USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 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 61 GLN : amide:sc= -4.12! C(o=-3.7!,f=-5.9!) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.467 K(o=-3.7,f=-13!) USER MOD Set 2.1: A 9 SER OG : rot 86:sc= 0.0557 USER MOD Set 2.2: A 35 TYR OH : rot 3:sc= 0.319 USER MOD Single : A 1 MET CE :methyl 171:sc= -0.384 (180deg=-0.386) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.199 (180deg=0.054) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 THR OG1 : rot 141:sc= 1.29 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.122 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 1.62 (180deg=0.978) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 58:sc= 1.32 USER MOD Single : A 26 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 33 TYR OH : rot 153:sc= 0.925 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -164:sc= 0.634 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.17 (180deg=1.16) USER MOD Single : A 49 GLN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD Single : A 50 GLN : amide:sc= 1.1 K(o=1.1,f=-0.00023) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= 1.06 (180deg=0.306) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 2.03 (180deg=1.85) USER MOD Single : A 58 THR OG1 : rot 153:sc= 1.2 USER MOD Single : A 66 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.19) USER MOD Single : A 67 GLN :FLIP amide:sc= -1.23 F(o=-2.1!,f=-1.2) USER MOD Single : A 72 TYR OH : rot 110:sc= 0 USER MOD Single : A 73 THR OG1 : rot -170:sc= 1.22 USER MOD Single : A 80 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.231) USER MOD Single : A 82 ASN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : B 145 SER OG : rot 180:sc= 0 USER MOD Single : B 149 LYS NZ :NH3+ -174:sc= 1.05 (180deg=0.916) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.535 -15.628 -2.258 1.00 1.00 N ATOM 2 CA MET A 1 13.694 -14.667 -1.506 1.00 1.00 C ATOM 3 C MET A 1 14.552 -13.661 -0.738 1.00 1.00 C ATOM 4 O MET A 1 14.947 -13.916 0.400 1.00 1.00 O ATOM 5 CB MET A 1 12.637 -15.348 -0.611 1.00 1.00 C ATOM 6 CG MET A 1 11.470 -15.948 -1.420 1.00 1.00 C ATOM 7 SD MET A 1 9.807 -15.340 -1.026 1.00 1.00 S ATOM 8 CE MET A 1 9.938 -13.639 -1.613 1.00 1.00 C ATOM 0 H1 MET A 1 14.010 -16.515 -2.395 1.00 1.00 H new ATOM 0 H2 MET A 1 14.780 -15.224 -3.185 1.00 1.00 H new ATOM 0 H3 MET A 1 15.406 -15.820 -1.723 1.00 1.00 H new ATOM 0 HA MET A 1 13.121 -14.110 -2.248 1.00 1.00 H new ATOM 0 HB2 MET A 1 13.114 -16.137 -0.029 1.00 1.00 H new ATOM 0 HB3 MET A 1 12.245 -14.620 