -10.327 -13.307 1.00 1.00 O ATOM 0 H ASP A 101 -6.685 -6.938 -14.657 1.00 1.00 H new ATOM 0 HA ASP A 101 -7.242 -6.286 -11.938 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -7.365 -8.584 -11.054 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -8.745 -8.240 -12.078 1.00 1.00 H new ATOM 1556 N VAL A 102 -4.838 -7.110 -11.410 1.00 1.00 N ATOM 1557 CA VAL A 102 -3.385 -7.285 -11.265 1.00 1.00 C ATOM 1558 C VAL A 102 -3.089 -8.188 -10.081 1.00 1.00 C ATOM 1559 O VAL A 102 -3.642 -8.004 -9.006 1.00 1.00 O ATOM 1560 CB VAL A 102 -2.702 -5.926 -11.080 1.00 1.00 C ATOM 1561 CG1 VAL A 102 -1.243 -6.125 -10.640 1.00 1.00 C ATOM 1562 CG2 VAL A 102 -2.729 -5.166 -12.410 1.00 1.00 C ATOM 0 H VAL A 102 -5.314 -6.821 -10.555 1.00 1.00 H new ATOM 0 HA VAL A 102 -2.993 -7.749 -12.170 1.00 1.00 H new ATOM 0 HB VAL A 102 -3.232 -5.359 -10.314 1.00 1.00 H new ATOM 0 HG11 VAL A 102 -0.766 -5.153 -10.511 1.00 1.00 H new ATOM 0 HG12 VAL A 102 -1.219 -6.669 -9.696 1.00 1.00 H new ATOM 0 HG13 VAL A 102 -0.708 -6.694 -11.400 1.00 1.00 H new ATOM 0 HG21 VAL A 102 -2.244 -4.198 -12.286 1.00 1.00 H new ATOM 0 HG22 VAL A 102 -2.199 -5.742 -13.169 1.00 1.00 H new ATOM 0 HG23 VAL A 102 -3.762 -5.017 -12.723 1.00 1.00 H new ATOM 1572 N THR A 103 -2.206 -9.158 -10.290 1.00 1.00 N ATOM 1573 CA THR A 103 -1.842 -10.091 -9.223 1.00 1.00 C ATOM 1574 C THR A 103 -0.419 -9.836 -8.736 1.00 1.00 C ATOM 1575 O THR A 103 0.547 -9.970 -9.486 1.00 1.00 O ATOM 1576 CB THR A 103 -1.968 -11.536 -9.724 1.00 1.00 C ATOM 1577 OG1 THR A 103 -3.102 -11.642 -10.573 1.00 1.00 O ATOM 1578 CG2 THR A 103 -2.151 -12.479 -8.530 1.00 1.00 C ATOM 0 H THR A 103 -1.731 -9.321 -11.178 1.00 1.00 H new ATOM 0 HA THR A 103 -2.525 -9.936 -8.388 1.00 1.00 H new ATOM 0 HB THR A 103 -1.066 -11.808 -10.272 1.00 1.00 H new ATOM 0 HG1 THR A 103 -3.184 -12.564 -10.896 1.00 1.00 H new ATOM 0 HG21 THR A 103 -2.240 -13.505 -8.887 1.00 1.00 H new ATOM 0 HG22 THR A 103 -1.289 -12.399 -7.868 1.00 1.00 H new ATOM 0 HG23 THR A 103 -3.054 -12.205 -7.985 1.00 1.00 H new ATOM 1586 N VAL A 104 -0.311 -9.465 -7.465 1.00 1.00 N ATOM 1587 CA VAL A 104 0.978 -9.186 -6.844 1.00 1.00 C ATOM 1588 C VAL A 104 0.997 -9.772 -5.435 1.00 1.00 C ATOM 1589 O VAL A 104 -0.004 -9.718 -4.723 1.00 1.00 O ATOM 1590 CB VAL A 104 1.207 -7.668 -6.796 1.00 1.00 C ATOM 1591 CG1 VAL A 104 0.353 -7.037 -5.692 1.00 1.00 C ATOM 1592 CG2 VAL A 104 2.686 -7.381 -6.522 1.00 1.00 C ATOM 0 H VAL A 104 -1.109 -9.350 -6.840 1.00 1.00 H new ATOM 0 HA VAL A 104 1.777 -9.643 -7.428 1.00 1.00 H new ATOM 0 HB VAL A 104 0.921 -7.238 -7.756 1.00 1.00 H new ATOM 0 HG11 VAL A 104 0.525 -5.961 -5.669 1.00 1.00 H new ATOM 0 HG12 VAL A 104 -0.701 -7.232 -5.891 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.626 -7.469 -4.729 1.00 1.00 H new ATOM 0 HG21 VAL A 104 2.847 -6.304 -6.488 1.00 1.00 H new ATOM 0 HG22 VAL A 104 2.971 -7.821 -5.566 1.00 1.00 H new ATOM 0 HG23 VAL A 104 3.294 -7.814 -7.316 1.00 1.00 H new ATOM 1602 N GLN A 105 2.136 -10.334 -5.038 1.00 1.00 N ATOM 1603 CA GLN A 105 2.271 -10.933 -3.706 1.00 1.00 C ATOM 1604 C GLN A 105 3.397 -10.257 -2.936 1.00 1.00 C ATOM 1605 O GLN A 105 4.562 -10.369 -3.316 1.00 1.00 O ATOM 1606 CB GLN A 105 2.570 -12.435 -3.861 1.00 1.00 C ATOM 1607 CG GLN A 105 2.216 -13.185 -2.573 1.00 1.00 C ATOM 1608 CD GLN A 105 3.168 -12.782 -1.456 1.00 1.00 C ATOM 1609 OE1 GLN A 105 4.350 -13.109 -1.503 1.00 1.00 O ATOM 1610 NE2 GLN A 105 2.721 -12.079 -0.453 1.00 1.00 N ATOM 0 H GLN A 105 2.976 -10.389 -5.613 1.00 1.00 H new ATOM 0 HA GLN A 105 1.343 -10.797 -3.151 1.00 1.00 H new ATOM 0 HB2 GLN A 105 1.999 -12.842 -4.695 1.00 1.00 H new ATOM 0 HB3 GLN A 105 3.624 -12.580 -4.096 1.00 1.00 H new ATOM 0 HG2 GLN A 105 1.189 -12.963 -2.284 1.00 1.00 H new ATOM 0 HG3 GLN A 105 2.274 -14.260 -2.741 1.00 1.00 H new ATOM 0 HE21 GLN A 105 1.738 -11.809 -0.417 1.00 1.00 H new ATOM 0 HE22 GLN A 105 3.354 -11.799 0.296 1.00 1.00 H new ATOM 1619 N LEU A 106 3.053 -9.538 -1.864 1.00 1.00 N ATOM 1620 CA LEU A 106 4.052 -8.834 -1.070 1.00 1.00 C ATOM 1621 C LEU A 106 4.735 -9.783 -0.092 1.00 1.00 C ATOM 1622 O LEU A 106 4.078 -10.421 0.716 1.00 1.00 O ATOM 1623 CB LEU A 106 3.369 -7.723 -0.272 1.00 1.00 C ATOM 1624 CG LEU A 106 2.544 -6.840 -1.211 1.00 1.00 C ATOM 1625 CD1 LEU A 106 1.829 -5.762 -0.391 1.00 1.00 C ATOM 1626 CD2 LEU A 106 3.464 -6.179 -2.251 1.00 1.00 C ATOM 0 H LEU A 106 2.095 -9.431 -1.531 1.00 1.00 H new ATOM 0 HA LEU A 106 4.800 -8.420 -1.746 1.00 1.00 H new ATOM 0 HB2 LEU A 106 2.725 -8.156 0.493 1.00 1.00 H new ATOM 0 HB3 LEU A 106 4.117 -7.121 0.244 1.00 1.00 H new ATOM 0 HG LEU A 106 1.807 -7.452 -1.731 1.00 1.00 H new ATOM 0 HD11 LEU A 106 1.240 -5.130 -1.056 1.00 1.00 H new ATOM 0 HD12 LEU A 106 1.171 -6.236 0.337 1.00 1.00 H new ATOM 0 HD13 LEU A 106 2.567 -5.152 0.130 1.00 1.00 H new ATOM 0 HD21 LEU A 106 2.870 -5.552 -2.916 1.00 1.00 H new ATOM 0 HD22 LEU A 106 4.207 -5.566 -1.742 1.00 1.00 H new ATOM 0 HD23 LEU A 106 3.968 -6.950 -2.834 1.00 1.00 H new ATOM 1638 N ASN A 107 6.054 -9.882 -0.199 1.00 1.00 N ATOM 1639 CA ASN A 107 6.827 -10.782 0.671 1.00 1.00 C ATOM 1640 C ASN A 107 7.728 -10.027 1.637 1.00 1.00 C ATOM 1641 O ASN A 107 8.950 -10.148 1.572 1.00 1.00 O ATOM 1642 CB ASN A 107 7.684 -11.711 -0.175 1.00 1.00 C ATOM 1643 CG ASN A 107 6.837 -12.346 -1.264 1.00 1.00 C ATOM 1644 OD1 ASN A 107 6.661 -13.563 -1.284 1.00 1.00 O ATOM 1645 ND2 ASN A 107 6.290 -11.585 -2.168 1.00 1.00 N ATOM 0 H ASN A 107 6.614 -9.358 -0.871 1.00 1.00 H new ATOM 0 HA ASN A 107 6.106 -11.351 1.258 1.00 1.00 H new ATOM 0 HB2 ASN A 107 8.508 -11.154 -0.621 1.00 1.00 H new ATOM 0 HB3 ASN A 107 8.125 -12.485 0.453 1.00 1.00 H new ATOM 0 HD21 ASN A 107 5.711 -11.997 -2.899 1.00 1.00 H new ATOM 0 HD22 ASN A 107 6.441 -10.576 -2.145 1.00 1.00 H new ATOM 1652 N THR A 108 7.136 -9.256 2.543 1.00 1.00 N ATOM 1653 CA THR A 108 7.937 -8.515 3.506 1.00 1.00 C ATOM 1654 C THR A 108 8.480 -9.467 4.567 1.00 1.00 C ATOM 1655 O THR A 108 8.242 -10.675 4.521 1.00 1.00 O ATOM 1656 CB THR A 108 7.097 -7.410 4.169 1.00 1.00 C ATOM 1657 OG1 THR A 108 6.235 -6.833 3.198 1.00 1.00 O ATOM 1658 CG2 THR A 108 7.999 -6.313 4.763 1.00 1.00 C ATOM 0 H THR A 108 6.128 -9.130 2.630 1.00 1.00 H new ATOM 0 HA THR A 108 8.771 -8.048 2.982 1.00 1.00 H new ATOM 0 HB THR A 108 6.515 -7.854 4.977 1.00 1.00 H new ATOM 0 HG1 THR A 108 6.067 -5.895 3.426 1.00 1.00 H new ATOM 0 HG21 THR A 108 7.380 -5.544 5.226 1.00 1.00 H new ATOM 0 HG22 THR A 108 8.657 -6.750 5.514 1.00 1.00 H new ATOM 0 HG23 THR A 108 8.600 -5.867 3.970 1.00 1.00 H new ATOM 1666 N ALA A 109 9.233 -8.910 5.496 1.00 1.00 N ATOM 1667 CA ALA A 109 9.849 -9.697 6.558 1.00 1.00 C ATOM 1668 C ALA A 109 8.833 -10.624 7.228 1.00 1.00 C ATOM 1669 O ALA A 109 9.155 -11.762 7.570 1.00 1.00 O ATOM 1670 CB ALA A 109 10.467 -8.756 7.603 1.00 1.00 C ATOM 0 H ALA A 109 9.436 -7.911 5.540 1.00 1.00 H new ATOM 0 HA ALA A 109 10.627 -10.318 6.114 1.00 1.00 H new ATOM 0 HB1 ALA A 109 10.927 -9.345 8.396 1.00 1.00 H new ATOM 0 HB2 ALA A 109 11.224 -8.132 7.128 1.00 1.00 H new ATOM 0 HB3 ALA A 109 9.689 -8.122 8.027 1.00 1.00 H new ATOM 1676 N GLU A 110 7.609 -10.136 7.411 1.00 1.00 N ATOM 1677 CA GLU A 110 6.555 -10.932 8.047 1.00 1.00 C ATOM 1678 C GLU A 110 5.276 -10.871 7.226 1.00 1.00 C ATOM 1679 O GLU A 110 4.526 -11.844 7.158 1.00 1.00 O ATOM 1680 CB GLU A 110 6.291 -10.410 9.462 1.00 1.00 C ATOM 1681 CG GLU A 110 5.851 -8.946 9.396 1.00 1.00 C ATOM 1682 CD GLU A 110 5.664 -8.395 10.806 1.00 1.00 C ATOM 1683 OE1 GLU A 110 5.172 -9.129 11.648 1.00 1.00 O ATOM 1684 OE2 GLU A 110 6.018 -7.248 11.022 1.00 1.00 O ATOM 0 H GLU A 110 7.320 -9.199 7.131 1.00 1.00 H new ATOM 0 HA GLU A 110 6.885 -11.969 8.103 1.00 1.00 H new ATOM 0 HB2 GLU A 110 5.520 -11.011 9.944 1.00 1.00 H new ATOM 0 HB3 GLU A 110 7.192 -10.502 10.068 1.00 1.00 H new ATOM 0 HG2 GLU A 110 6.597 -8.357 8.862 1.00 1.00 H new ATOM 0 HG3 GLU A 110 4.919 -8.862 8.837 1.00 1.00 H new ATOM 1691 N LEU A 111 5.025 -9.722 6.605 1.00 1.00 N ATOM 1692 CA LEU A 111 3.828 -9.558 5.804 1.00 1.00 C ATOM 1693 C LEU A 111 3.928 -10.458 4.579 1.00 1.00 C ATOM 1694 O LEU A 111 4.907 -10.407 3.834 1.00 1.00 O ATOM 1695 CB LEU A 111 3.684 -8.081 5.383 1.00 1.00 C ATOM 1696 CG LEU A 111 2.207 -7.708 5.139 1.00 1.00 C ATOM 1697 CD1 LEU A 111 1.579 -8.654 4.108 1.00 1.00 C ATOM 1698 CD2 LEU A 111 1.407 -7.761 6.459 1.00 1.00 C ATOM 0 H LEU A 111 5.630 -8.902 6.643 1.00 1.00 H new ATOM 0 HA LEU A 111 2.948 -9.838 6.383 1.00 1.00 H new ATOM 0 HB2 LEU A 111 4.100 -7.438 6.158 1.00 1.00 H new ATOM 0 HB3 LEU A 111 4.261 -7.901 4.476 1.00 1.00 H new ATOM 0 HG LEU A 111 2.173 -6.690 4.751 1.00 1.00 H new ATOM 0 HD11 LEU A 111 0.537 -8.377 3.947 1.00 1.00 H new ATOM 0 HD12 LEU A 111 2.123 -8.579 3.167 1.00 1.00 H new ATOM 0 HD13 LEU A 111 1.630 -9.679 4.476 1.00 1.00 H new ATOM 0 HD21 LEU A 111 0.368 -7.495 6.266 1.00 1.00 H new ATOM 0 HD22 LEU A 111 1.453 -8.769 6.872 1.00 1.00 H new ATOM 0 HD23 LEU A 111 1.835 -7.057 7.172 1.00 1.00 H new ATOM 1710 N LYS A 112 2.904 -11.268 4.373 1.00 1.00 N ATOM 1711 CA LYS A 112 2.869 -12.165 3.229 1.00 1.00 C ATOM 1712 C LYS A 112 1.431 -12.425 2.841 1.00 1.00 C ATOM 1713 O LYS A 112 0.787 -13.321 3.381 1.00 1.00 O ATOM 1714 CB LYS A 112 3.572 -13.483 3.551 1.00 1.00 C ATOM 1715 CG LYS A 112 3.802 -14.257 2.253 1.00 1.00 C ATOM 1716 CD LYS A 112 4.611 -15.516 2.547 1.00 1.00 C ATOM 1717 CE LYS A 112 4.866 -16.272 1.244 1.00 1.00 C ATOM 1718 NZ LYS A 112 5.703 -17.470 1.528 1.00 1.00 N ATOM 0 H LYS A 112 2.087 -11.324 4.981 1.00 1.00 H new ATOM 0 HA LYS A 112 3.394 -11.696 2.397 1.00 1.00 H new ATOM 0 HB2 LYS A 112 4.523 -13.290 4.048 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.967 -14.074 4.239 1.00 1.00 H new ATOM 0 HG2 LYS A 112 2.846 -14.523 1.802 1.00 1.00 H new ATOM 0 HG3 LYS A 112 4.331 -13.632 1.533 1.00 1.00 H new ATOM 0 HD2 LYS A 112 5.558 -15.251 3.018 1.00 1.00 H new ATOM 0 HD3 LYS A 112 4.072 -16.152 3.250 1.00 1.00 H new ATOM 0 HE2 LYS A 112 3.920 -16.573 0.793 1.00 1.00 H new ATOM 0 HE3 LYS A 112 5.369 -15.624 0.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 5.879 -17.988 0.644 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 6.610 -17.170 1.