0.099 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.658 -15.762 -2.477 1.00 1.00 H new ATOM 0 HG3 MET A 1 11.479 -17.029 -1.280 1.00 1.00 H new ATOM 0 HE1 MET A 1 8.954 -13.170 -1.593 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.618 -13.083 -0.968 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.321 -13.635 -2.634 1.00 1.00 H new ATOM 20 N GLN A 2 14.823 -12.510 -1.371 1.00 1.00 N ATOM 21 CA GLN A 2 15.485 -11.310 -0.809 1.00 1.00 C ATOM 22 C GLN A 2 14.572 -10.065 -0.843 1.00 1.00 C ATOM 23 O GLN A 2 14.261 -9.562 -1.920 1.00 1.00 O ATOM 24 CB GLN A 2 16.833 -11.003 -1.510 1.00 1.00 C ATOM 25 CG GLN A 2 18.059 -11.290 -0.626 1.00 1.00 C ATOM 26 CD GLN A 2 19.299 -10.549 -1.128 1.00 1.00 C ATOM 27 OE1 GLN A 2 19.759 -10.719 -2.249 1.00 1.00 O ATOM 28 NE2 GLN A 2 19.871 -9.658 -0.358 1.00 1.00 N ATOM 0 H GLN A 2 14.572 -12.378 -2.351 1.00 1.00 H new ATOM 0 HA GLN A 2 15.691 -11.547 0.235 1.00 1.00 H new ATOM 0 HB2 GLN A 2 16.904 -11.597 -2.421 1.00 1.00 H new ATOM 0 HB3 GLN A 2 16.848 -9.955 -1.810 1.00 1.00 H new ATOM 0 HG2 GLN A 2 17.846 -10.991 0.401 1.00 1.00 H new ATOM 0 HG3 GLN A 2 18.256 -12.362 -0.612 1.00 1.00 H new ATOM 0 HE21 GLN A 2 19.513 -9.491 0.582 1.00 1.00 H new ATOM 0 HE22 GLN A 2 20.675 -9.130 -0.698 1.00 1.00 H new ATOM 37 N THR A 3 14.194 -9.519 0.313 1.00 1.00 N ATOM 38 CA THR A 3 13.278 -8.367 0.483 1.00 1.00 C ATOM 39 C THR A 3 14.060 -7.149 0.990 1.00 1.00 C ATOM 40 O THR A 3 14.661 -7.195 2.065 1.00 1.00 O ATOM 41 CB THR A 3 12.093 -8.700 1.410 1.00 1.00 C ATOM 42 OG1 THR A 3 11.337 -9.739 0.839 1.00 1.00 O ATOM 43 CG2 THR A 3 11.102 -7.547 1.574 1.00 1.00 C ATOM 0 H THR A 3 14.529 -9.879 1.207 1.00 1.00 H new ATOM 0 HA THR A 3 12.850 -8.129 -0.491 1.00 1.00 H new ATOM 0 HB THR A 3 12.539 -8.947 2.373 1.00 1.00 H new ATOM 0 HG1 THR A 3 11.042 -10.354 1.543 1.00 1.00 H new ATOM 0 HG21 THR A 3 10.295 -7.853 2.239 1.00 1.00 H new ATOM 0 HG22 THR A 3 11.615 -6.684 1.999 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.689 -7.281 0.601 1.00 1.00 H new ATOM 51 N VAL A 4 14.108 -6.078 0.196 1.00 1.00 N ATOM 52 CA VAL A 4 14.908 -4.842 0.375 1.00 1.00 C ATOM 53 C VAL A 4 13.963 -3.641 0.514 1.00 1.00 C ATOM 54 O VAL A 4 13.129 -3.382 -0.358 1.00 1.00 O ATOM 55 CB VAL A 4 15.928 -4.623 -0.774 1.00 1.00 C ATOM 56 CG1 VAL A 4 16.887 -3.451 -0.483 1.00 1.00 C ATOM 57 CG2 VAL A 4 16.804 -5.862 -1.036 1.00 1.00 C ATOM 0 H VAL A 4 13.550 -6.038 -0.657 1.00 1.00 H new ATOM 0 HA VAL A 4 15.497 -4.949 1.286 1.00 1.00 H new ATOM 0 HB VAL A 4 15.313 -4.409 -1.648 1.00 1.00 H new ATOM 0 HG11 VAL A 4 