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 5.206 -18.090 2.199 1.00 1.00 H new ATOM 1732 N LEU A 113 0.925 -11.620 1.909 1.00 1.00 N ATOM 1733 CA LEU A 113 -0.469 -11.750 1.461 1.00 1.00 C ATOM 1734 C LEU A 113 -0.564 -11.565 -0.057 1.00 1.00 C ATOM 1735 O LEU A 113 0.442 -11.367 -0.734 1.00 1.00 O ATOM 1736 CB LEU A 113 -1.345 -10.690 2.189 1.00 1.00 C ATOM 1737 CG LEU A 113 -2.277 -11.341 3.240 1.00 1.00 C ATOM 1738 CD1 LEU A 113 -3.215 -12.380 2.577 1.00 1.00 C ATOM 1739 CD2 LEU A 113 -1.446 -12.008 4.362 1.00 1.00 C ATOM 0 H LEU A 113 1.450 -10.876 1.450 1.00 1.00 H new ATOM 0 HA LEU A 113 -0.832 -12.748 1.706 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -0.701 -9.959 2.677 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.944 -10.148 1.457 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.892 -10.556 3.680 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.860 -12.824 3.335 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.828 -11.887 1.822 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -2.618 -13.161 2.106 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.117 -12.460 5.092 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -0.806 -12.778 3.932 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -0.829 -11.256 4.854 1.00 1.00 H new ATOM 1751 N VAL A 114 -1.792 -11.621 -0.577 1.00 1.00 N ATOM 1752 CA VAL A 114 -2.039 -11.454 -2.010 1.00 1.00 C ATOM 1753 C VAL A 114 -3.108 -10.384 -2.234 1.00 1.00 C ATOM 1754 O VAL A 114 -4.182 -10.444 -1.636 1.00 1.00 O ATOM 1755 CB VAL A 114 -2.528 -12.784 -2.600 1.00 1.00 C ATOM 1756 CG1 VAL A 114 -2.960 -12.575 -4.056 1.00 1.00 C ATOM 1757 CG2 VAL A 114 -1.407 -13.829 -2.536 1.00 1.00 C ATOM 0 H VAL A 114 -2.634 -11.781 -0.024 1.00 1.00 H new ATOM 0 HA VAL A 114 -1.114 -11.148 -2.498 1.00 1.00 H new ATOM 0 HB VAL A 114 -3.379 -13.140 -2.020 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -3.307 -13.521 -4.472 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -3.768 -11.844 -4.095 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -2.113 -12.211 -4.638 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -1.762 -14.770 -2.957 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -0.548 -13.477 -3.108 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -1.113 -13.984 -1.498 1.00 1.00 H new ATOM 1767 N PHE A 115 -2.820 -9.416 -3.104 1.00 1.00 N ATOM 1768 CA PHE A 115 -3.773 -8.343 -3.408 1.00 1.00 C ATOM 1769 C PHE A 115 -4.086 -8.317 -4.901 1.00 1.00 C ATOM 1770 O PHE A 115 -3.212 -8.544 -5.737 1.00 1.00 O ATOM 1771 CB PHE A 115 -3.209 -6.983 -2.982 1.00 1.00 C ATOM 1772 CG PHE A 115 -3.238 -6.863 -1.478 1.00 1.00 C ATOM 1773 CD1 PHE A 115 -2.254 -7.488 -0.701 1.00 1.00 C ATOM 1774 CD2 PHE A 115 -4.249 -6.117 -0.861 1.00 1.00 C ATOM 1775 CE1 PHE A 115 -2.286 -7.366 0.694 1.00 1.00 C ATOM 1776 CE2 PHE A 115 -4.280 -5.996 0.532 1.00 1.00 C ATOM 1777 CZ PHE A 115 -3.299 -6.619 1.310 1.00 1.00 C ATOM 0 H PHE A 115 -1.937 -9.351 -3.611 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.690 -8.538 -2.851 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -2.187 -6.874 -3.345 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -3.794 -6.180 -3.431 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -1.473 -8.062 -1.176 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -5.006 -5.634 -1.461 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -1.529 -7.848 1.295 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -5.062 -5.421 1.007 1.00 1.00 H new ATOM 0 HZ PHE A 115 -3.322 -6.524 2.386 1.00 1.00 H new ATOM 1787 N GLN A 116 -5.349 -8.040 -5.223 1.00 1.00 N ATOM 1788 CA GLN A 116 -5.799 -7.984 -6.615 1.00 1.00 C ATOM 1789 C GLN A 116 -6.119 -6.541 -7.015 1.00 1.00 C ATOM 1790 O GLN A 116 -7.259 -6.093 -6.889 1.00 1.00 O ATOM 1791 CB GLN A 116 -7.050 -8.848 -6.793 1.00 1.00 C ATOM 1792 CG GLN A 116 -7.344 -9.037 -8.282 1.00 1.00 C ATOM 1793 CD GLN A 116 -6.278 -9.911 -8.926 1.00 1.00 C ATOM 1794 OE1 GLN A 116 -6.190 -11.103 -8.638 1.00 1.00 O ATOM 1795 NE2 GLN A 116 -5.450 -9.378 -9.777 1.00 1.00 N ATOM 0 H GLN A 116 -6.081 -7.850 -4.538 1.00 1.00 H new ATOM 0 HA GLN A 116 -5.000 -8.362 -7.253 1.00 1.00 H new ATOM 0 HB2 GLN A 116 -6.904 -9.817 -6.316 1.00 1.00 H new ATOM 0 HB3 GLN A 116 -7.901 -8.376 -6.302 1.00 1.00 H new ATOM 0 HG2 GLN A 116 -8.325 -9.495 -8.410 1.00 1.00 H new ATOM 0 HG3 GLN A 116 -7.377 -8.067 -8.779 1.00 1.00 H new ATOM 0 HE21 GLN A 116 -5.527 -8.389 -10.013 1.00 1.00 H new ATOM 0 HE22 GLN A 116 -4.724 -9.950 -10.208 1.00 1.00 H new ATOM 1804 N LEU A 117 -5.105 -5.815 -7.485 1.00 1.00 N ATOM 1805 CA LEU A 117 -5.294 -4.421 -7.886 1.00 1.00 C ATOM 1806 C LEU A 117 -5.896 -4.356 -9.299 1.00 1.00 C ATOM 1807 O LEU A 117 -5.674 -5.263 -10.101 1.00 1.00 O ATOM 1808 CB LEU A 117 -3.935 -3.703 -7.853 1.00 1.00 C ATOM 1809 CG LEU A 117 -3.556 -3.309 -6.414 1.00 1.00 C ATOM 1810 CD1 LEU A 117 -4.411 -2.130 -5.921 1.00 1.00 C ATOM 1811 CD2 LEU A 117 -3.741 -4.506 -5.478 1.00 1.00 C ATOM 0 H LEU A 117 -4.153 -6.164 -7.597 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.981 -3.931 -7.197 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -3.166 -4.353 -8.271 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -3.975 -2.812 -8.480 1.00 1.00 H new ATOM 0 HG LEU A 117 -2.510 -3.002 -6.411 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -4.122 -1.872 -4.902 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -4.254 -1.269 -6.571 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.464 -2.411 -5.940 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -3.471 -4.219 -4.462 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -4.782 -4.827 -5.499 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -3.102 -5.326 -5.805 1.00 1.00 H new ATOM 1823 N PRO A 118 -6.655 -3.323 -9.627 1.00 1.00 N ATOM 1824 CA PRO A 118 -7.289 -3.198 -10.977 1.00 1.00 C ATOM 1825 C PRO A 118 -6.290 -2.731 -12.033 1.00 1.00 C ATOM 1826 O PRO A 118 -5.670 -1.679 -11.897 1.00 1.00 O ATOM 1827 CB PRO A 118 -8.403 -2.176 -10.751 1.00 1.00 C ATOM 1828 CG PRO A 118 -7.895 -1.296 -9.657 1.00 1.00 C ATOM 1829 CD PRO A 118 -6.988 -2.165 -8.770 1.00 1.00 C ATOM 0 HA PRO A 118 -7.661 -4.148 -11.359 1.00 1.00 H new ATOM 0 HB2 PRO A 118 -8.606 -1.605 -11.657 1.00 1.00 H new ATOM 0 HB3 PRO A 118 -9.335 -2.663 -10.466 1.00 1.00 H new ATOM 0 HG2 PRO A 118 -7.340 -0.452 -10.067 1.00 1.00 H new ATOM 0 HG3 PRO A 118 -8.721 -0.884 -9.078 1.00 1.00 H new ATOM 0 HD2 PRO A 118 -6.093 -1.624 -8.464 1.00 1.00 H new ATOM 0 HD3 PRO A 118 -7.500 -2.476 -7.859 1.00 1.00 H new ATOM 1837 N PHE A 119 -6.126 -3.541 -13.069 1.00 1.00 N ATOM 1838 CA PHE A 119 -5.183 -3.274 -14.156 1.00 1.00 C ATOM 1839 C PHE A 119 -5.421 -1.949 -14.862 1.00 1.00 C ATOM 1840 O PHE A 119 -6.556 -1.517 -15.058 1.00 1.00 O ATOM 1841 CB PHE A 119 -5.310 -4.400 -15.186 1.00 1.00 C ATOM 1842 CG PHE A 119 -4.337 -4.183 -16.315 1.00 1.00 C ATOM 1843 CD1 PHE A 119 -2.977 -4.419 -16.108 1.00 1.00 C ATOM 1844 CD2 PHE A 119 -4.793 -3.751 -17.567 1.00 1.00 C ATOM 1845 CE1 PHE A 119 -2.067 -4.223 -17.150 1.00 1.00 C ATOM 1846 CE2 PHE A 119 -3.884 -3.554 -18.612 1.00 1.00 C ATOM 1847 CZ PHE A 119 -2.519 -3.791 -18.402 1.00 1.00 C ATOM 0 H PHE A 119 -6.646 -4.411 -13.184 1.00 1.00 H new ATOM 0 HA PHE A 119 -4.189 -3.222 -13.712 1.00 1.00 H new ATOM 0 HB2 PHE A 119 -5.118 -5.362 -14.710 1.00 1.00 H new ATOM 0 HB3 PHE A 119 -6.328 -4.434 -15.575 1.00 1.00 H new ATOM 0 HD1 PHE A 119 -2.628 -4.753 -15.142 1.00 1.00 H new ATOM 0 HD2 PHE A 119 -5.846 -3.570 -17.726 1.00 1.00 H new ATOM 0 HE1 PHE A 119 -1.015 -4.405 -16.989 1.00 1.00 H new ATOM 0 HE2 PHE A 119 -4.233 -3.220 -19.578 1.00 1.00 H new ATOM 0 HZ PHE A 119 -1.815 -3.640 -19.207 1.00 1.00 H new ATOM 1857 N GLY A 120 -4.313 -1.325 -15.256 1.00 1.00 N ATOM 1858 CA GLY A 120 -4.352 -0.051 -15.966 1.00 1.00 C ATOM 1859 C GLY A 120 -3.160 0.814 -15.599 1.00 1.00 C ATOM 1860 O GLY A 120 -2.347 0.448 -14.749 1.00 1.00 O ATOM 0 H GLY A 120 -3.372 -1.685 -15.094 1.00 1.00 H new ATOM 0 HA2 GLY A 120 -4.358 -0.230 -17.041 1.00 1.00 H new ATOM 0 HA3 GLY A 120 -5.276 0.475 -15.725 1.00 1.00 H new ATOM 1864 N SER A 121 -3.064 1.969 -16.244 1.00 1.00 N ATOM 1865 CA SER A 121 -1.970 2.890 -15.979 1.00 1.00 C ATOM 1866 C SER A 121 -2.031 3.376 -14.535 1.00 1.00 C ATOM 1867 O SER A 121 -1.028 3.820 -13.976 1.00 1.00 O ATOM 1868 CB SER A 121 -2.059 4.085 -16.928 1.00 1.00 C ATOM 1869 OG SER A 121 -3.276 4.783 -16.696 1.00 1.00 O ATOM 0 H SER A 121 -3.727 2.288 -16.950 1.00 1.00 H new ATOM 0 HA SER A 121 -1.025 2.371 -16.139 1.00 1.00 H new ATOM 0 HB2 SER A 121 -1.210 4.751 -16.773 1.00 1.00 H new ATOM 0 HB3 SER A 121 -2.013 3.746 -17.963 1.00 1.00 H new ATOM 0 HG SER A 121 -3.334 5.551 -17.303 1.00 1.00 H new ATOM 1875 N HIS A 122 -3.216 3.296 -13.939 1.00 1.00 N ATOM 1876 CA HIS A 122 -3.394 3.737 -12.562 1.00 1.00 C ATOM 1877 C HIS A 122 -2.631 2.823 -11.600 1.00 1.00 C ATOM 1878 O HIS A 122 -1.966 3.298 -10.681 1.00 1.00 O ATOM 1879 CB HIS A 122 -4.887 3.751 -12.198 1.00 1.00 C ATOM 1880 CG HIS A 122 -5.118 4.629 -10.991 1.00 1.00 C ATOM 1881 ND1 HIS A 122 -4.761 5.970 -10.978 1.00 1.00 N ATOM 1882 CD2 HIS A 122 -5.686 4.385 -9.763 1.00 1.00 C ATOM 1883 CE1 HIS A 122 -5.115 6.475 -9.782 1.00 1.00 C ATOM 1884 NE2 HIS A 122 -5.684 5.551 -9.004 1.00 1.00 N ATOM 0 H HIS A 122 -4.059 2.933 -14.383 1.00 1.00 H new ATOM 0 HA HIS A 122 -2.996 4.748 -12.471 1.00 1.00 H new ATOM 0 HB2 HIS A 122 -5.472 4.118 -13.042 1.00 1.00 H new ATOM 0 HB3 HIS A 122 -5.228 2.737 -11.991 1.00 1.00 H new ATOM 0 HD2 HIS A 122 -6.075 3.432 -9.437 1.00 1.00 H new ATOM 0 HE1 HIS A 122 -4.958 7.502 -9.487 1.00 1.00 H new ATOM 0 HE2 HIS A 122 -6.041 5.674 -8.056 1.00 1.00 H new ATOM 1892 N THR A 123 -2.720 1.505 -11.818 1.00 1.00 N ATOM 1893 CA THR A 123 -2.026 0.544 -10.961 1.00 1.00 C ATOM 1894 C THR A 123 -0.545 0.439 -11.313 1.00 1.00 C ATOM 1895 O THR A 123 0.307 0.321 -10.433 1.00 1.00 O ATOM 1896 CB THR A 123 -2.664 -0.846 -11.080 1.00 1.00 C ATOM 1897 OG1 THR A 123 -3.981 -0.806 -10.553 1.00 1.00 O ATOM 1898 CG2 THR A 123 -1.829 -1.864 -10.296 1.00 1.00 C ATOM 0 H THR A 123 -3.261 1.085 -12.574 1.00 1.00 H new ATOM 0 HA THR A 123 -2.118 0.908 -9.938 1.00 1.00 H new ATOM 0 HB THR A 123 -2.700 -1.141 -12.129 1.00 1.00 H new ATOM 0 HG1 THR A 123 -4.534 -1.479 -11.003 1.00 1.00 H new ATOM 0 HG21 THR A 123 -2.284 -2.851 -10.382 1.00 1.00 H new ATOM 0 HG22 THR A 123 -0.818 -1.894 -10.701 1.00 1.00 H new ATOM 0 HG23 THR A 123 -1.791 -1.572 -9.247 1.00 1.00 H new ATOM 1906 N ARG A 124 -0.246 0.458 -12.601 1.00 1.00 N ATOM 1907 CA ARG A 124 1.131 0.337 -13.056 1.00 1.00 C ATOM 1908 C ARG A 124 2.011 1.393 -12.428 1.00 1.00 C ATOM 1909 O ARG A 124 3.143 1.115 -12.043 1.00 1.00 O ATOM 1910 CB ARG A 124 1.185 0.490 -14.581 1.00 1.00 C ATOM 1911 CG ARG A 124 2.644 0.544 -15.069 1.00 1.00 C ATOM 1912 CD ARG A 124 2.674 0.774 -16.569 1.00 1.00 C ATOM 1913 NE ARG A 124 1.802 1.892 -16.929 1.00 1.00 N ATOM 1914 CZ ARG A 124 2.235 3.151 -16.894 1.00 1.00 C ATOM 1915 NH1 ARG A 124 3.459 3.411 -16.519 1.00 1.00 N ATOM 1916 NH2 ARG A 124 1.435 4.127 -17.230 1.00 1.00 N ATOM 0 H ARG A 124 -0.934 0.556 -13.348 1.00 1.00 H new ATOM 0 HA ARG A 124 1.497 -0.646 -12.759 1.00 1.00 H new ATOM 0 HB2 ARG A 124 0.668 -0.345 -15.054 1.00 1.00 H new ATOM 0 HB3 ARG A 124 0.662 1.399 -14.879 1.00 1.00 H new ATOM 0 HG2 ARG A 124 3.179 1.344 -14.558 1.00 1.00 H new ATOM 0 HG3 ARG A 124 3.154 -0.388 -14.824 1.00 1.00 H new ATOM 0 HD2 ARG A 124 3.694 0.981 -16.892 1.00 1.00 H new ATOM 0 HD3 ARG A 124 2.353 -0.129 -17.089 1.00 1.00 H new ATOM 0 HE ARG A 124 0.841 1.703 -17.213 1.00 1.00 H new ATOM 0 HH11 ARG A 124 4.083 2.650 -16.253 1.00 1.00 H new ATOM 0 HH12 ARG A 124 3.790 4.375 -16.492 1.00 1.00 H new ATOM 0 HH21 ARG A 124 0.478 3.925 -17.519 1.00 1.00 H new ATOM 0 HH22 ARG A 124 1.767 5.091 -17.203 1.00 1.00 H new ATOM 1930 N THR A 125 1.501 2.599 -12.346 1.00 1.00 N ATOM 1931 CA THR A 125 2.275 3.686 -11.790 1.00 1.00 C ATOM 1932 C THR A 125 2.716 3.334 -10.373 1.00 1.00 C ATOM 1933 O THR A 125 3.832 3.648 -9.959 1.00 1.00 O ATOM 1934 CB THR A 125 1.448 4.974 -11.773 1.00 1.00 C ATOM 1935 OG1 THR A 125 1.109 5.334 -13.105 1.00 1.00 O ATOM 1936 CG2 THR A 125 2.259 6.099 -11.129 1.00 1.00 C ATOM 0 H THR A 125 0.562 2.852 -12.654 1.00 1.00 H new ATOM 0 HA THR A 125 3.156 3.844 -12.412 1.00 1.00 H new ATOM 0 HB THR A 125 0.538 4.812 -11.196 1.00 1.00 H new ATOM 0 HG1 THR A 125 0.321 4.826 -13.391 1.00 1.00 H new ATOM 0 HG21 THR A 125 1.667 7.014 -11.119 1.00 1.00 H new ATOM 0 HG22 THR A 125 2.517 5.822 -10.107 1.00 1.00 H new ATOM 0 HG23 THR A 125 3.172 6.264 -11.702 1.00 1.00 H new ATOM 1944 N PHE A 126 1.817 2.696 -9.630 1.00 1.00 N ATOM 1945 CA PHE A 126 2.105 2.318 -8.252 1.00 1.00 C ATOM 1946 C PHE A 126 3.349 1.441 -8.178 1.00 1.00 C ATOM 1947 O PHE A 126 4.218 1.664 -7.334 1.00 1.00 O ATOM 1948 CB PHE A 126 0.914 1.561 -7.660 1.00 1.00 C ATOM 1949 CG PHE A 126 1.159 1.287 -6.197 1.00 1.00 C ATOM 1950 CD1 PHE A 126 1.809 0.111 -5.801 1.00 1.00 C ATOM 1951 CD2 PHE A 126 0.735 2.207 -5.234 1.00 1.00 C ATOM 1952 CE1 PHE A 126 2.033 -0.143 -4.442 1.00 1.00 C ATOM 1953 CE2 PHE A 126 0.958 1.956 -3.875 1.00 1.00 C ATOM 1954 CZ PHE A 126 1.608 0.780 -3.479 1.00 1.00 C ATOM 0 H PHE A 126 0.888 2.431 -9.957 1.00 1.00 H new ATOM 0 HA PHE A 126 2.284 3.228 -7.680 1.00 1.00 H new ATOM 0 HB2 PHE A 126 0.002 2.146 -7.782 1.00 1.00 H new ATOM 0 HB3 PHE A 126 0.765 0.623 -8.195 1.00 1.00 H new ATOM 0 HD1 PHE A 126 2.138 -0.600 -6.544 1.00 1.00 H new ATOM 0 HD2 PHE A 126 0.234 3.114 -5.539 1.00 1.00 H new ATOM 0 HE1 PHE A 126 2.533 -1.050 -4.137 1.00 1.00 H new ATOM 0 HE2 PHE A 126 0.629 2.668 -3.133 1.00 1.00 H new ATOM 0 HZ PHE A 126 1.781 0.585 -2.431 1.00 1.00 H new ATOM 1964 N LEU A 127 3.415 0.414 -9.018 1.00 1.00 N ATOM 1965 CA LEU A 127 4.544 -0.510 -8.978 1.00 1.00 C ATOM 1966 C LEU A 127 5.869 0.226 -9.050 1.00 1.00 C ATOM 1967 O LEU A 127 6.786 -0.053 -8.274 1.00 1.00 O ATOM 1968 CB LEU A 127 4.482 -1.462 -10.178 1.00 1.00 C ATOM 1969 CG LEU A 127 3.094 -2.091 -10.291 1.00 1.00 C ATOM 1970 CD1 LEU A 127 3.067 -3.012 -11.512 1.00 1.00 C ATOM 1971 CD2 LEU A 127 2.784 -2.900 -9.022 1.00 1.00 C ATOM 0 H LEU A 127 2.712 0.201 -9.725 1.00 1.00 H new ATOM 0 HA LEU A 127 4.479 -1.056 -8.037 1.00 1.00 H new ATOM 0 HB2 LEU A 127 4.717 -0.919 -11.093 1.00 1.00 H new ATOM 0 HB3 LEU A 127 5.234 -2.243 -10.069 1.00 1.00 H new ATOM 0 HG LEU A 127 2.343 -1.309 -10.402 1.00 1.00 H new ATOM 0 HD11 LEU A 127 2.081 -3.467 -11.603 1.00 1.00 H new ATOM 0 HD12 LEU A 127 3.284 -2.433 -12.410 1.00 1.00 H new ATOM 0 HD13 LEU A 127 3.818 -3.794 -11.395 1.00 1.00 H new ATOM 0 HD21 LEU A 127 1.793 -3.346 -9.108 1.00 1.00 H new ATOM 0 HD22 LEU A 127 3.528 -3.688 -8.902 1.00 1.00 H new ATOM 0 HD23 LEU A 127 2.811 -2.241 -8.154 1.00 1.00 H new ATOM 1983 N GLN A 128 5.980 1.140 -9.999 1.00 1.00 N ATOM 1984 CA GLN A 128 7.211 1.883 -10.198 1.00 1.00 C ATOM 1985 C GLN A 128 7.596 2.691 -8.961 1.00 1.00 C ATOM 1986 O GLN A 128 8.775 2.775 -8.612 1.00 1.00 O ATOM 1987 CB GLN A 128 7.035 2.820 -11.397 1.00 1.00 C ATOM 1988 CG GLN A 128 6.363 2.062 -12.548 1.00 1.00 C ATOM 1989 CD GLN A 128 7.128 0.779 -12.857 1.00 1.00 C ATOM 1990 OE1 GLN A 128 8.360 0.780 -12.881 1.00 1.00 O ATOM 1991 NE2 GLN A 128 6.465 -0.326 -13.102 1.00 1.00 N ATOM 0 H GLN A 128 5.230 1.385 -10.645 1.00 