17.583 -3.335 -1.314 1.00 1.00 H new ATOM 0 HG12 VAL A 4 16.313 -2.533 -0.360 1.00 1.00 H new ATOM 0 HG13 VAL A 4 17.445 -3.655 0.431 1.00 1.00 H new ATOM 0 HG21 VAL A 4 17.498 -5.651 -1.849 1.00 1.00 H new ATOM 0 HG22 VAL A 4 17.365 -6.108 -0.135 1.00 1.00 H new ATOM 0 HG23 VAL A 4 16.169 -6.705 -1.310 1.00 1.00 H new ATOM 67 N ILE A 5 14.062 -2.929 1.639 1.00 1.00 N ATOM 68 CA ILE A 5 13.154 -1.839 2.057 1.00 1.00 C ATOM 69 C ILE A 5 13.836 -0.467 1.970 1.00 1.00 C ATOM 70 O ILE A 5 14.958 -0.311 2.444 1.00 1.00 O ATOM 71 CB ILE A 5 12.629 -2.104 3.494 1.00 1.00 C ATOM 72 CG1 ILE A 5 11.969 -3.507 3.670 1.00 1.00 C ATOM 73 CG2 ILE A 5 11.619 -1.024 3.909 1.00 1.00 C ATOM 74 CD1 ILE A 5 12.867 -4.483 4.431 1.00 1.00 C ATOM 0 H ILE A 5 14.805 -3.097 2.317 1.00 1.00 H new ATOM 0 HA ILE A 5 12.309 -1.823 1.369 1.00 1.00 H new ATOM 0 HB ILE A 5 13.509 -2.074 4.137 1.00 1.00 H new ATOM 0 HG12 ILE A 5 11.024 -3.397 4.202 1.00 1.00 H new ATOM 0 HG13 ILE A 5 11.736 -3.921 2.689 1.00 1.00 H new ATOM 0 HG21 ILE A 5 11.263 -1.228 4.919 1.00 1.00 H new ATOM 0 HG22 ILE A 5 12.101 -0.047 3.884 1.00 1.00 H new ATOM 0 HG23 ILE A 5 10.775 -1.030 3.219 1.00 1.00 H new ATOM 0 HD11 ILE A 5 12.361 -5.444 4.526 1.00 1.00 H new ATOM 0 HD12 ILE A 5 13.802 -4.617 3.887 1.00 1.00 H new ATOM 0 HD13 ILE A 5 13.079 -4.084 5.423 1.00 1.00 H new ATOM 86 N PHE A 6 13.141 0.547 1.442 1.00 1.00 N ATOM 87 CA PHE A 6 13.694 1.878 1.139 1.00 1.00 C ATOM 88 C PHE A 6 13.038 2.996 1.987 1.00 1.00 C ATOM 89 O PHE A 6 11.854 3.291 1.829 1.00 1.00 O ATOM 90 CB PHE A 6 13.634 2.111 -0.387 1.00 1.00 C ATOM 91 CG PHE A 6 14.501 1.148 -1.201 1.00 1.00 C ATOM 92 CD1 PHE A 6 14.062 -0.176 -1.445 1.00 1.00 C ATOM 93 CD2 PHE A 6 15.772 1.545 -1.686 1.00 1.00 C ATOM 94 CE1 PHE A 6 14.878 -1.085 -2.147 1.00 1.00 C ATOM 95 CE2 PHE A 6 16.582 0.640 -2.407 1.00 1.00 C ATOM 96 CZ PHE A 6 16.134 -0.678 -2.632 1.00 1.00 C ATOM 0 H PHE A 6 12.152 0.465 1.206 1.00 1.00 H new ATOM 0 HA PHE A 6 14.743 1.917 1.433 1.00 1.00 H new ATOM 0 HB2 PHE A 6 12.599 2.019 -0.717 1.00 1.00 H new ATOM 0 HB3 PHE A 6 13.947 3.133 -0.600 1.00 1.00 H new ATOM 0 HD1 PHE A 6 13.092 -0.492 -1.090 1.00 1.00 H new ATOM 0 HD2 PHE A 6 16.125 2.549 -1.503 1.00 1.00 H new ATOM 0 HE1 PHE A 6 14.538 -2.097 -2.313 1.00 1.00 H new ATOM 0 HE2 PHE A 6 17.543 0.957 -2.785 1.00 1.00 H new ATOM 0 HZ PHE A 6 16.755 -1.374 -3.176 1.00 1.00 H new ATOM 106 N GLY A 7 13.802 3.600 2.916 1.00 1.00 N ATOM 107 CA GLY A 7 13.429 4.795 3.715 1.00 1.00 C ATOM 108 C GLY A 7 12.747 4.672 5.090 1.00 1.00 C ATOM 109 O GLY A 7 12.157 5.663 5.531 1.00 1.00 O ATOM 0 H GLY A 7 14.736 3.259 3.144 1.00 1.00 H new ATOM 0 HA2 GLY A 7 14.342 5.370 3.867 1.00 1.00 H new ATOM 0 HA3 GLY A 7 12.772 5.399 3.090 1.00 1.00 H new ATOM 113 N ARG A 8 12.899 3.555 5.815 1.00 1.00 N ATOM 114 CA ARG A 8 12.189 3.203 7.073 1.00 1.00 C ATOM 115 C ARG A 8 12.256 4.290 8.159 1.00 1.00 C ATOM 116 O ARG A 8 11.216 4.731 8.632 1.00 1.00 O ATOM 117 CB ARG A 8 12.748 1.861 7.604 1.00 1.00 C ATOM 118 CG ARG A 8 12.032 1.319 8.859 1.00 1.00 C ATOM 119 CD ARG A 8 12.932 1.124 10.095 1.00 1.00 C ATOM 120 NE ARG A 8 12.245 0.347 11.158 1.00 1.00 N ATOM 121 CZ ARG A 8 12.732 -0.048 12.313 1.00 1.00 C ATOM 122 NH1 ARG A 8 13.883 0.288 12.764 1.00 1.00 N ATOM 123 NH2 ARG A 8 12.086 -0.859 13.077 1.00 1.00 N ATOM 0 H ARG A 8 13.555 2.827 5.532 1.00 1.00 H new ATOM 0 HA ARG A 8 11.131 3.111 6.829 1.00 1.00 H new ATOM 0 HB2 ARG A 8 12.680 1.115 6.812 1.00 1.00 H new ATOM 0 HB3 ARG A 8 13.806 1.988 7.832 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.225 2.003 9.121 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.571 0.363 8.610 1.00 1.00 H new ATOM 0 HD2 ARG A 8 13.847 0.609 9.801 1.00 1.00 H new ATOM 0 HD3 ARG A 8 13.226 2.097 10.488 1.00 1.00 H new ATOM 0 HE ARG A 8 11.277 0.088 10.968 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.486 0.901 12.216 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.196 -0.058 13.671 1.00 1.00 H new ATOM 0 HH21 ARG A 8 11.173 -1.211 12.791 1.00 1.00 H new ATOM 0 HH22 ARG A 8 12.488 -1.149 13.968 1.00 1.00 H new ATOM 137 N SER A 9 13.454 4.778 8.489 1.00 1.00 N ATOM 138 CA SER A 9 13.720 5.796 9.539 1.00 1.00 C ATOM 139 C SER A 9 13.105 7.199 9.302 1.00 1.00 C ATOM 140 O SER A 9 13.255 8.073 10.158 1.00 1.00 O ATOM 141 CB SER A 9 15.233 5.935 9.777 1.00 1.00 C ATOM 142 OG SER A 9 15.792 4.683 10.125 1.00 1.00 O ATOM 0 H SER A 9 14.307 4.471 8.021 1.00 1.00 H new ATOM 0 HA SER A 9 13.210 5.407 10.420 1.00 1.00 H new ATOM 0 HB2 SER A 9 15.716 6.319 8.878 1.00 1.00 H new ATOM 0 HB3 SER A 9 15.418 6.657 10.572 1.00 1.00 H new ATOM 0 HG SER A 9 16.013 4.185 9.310 1.00 1.00 H new ATOM 148 N GLY A 10 12.382 7.438 8.193 1.00 1.00 N ATOM 149 CA GLY A 10 11.651 8.685 7.883 1.00 1.00 C ATOM 150 C GLY A 10 10.131 8.715 8.151 1.00 1.00 C ATOM 151 O GLY A 10 9.559 9.806 8.122 1.00 1.00 O ATOM 0 H GLY A 10 12.286 6.740 7.456 1.00 1.00 H new ATOM 0 HA2 GLY A 10 12.108 9.492 8.456 1.00 1.00 H new ATOM 0 HA3 GLY A 10 11.810 8.913 6.829 1.00 1.00 H new ATOM 155 N CYS A 11 9.464 7.572 8.392 1.00 1.00 N ATOM 156 CA CYS A 11 7.990 7.446 8.516 1.00 1.00 C ATOM 157 C CYS A 11 7.439 