1.00 H new ATOM 0 HA GLN A 128 8.015 1.171 -10.384 1.00 1.00 H new ATOM 0 HB2 GLN A 128 6.430 3.681 -11.113 1.00 1.00 H new ATOM 0 HB3 GLN A 128 8.004 3.203 -11.717 1.00 1.00 H new ATOM 0 HG2 GLN A 128 5.333 1.824 -12.283 1.00 1.00 H new ATOM 0 HG3 GLN A 128 6.326 2.694 -13.435 1.00 1.00 H new ATOM 0 HE21 GLN A 128 5.445 -0.324 -13.081 1.00 1.00 H new ATOM 0 HE22 GLN A 128 6.969 -1.187 -13.313 1.00 1.00 H new ATOM 2000 N GLU A 129 6.612 3.295 -8.307 1.00 1.00 N ATOM 2001 CA GLU A 129 6.891 4.102 -7.123 1.00 1.00 C ATOM 2002 C GLU A 129 7.542 3.260 -6.029 1.00 1.00 C ATOM 2003 O GLU A 129 8.441 3.728 -5.334 1.00 1.00 O ATOM 2004 CB GLU A 129 5.599 4.714 -6.578 1.00 1.00 C ATOM 2005 CG GLU A 129 5.022 5.705 -7.591 1.00 1.00 C ATOM 2006 CD GLU A 129 5.956 6.899 -7.753 1.00 1.00 C ATOM 2007 OE1 GLU A 129 6.771 7.113 -6.869 1.00 1.00 O ATOM 2008 OE2 GLU A 129 5.844 7.584 -8.755 1.00 1.00 O ATOM 0 H GLU A 129 5.628 3.244 -8.570 1.00 1.00 H new ATOM 0 HA GLU A 129 7.577 4.896 -7.418 1.00 1.00 H new ATOM 0 HB2 GLU A 129 4.873 3.928 -6.372 1.00 1.00 H new ATOM 0 HB3 GLU A 129 5.797 5.221 -5.633 1.00 1.00 H new ATOM 0 HG2 GLU A 129 4.881 5.212 -8.553 1.00 1.00 H new ATOM 0 HG3 GLU A 129 4.041 6.044 -7.260 1.00 1.00 H new ATOM 2015 N VAL A 130 7.085 2.023 -5.880 1.00 1.00 N ATOM 2016 CA VAL A 130 7.647 1.143 -4.862 1.00 1.00 C ATOM 2017 C VAL A 130 9.111 0.825 -5.181 1.00 1.00 C ATOM 2018 O VAL A 130 9.973 0.857 -4.307 1.00 1.00 O ATOM 2019 CB VAL A 130 6.824 -0.147 -4.786 1.00 1.00 C ATOM 2020 CG1 VAL A 130 7.520 -1.161 -3.872 1.00 1.00 C ATOM 2021 CG2 VAL A 130 5.439 0.176 -4.220 1.00 1.00 C ATOM 0 H VAL A 130 6.339 1.611 -6.441 1.00 1.00 H new ATOM 0 HA VAL A 130 7.610 1.646 -3.896 1.00 1.00 H new ATOM 0 HB VAL A 130 6.730 -0.573 -5.785 1.00 1.00 H new ATOM 0 HG11 VAL A 130 6.927 -2.075 -3.824 1.00 1.00 H new ATOM 0 HG12 VAL A 130 8.509 -1.390 -4.269 1.00 1.00 H new ATOM 0 HG13 VAL A 130 7.620 -0.741 -2.871 1.00 1.00 H new ATOM 0 HG21 VAL A 130 4.847 -0.738 -4.163 1.00 1.00 H new ATOM 0 HG22 VAL A 130 5.544 0.603 -3.223 1.00 1.00 H new ATOM 0 HG23 VAL A 130 4.938 0.893 -4.871 1.00 1.00 H new ATOM 2031 N ALA A 131 9.364 0.495 -6.442 1.00 1.00 N ATOM 2032 CA ALA A 131 10.713 0.141 -6.889 1.00 1.00 C ATOM 2033 C ALA A 131 11.724 1.251 -6.588 1.00 1.00 C ATOM 2034 O ALA A 131 12.794 0.991 -6.035 1.00 1.00 O ATOM 2035 CB ALA A 131 10.708 -0.139 -8.392 1.00 1.00 C ATOM 0 H ALA A 131 8.656 0.464 -7.175 1.00 1.00 H new ATOM 0 HA ALA A 131 11.014 -0.752 -6.341 1.00 1.00 H new ATOM 0 HB1 ALA A 131 11.715 -0.402 -8.717 1.00 1.00 H new ATOM 0 HB2 ALA A 131 10.031 -0.966 -8.606 1.00 1.00 H new ATOM 0 HB3 ALA A 131 10.375 0.750 -8.927 1.00 1.00 H new ATOM 2041 N ARG A 132 11.391 2.481 -6.960 1.00 1.00 N ATOM 2042 CA ARG A 132 12.291 3.608 -6.729 1.00 1.00 C ATOM 2043 C ARG A 132 12.351 3.957 -5.247 1.00 1.00 C ATOM 2044 O ARG A 132 13.273 4.635 -4.790 1.00 1.00 O ATOM 2045 CB ARG A 132 11.824 4.827 -7.530 1.00 1.00 C ATOM 2046 CG ARG A 132 11.959 4.529 -9.023 1.00 1.00 C ATOM 2047 CD ARG A 132 11.431 5.713 -9.834 1.00 1.00 C ATOM 2048 NE ARG A 132 12.249 6.893 -9.584 1.00 1.00 N ATOM 2049 CZ ARG A 132 11.969 8.057 -10.160 1.00 1.00 C ATOM 2050 NH1 ARG A 132 10.957 8.153 -10.979 1.00 1.00 N ATOM 2051 NH2 ARG A 132 12.707 9.101 -9.908 1.00 1.00 N ATOM 0 H ARG A 132 10.513 2.724 -7.419 1.00 1.00 H new ATOM 0 HA ARG A 132 13.289 3.321 -7.059 1.00 1.00 H new ATOM 0 HB2 ARG A 132 10.788 5.062 -7.286 1.00 1.00 H new ATOM 0 HB3 ARG A 132 12.420 5.701 -7.266 1.00 1.00 H new ATOM 0 HG2 ARG A 132 13.003 4.341 -9.273 1.00 1.00 H new ATOM 0 HG3 ARG A 132 11.403 3.626 -9.275 1.00 1.00 H new ATOM 0 HD2 ARG A 132 11.443 5.471 -10.897 1.00 1.00 H new ATOM 0 HD3 ARG A 132 10.394 5.915 -9.565 1.00 1.00 H new ATOM 0 HE ARG A 132 13.050 6.824 -8.956 1.00 1.00 H new ATOM 0 HH11 ARG A 132 10.381 7.334 -11.177 1.00 1.00 H new ATOM 0 HH12 ARG A 132 10.742 9.047 -11.421 1.00 1.00 H new ATOM 0 HH21 ARG A 132 13.498 9.024 -9.269 1.00 1.00 H new ATOM 0 HH22 ARG A 132 12.493 9.995 -10.350 1.00 1.00 H new ATOM 2065 N ALA A 133 11.348 3.504 -4.509 1.00 1.00 N ATOM 2066 CA ALA A 133 11.264 3.780 -3.079 1.00 1.00 C ATOM 2067 C ALA A 133 12.525 3.334 -2.338 1.00 1.00 C ATOM 2068 O ALA A 133 12.792 3.818 -1.240 1.00 1.00 O ATOM 2069 CB ALA A 133 10.048 3.071 -2.488 1.00 1.00 C ATOM 0 H ALA A 133 10.579 2.943 -4.876 1.00 1.00 H new ATOM 0 HA ALA A 133 11.166 4.859 -2.955 1.00 1.00 H new ATOM 0 HB1 ALA A 133 9.989 3.280 -1.420 1.00 1.00 H new ATOM 0 HB2 ALA A 133 9.143 3.430 -2.979 1.00 1.00 H new ATOM 0 HB3 ALA A 133 10.142 1.996 -2.643 1.00 1.00 H new ATOM 2075 N CYS A 134 13.309 2.442 -2.964 1.00 1.00 N ATOM 2076 CA CYS A 134 14.570 1.964 -2.367 1.00 1.00 C ATOM 2077 C CYS A 134 14.995 0.592 -2.918 1.00 1.00 C ATOM 2078 O CYS A 134 16.188 0.350 -3.107 1.00 1.00 O ATOM 2079 CB CYS A 134 14.462 1.912 -0.814 1.00 1.00 C ATOM 2080 SG CYS A 134 15.577 0.667 -0.111 1.00 1.00 S ATOM 0 H CYS A 134 13.096 2.039 -3.876 1.00 1.00 H new ATOM 0 HA CYS A 134 15.343 2.681 -2.646 1.00 1.00 H new ATOM 0 HB2 CYS A 134 14.700 2.891 -0.399 1.00 1.00 H new ATOM 0 HB3 CYS A 134 13.435 1.686 -0.527 1.00 1.00 H new ATOM 0 HG CYS A 134 15.457 0.658 1.183 1.00 1.00 H new ATOM 2086 N PRO A 135 14.076 -0.312 -3.141 1.00 1.00 N ATOM 2087 CA PRO A 135 14.417 -1.682 -3.629 1.00 1.00 C ATOM 2088 C PRO A 135 15.252 -1.681 -4.903 1.00 1.00 C ATOM 2089 O PRO A 135 16.244 -2.407 -4.978 1.00 1.00 O ATOM 2090 CB PRO A 135 13.055 -2.342 -3.875 1.00 1.00 C ATOM 2091 CG PRO A 135 12.099 -1.582 -3.016 1.00 1.00 C ATOM 2092 CD PRO A 135 12.627 -0.147 -2.963 1.00 1.00 C ATOM 0 HA PRO A 135 15.034 -2.211 -2.902 1.00 1.00 H new ATOM 0 HB2 PRO A 135 12.773 -2.285 -4.926 1.00 1.00 H new ATOM 0 HB3 PRO A 135 13.074 -3.398 -3.607 1.00 1.00 H new ATOM 0 HG2 PRO A 135 11.092 -1.612 -3.432 1.00 1.00 H new ATOM 0 HG3 PRO A 135 12.044 -2.014 -2.017 1.00 1.00 H new ATOM 0 HD2 PRO A 135 12.193 0.470 -3.750 1.00 1.00 H new ATOM 0 HD3 PRO A 135 12.391 0.334 -2.014 1.00 1.00 H new ATOM 2232 N GLU A 145 15.837 2.499 6.881 1.00 1.00 N ATOM 2233 CA GLU A 145 15.520 3.354 8.022 1.00 1.00 C ATOM 2234 C GLU A 145 14.008 3.520 8.118 1.00 1.00 C ATOM 2235 O GLU A 145 13.315 3.539 7.101 1.00 1.00 O ATOM 2236 CB GLU A 145 16.193 4.725 7.872 1.00 1.00 C ATOM 2237 CG GLU A 145 15.910 5.582 9.112 1.00 1.00 C ATOM 2238 CD GLU A 145 16.574 6.949 8.966 1.00 1.00 C ATOM 2239 OE1 GLU A 145 17.436 7.082 8.113 1.00 1.00 O ATOM 2240 OE2 GLU A 145 16.205 7.846 9.708 1.00 1.00 O ATOM 0 HA GLU A 145 15.896 2.888 8.933 1.00 1.00 H new ATOM 0 HB2 GLU A 145 17.268 4.600 7.743 1.00 1.00 H new ATOM 0 HB3 GLU A 145 15.821 5.227 6.979 1.00 1.00 H new ATOM 0 HG2 GLU A 145 14.835 5.703 9.242 1.00 1.00 H new ATOM 0 HG3 GLU A 145 16.285 5.080 10.004 1.00 1.00 H new ATOM 2247 N PHE A 146 13.498 3.624 9.337 1.00 1.00 N ATOM 2248 CA PHE A 146 12.058 3.771 9.540 1.00 1.00 C ATOM 2249 C PHE A 146 11.775 4.435 10.885 1.00 1.00 C ATOM 2250 O PHE A 146 10.642 4.448 11.358 1.00 1.00 O ATOM 2251 CB PHE A 146 11.395 2.388 9.479 1.00 1.00 C ATOM 2252 CG PHE A 146 12.286 1.375 10.159 1.00 1.00 C ATOM 2253 CD1 PHE A 146 13.299 0.735 9.433 1.00 1.00 C ATOM 2254 CD2 PHE A 146 12.103 1.080 11.513 1.00 1.00 C ATOM 2255 CE1 PHE A 146 14.126 -0.202 10.063 1.00 1.00 C ATOM 2256 CE2 PHE A 146 12.930 0.143 12.144 1.00 1.00 C ATOM 2257 CZ PHE A 146 13.943 -0.498 11.419 1.00 1.00 C ATOM 0 H PHE A 146 14.051 3.610 10.194 1.00 1.00 H new ATOM 0 HA PHE A 146 11.647 4.405 8.754 1.00 1.00 H new ATOM 0 HB2 PHE A 146 10.421 2.418 9.967 1.00 1.00 H new ATOM 0 HB3 PHE A 146 11.224 2.100 8.442 1.00 1.00 H new ATOM 0 HD1 PHE A 146 13.442 0.965 8.387 1.00 1.00 H new ATOM 0 HD2 PHE A 146 11.323 1.575 12.073 1.00 1.00 H new ATOM 0 HE1 PHE A 146 14.906 -0.697 9.503 1.00 1.00 H new ATOM 0 HE2 PHE A 146 12.787 -0.086 13.190 1.00 1.00 H new ATOM 0 HZ PHE A 146 14.582 -1.220 11.906 1.00 1.00 H new ATOM 2267 N GLU A 147 12.823 4.970 11.501 1.00 1.00 N ATOM 2268 CA GLU A 147 12.698 5.617 12.806 1.00 1.00 C ATOM 2269 C GLU A 147 11.663 6.746 12.806 1.00 1.00 C ATOM 2270 O GLU A 147 11.203 7.165 13.870 1.00 1.00 O ATOM 2271 CB GLU A 147 14.054 6.180 13.234 1.00 1.00 C ATOM 2272 CG GLU A 147 15.004 5.029 13.564 1.00 1.00 C ATOM 2273 CD GLU A 147 16.371 5.584 13.956 1.00 1.00 C ATOM 2274 OE1 GLU A 147 16.514 6.796 13.965 1.00 1.00 O ATOM 2275 OE2 GLU A 147 17.252 4.791 14.245 1.00 1.00 O ATOM 0 H GLU A 147 13.769 4.970 11.120 1.00 1.00 H new ATOM 0 HA GLU A 147 12.358 4.857 13.509 1.00 1.00 H new ATOM 0 HB2 GLU A 147 14.473 6.794 12.436 1.00 1.00 H new ATOM 0 HB3 GLU A 147 13.933 6.826 14.103 1.00 1.00 H new ATOM 0 HG2 GLU A 147 14.596 4.431 14.379 1.00 1.00 H new ATOM 0 HG3 GLU A 147 15.103 4.368 12.703 1.00 1.00 H new ATOM 2282 N TRP A 148 11.305 7.244 11.626 1.00 1.00 N ATOM 2283 CA TRP A 148 10.334 8.333 11.533 1.00 1.00 C ATOM 2284 C TRP A 148 8.902 7.810 11.662 1.00 1.00 C ATOM 2285 O TRP A 148 7.973 8.581 11.897 1.00 1.00 O ATOM 2286 CB TRP A 148 10.518 9.106 10.219 1.00 1.00 C ATOM 2287 CG TRP A 148 10.454 8.169 9.060 1.00 1.00 C ATOM 2288 CD1 TRP A 148 11.434 7.306 8.706 1.00 1.00 C ATOM 2289 CD2 TRP A 148 9.384 7.995 8.089 1.00 1.00 C ATOM 2290 NE1 TRP A 148 11.025 6.599 7.593 1.00 1.00 N ATOM 2291 CE2 TRP A 148 9.769 6.987 7.174 1.00 1.00 C ATOM 2292 CE3 TRP A 148 8.124 8.598 7.920 1.00 1.00 C ATOM 2293 CZ2 TRP A 148 8.936 6.593 6.127 1.00 1.00 C ATOM 2294 CZ3 TRP A 148 7.283 8.203 6.865 1.00 1.00 C ATOM 2295 CH2 TRP A 148 7.689 7.202 5.970 1.00 1.00 C ATOM 0 H TRP A 148 11.667 6.917 10.730 1.00 1.00 H new ATOM 0 HA TRP A 148 10.512 9.017 12.363 1.00 1.00 H new ATOM 0 HB2 TRP A 148 9.744 9.867 10.124 1.00 1.00 H new ATOM 0 HB3 TRP A 148 11.476 9.625 10.224 1.00 1.00 H new ATOM 0 HD1 TRP A 148 12.381 7.189 9.211 1.00 1.00 H new ATOM 0 HE1 TRP A 148 11.583 5.878 7.136 1.00 1.00 H new ATOM 0 HE3 TRP A 148 7.801 9.368 8.604 1.00 1.00 H new ATOM 0 HZ2 TRP A 148 9.254 5.821 5.441 1.00 1.00 H new ATOM 0 HZ3 TRP A 148 6.318 8.673 6.743 1.00 1.00 H new ATOM 0 HH2 TRP A 148 7.039 6.903 5.161 1.00 1.00 H new ATOM 2306 N LEU A 149 8.727 6.497 11.517 1.00 1.00 N ATOM 2307 CA LEU A 149 7.400 5.892 11.636 1.00 1.00 C ATOM 2308 C LEU A 149 6.877 6.050 13.061 1.00 1.00 C ATOM 2309 O LEU A 149 5.673 6.192 