6.102 9.092 1.00 1.00 C ATOM 158 O CYS A 11 7.890 5.023 8.692 1.00 1.00 O ATOM 159 CB CYS A 11 7.344 7.813 7.166 1.00 1.00 C ATOM 160 SG CYS A 11 8.007 6.917 5.736 1.00 1.00 S ATOM 0 H CYS A 11 9.945 6.680 8.510 1.00 1.00 H new ATOM 0 HA CYS A 11 7.699 8.152 9.293 1.00 1.00 H new ATOM 0 HB2 CYS A 11 6.272 7.625 7.229 1.00 1.00 H new ATOM 0 HB3 CYS A 11 7.471 8.882 6.997 1.00 1.00 H new ATOM 165 N PRO A 12 6.398 6.130 9.964 1.00 1.00 N ATOM 166 CA PRO A 12 5.882 4.965 10.709 1.00 1.00 C ATOM 167 C PRO A 12 5.212 3.869 9.855 1.00 1.00 C ATOM 168 O PRO A 12 5.377 2.689 10.175 1.00 1.00 O ATOM 169 CB PRO A 12 4.916 5.537 11.758 1.00 1.00 C ATOM 170 CG PRO A 12 4.399 6.811 11.092 1.00 1.00 C ATOM 171 CD PRO A 12 5.642 7.313 10.359 1.00 1.00 C ATOM 0 HA PRO A 12 6.724 4.433 11.152 1.00 1.00 H new ATOM 0 HB2 PRO A 12 4.107 4.842 11.982 1.00 1.00 H new ATOM 0 HB3 PRO A 12 5.423 5.751 12.699 1.00 1.00 H new ATOM 0 HG2 PRO A 12 3.576 6.608 10.407 1.00 1.00 H new ATOM 0 HG3 PRO A 12 4.036 7.534 11.822 1.00 1.00 H new ATOM 0 HD2 PRO A 12 5.365 7.905 9.487 1.00 1.00 H new ATOM 0 HD3 PRO A 12 6.239 7.957 11.005 1.00 1.00 H new ATOM 179 N TYR A 13 4.528 4.197 8.741 1.00 1.00 N ATOM 180 CA TYR A 13 4.025 3.139 7.825 1.00 1.00 C ATOM 181 C TYR A 13 5.187 2.380 7.148 1.00 1.00 C ATOM 182 O TYR A 13 5.135 1.157 7.006 1.00 1.00 O ATOM 183 CB TYR A 13 3.066 3.670 6.758 1.00 1.00 C ATOM 184 CG TYR A 13 1.643 4.010 7.186 1.00 1.00 C ATOM 185 CD1 TYR A 13 1.399 5.073 8.085 1.00 1.00 C ATOM 186 CD2 TYR A 13 0.546 3.325 6.601 1.00 1.00 C ATOM 187 CE1 TYR A 13 0.077 5.483 8.356 1.00 1.00 C ATOM 188 CE2 TYR A 13 -0.780 3.728 6.879 1.00 1.00 C ATOM 189 CZ TYR A 13 -1.011 4.824 7.740 1.00 1.00 C ATOM 190 OH TYR A 13 -2.263 5.302 7.931 1.00 1.00 O ATOM 0 H TYR A 13 4.313 5.152 8.455 1.00 1.00 H new ATOM 0 HA TYR A 13 3.462 2.451 8.456 1.00 1.00 H new ATOM 0 HB2 TYR A 13 3.509 4.567 6.326 1.00 1.00 H new ATOM 0 HB3 TYR A 13 3.008 2.928 5.961 1.00 1.00 H new ATOM 0 HD1 TYR A 13 2.227 5.573 8.566 1.00 1.00 H new ATOM 0 HD2 TYR A 13 0.726 2.491 5.939 1.00 1.00 H new ATOM 0 HE1 TYR A 13 -0.104 6.302 9.036 1.00 1.00 H new ATOM 0 HE2 TYR A 13 -1.612 3.201 6.436 1.00 1.00 H new ATOM 0 HH TYR A 13 -2.904 4.744 7.443 1.00 1.00 H new ATOM 200 N SER A 14 6.256 3.101 6.767 1.00 1.00 N ATOM 201 CA SER A 14 7.522 2.531 6.270 1.00 1.00 C ATOM 202 C SER A 14 8.169 1.600 7.304 1.00 1.00 C ATOM 203 O SER A 14 8.655 0.524 6.941 1.00 1.00 O ATOM 204 CB SER A 14 8.505 3.635 5.881 1.00 1.00 C ATOM 205 OG SER A 14 9.497 3.156 4.997 1.00 1.00 O ATOM 0 H SER A 14 6.264 4.121 6.797 1.00 1.00 