13.276 1.00 1.00 O ATOM 2310 CB LEU A 149 7.443 4.398 11.261 1.00 1.00 C ATOM 2311 CG LEU A 149 7.334 4.218 9.733 1.00 1.00 C ATOM 2312 CD1 LEU A 149 5.900 4.520 9.240 1.00 1.00 C ATOM 2313 CD2 LEU A 149 8.329 5.150 9.031 1.00 1.00 C ATOM 0 H LEU A 149 9.479 5.837 11.319 1.00 1.00 H new ATOM 0 HA LEU A 149 6.729 6.405 10.946 1.00 1.00 H new ATOM 0 HB2 LEU A 149 8.372 3.954 11.619 1.00 1.00 H new ATOM 0 HB3 LEU A 149 6.627 3.870 11.754 1.00 1.00 H new ATOM 0 HG LEU A 149 7.568 3.181 9.492 1.00 1.00 H new ATOM 0 HD11 LEU A 149 5.851 4.386 8.159 1.00 1.00 H new ATOM 0 HD12 LEU A 149 5.198 3.840 9.723 1.00 1.00 H new ATOM 0 HD13 LEU A 149 5.638 5.548 9.490 1.00 1.00 H new ATOM 0 HD21 LEU A 149 8.250 5.020 7.952 1.00 1.00 H new ATOM 0 HD22 LEU A 149 8.103 6.184 9.290 1.00 1.00 H new ATOM 0 HD23 LEU A 149 9.342 4.908 9.352 1.00 1.00 H new ATOM 2325 N SER A 150 7.787 6.022 14.030 1.00 1.00 N ATOM 2326 CA SER A 150 7.399 6.160 15.427 1.00 1.00 C ATOM 2327 C SER A 150 6.474 7.354 15.595 1.00 1.00 C ATOM 2328 O SER A 150 5.542 7.327 16.400 1.00 1.00 O ATOM 2329 CB SER A 150 8.644 6.360 16.281 1.00 1.00 C ATOM 2330 OG SER A 150 9.462 5.202 16.192 1.00 1.00 O ATOM 0 H SER A 150 8.788 5.906 13.875 1.00 1.00 H new ATOM 0 HA SER A 150 6.877 5.257 15.743 1.00 1.00 H new ATOM 0 HB2 SER A 150 9.196 7.237 15.941 1.00 1.00 H new ATOM 0 HB3 SER A 150 8.363 6.542 17.318 1.00 1.00 H new ATOM 0 HG SER A 150 10.266 5.326 16.739 1.00 1.00 H new ATOM 2336 N ARG A 151 6.728 8.395 14.814 1.00 1.00 N ATOM 2337 CA ARG A 151 5.901 9.591 14.864 1.00 1.00 C ATOM 2338 C ARG A 151 4.478 9.221 14.489 1.00 1.00 C ATOM 2339 O ARG A 151 3.512 9.683 15.097 1.00 1.00 O ATOM 2340 CB ARG A 151 6.429 10.620 13.868 1.00 1.00 C ATOM 2341 CG ARG A 151 7.764 11.172 14.358 1.00 1.00 C ATOM 2342 CD ARG A 151 8.351 12.087 13.284 1.00 1.00 C ATOM 2343 NE ARG A 151 7.497 13.254 13.095 1.00 1.00 N ATOM 2344 CZ ARG A 151 7.718 14.121 12.113 1.00 1.00 C ATOM 2345 NH1 ARG A 151 8.706 13.933 11.280 1.00 1.00 N ATOM 2346 NH2 ARG A 151 6.942 15.161 11.981 1.00 1.00 N ATOM 0 H ARG A 151 7.495 8.435 14.143 1.00 1.00 H new ATOM 0 HA ARG A 151 5.926 10.012 15.869 1.00 1.00 H new ATOM 0 HB2 ARG A 151 6.552 10.161 12.887 1.00 1.00 H new ATOM 0 HB3 ARG A 151 5.710 11.431 13.752 1.00 1.00 H new ATOM 0 HG2 ARG A 151 7.624 11.724 15.287 1.00 1.00 H new ATOM 0 HG3 ARG A 151 8.453 10.355 14.573 1.00 1.00 H new ATOM 0 HD2 ARG A 151 9.353 12.404 13.574 1.00 1.00 H new ATOM 0 HD3 ARG A 151 8.448 11.542 12.345 1.00 1.00 H new ATOM 0 HE ARG A 151 6.714 13.408 13.730 1.00 1.00 H new ATOM 0 HH11 ARG A 151 9.311 13.118 11.382 1.00 1.00 H new ATOM 0 HH12 ARG A 151 8.873 14.601 10.527 1.00 1.00 H new ATOM 0 HH21 ARG A 151 6.169 15.306 12.630 1.00 1.00 H new ATOM 0 HH22 ARG A 151 7.108 15.829 11.228 1.00 1.00 H new ATOM 2360 N HIS A 152 4.369 8.358 13.488 1.00 1.00 N ATOM 2361 CA HIS A 152 3.082 7.888 13.026 1.00 1.00 C ATOM 2362 C HIS A 152 2.581 6.795 13.957 1.00 1.00 C ATOM 2363 O HIS A 152 3.360 5.992 14.473 1.00 1.00 O ATOM 2364 CB HIS A 152 3.203 7.348 11.598 1.00 1.00 C ATOM 2365 CG HIS A 152 3.501 8.484 10.653 1.00 1.00 C ATOM 2366 ND1 HIS A 152 2.496 9.239 10.072 1.00 1.00 N ATOM 2367 CD2 HIS A 152 4.682 9.000 10.175 1.00 1.00 C ATOM 2368 CE1 HIS A 152 3.081 10.161 9.285 1.00 1.00 C ATOM 2369 NE2 HIS A 152 4.413 10.059 9.311 1.00 1.00 N ATOM 0 H HIS A 152 5.165 7.971 12.981 1.00 1.00 H new ATOM 0 HA HIS A 152 2.373 8.716 13.027 1.00 1.00 H new ATOM 0 HB2 HIS A 152 3.995 6.601 11.546 1.00 1.00 H new ATOM 0 HB3 HIS A 152 2.277 6.852 11.306 1.00 1.00 H new ATOM 0 HD2 HIS A 152 5.668 8.640 10.430 1.00 1.00 H new ATOM 0 HE1 HIS A 152 2.540 10.893 8.704 1.00 1.00 H new ATOM 0 HE2 HIS A 152 5.088 10.633 8.806 1.00 1.00 H new ATOM 2377 N THR A 153 1.274 6.757 14.146 1.00 1.00 N ATOM 2378 CA THR A 153 0.650 5.746 14.992 1.00 1.00 C ATOM 2379 C THR A 153 -0.622 5.248 14.317 1.00 1.00 C ATOM 2380 O THR A 153 -1.466 6.039 13.894 1.00 1.00 O ATOM 2381 CB THR A 153 0.334 6.327 16.381 1.00 1.00 C ATOM 2382 OG1 THR A 153 1.528 6.374 17.152 1.00 1.00 O ATOM 2383 CG2 THR A 153 -0.697 5.448 17.105 1.00 1.00 C ATOM 0 H THR A 153 0.619 7.416 13.725 1.00 1.00 H new ATOM 0 HA THR A 153 1.337 4.911 15.127 1.00 1.00 H new ATOM 0 HB THR A 153 -0.075 7.330 16.260 1.00 1.00 H new ATOM 0 HG1 THR A 153 1.331 6.745 18.037 1.00 1.00 H new ATOM 0 HG21 THR A 153 -0.911 5.871 18.086 1.00 1.00 H new ATOM 0 HG22 THR A 153 -1.615 5.407 16.519 1.00 1.00 H new ATOM 0 HG23 THR A 153 -0.297 4.441 17.224 1.00 1.00 H new ATOM 2391 N CYS A 154 -0.753 3.933 14.223 1.00 1.00 N ATOM 2392 CA CYS A 154 -1.921 3.329 13.606 1.00 1.00 C ATOM 2393 C CYS A 154 -2.963 3.026 14.668 1.00 1.00 C ATOM 2394 O CYS A 154 -2.755 3.327 15.846 1.00 1.00 O ATOM 2395 CB CYS A 154 -1.515 2.041 12.893 1.00 1.00 C ATOM 2396 SG CYS A 154 -0.835 0.874 14.096 1.00 1.00 S ATOM 0 H CYS A 154 -0.063 3.265 14.567 1.00 1.00 H new ATOM 0 HA CYS A 154 -2.345 4.022 12.879 1.00 1.00 H new ATOM 0 HB2 CYS A 154 -2.378 1.602 12.393 1.00 1.00 H new ATOM 0 HB3 CYS A 154 -0.775 2.257 12.122 1.00 1.00 H new ATOM 0 HG CYS A 154 -0.491 -0.223 13.490 1.00 1.00 H new