H new ATOM 0 HA SER A 14 7.281 1.943 5.384 1.00 1.00 H new ATOM 0 HB2 SER A 14 7.964 4.457 5.412 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.978 4.035 6.778 1.00 1.00 H new ATOM 0 HG SER A 14 10.109 3.886 4.766 1.00 1.00 H new ATOM 211 N VAL A 15 8.130 1.976 8.596 1.00 1.00 N ATOM 212 CA VAL A 15 8.550 1.104 9.712 1.00 1.00 C ATOM 213 C VAL A 15 7.703 -0.163 9.767 1.00 1.00 C ATOM 214 O VAL A 15 8.311 -1.224 9.670 1.00 1.00 O ATOM 215 CB VAL A 15 8.544 1.798 11.094 1.00 1.00 C ATOM 216 CG1 VAL A 15 8.855 0.775 12.210 1.00 1.00 C ATOM 217 CG2 VAL A 15 9.543 2.968 11.123 1.00 1.00 C ATOM 0 H VAL A 15 7.806 2.895 8.897 1.00 1.00 H new ATOM 0 HA VAL A 15 9.588 0.848 9.498 1.00 1.00 H new ATOM 0 HB VAL A 15 7.549 2.206 11.272 1.00 1.00 H new ATOM 0 HG11 VAL A 15 8.847 1.278 13.177 1.00 1.00 H new ATOM 0 HG12 VAL A 15 8.100 -0.011 12.204 1.00 1.00 H new ATOM 0 HG13 VAL A 15 9.837 0.336 12.037 1.00 1.00 H new ATOM 0 HG21 VAL A 15 9.521 3.441 12.105 1.00 1.00 H new ATOM 0 HG22 VAL A 15 10.547 2.594 10.922 1.00 1.00 H new ATOM 0 HG23 VAL A 15 9.269 3.699 10.362 1.00 1.00 H new ATOM 227 N ARG A 16 6.357 -0.087 9.784 1.00 1.00 N ATOM 228 CA ARG A 16 5.481 -1.287 9.793 1.00 1.00 C ATOM 229 C ARG A 16 5.700 -2.188 8.559 1.00 1.00 C ATOM 230 O ARG A 16 5.926 -3.379 8.726 1.00 1.00 O ATOM 231 CB ARG A 16 3.998 -0.910 10.019 1.00 1.00 C ATOM 232 CG ARG A 16 3.710 -0.274 11.407 1.00 1.00 C ATOM 233 CD ARG A 16 2.436 -0.780 12.120 1.00 1.00 C ATOM 234 NE ARG A 16 1.163 -0.344 11.497 1.00 1.00 N ATOM 235 CZ ARG A 16 -0.063 -0.668 11.850 1.00 1.00 C ATOM 236 NH1 ARG A 16 -0.378 -1.446 12.828 1.00 1.00 N ATOM 237 NH2 ARG A 16 -1.059 -0.202 11.197 1.00 1.00 N ATOM 0 H ARG A 16 5.846 0.796 9.792 1.00 1.00 H new ATOM 0 HA ARG A 16 5.776 -1.894 10.649 1.00 1.00 H new ATOM 0 HB2 ARG A 16 3.689 -0.213 9.240 1.00 1.00 H new ATOM 0 HB3 ARG A 16 3.386 -1.805 9.907 1.00 1.00 H new ATOM 0 HG2 ARG A 16 4.566 -0.458 12.056 1.00 1.00 H new ATOM 0 HG3 ARG A 16 3.631 0.806 11.283 1.00 1.00 H new ATOM 0 HD2 ARG A 16 2.458 -1.869 12.145 1.00 1.00 H new ATOM 0 HD3 ARG A 16 2.455 -0.437 13.155 1.00 1.00 H new ATOM 0 HE ARG A 16 1.248 0.284 10.697 1.00 1.00 H new ATOM 0 HH11 ARG A 16 0.353 -1.866 13.401 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -1.359 -1.641 13.029 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -0.903 0.420 10.404 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -2.010 -0.452 11.469 1.00 1.00 H new ATOM 251 N ALA A 17 5.847 -1.626 7.353 1.00 1.00 N ATOM 252 CA ALA A 17 6.220 -2.345 6.118 1.00 1.00 C ATOM 253 C ALA A 17 7.582 -3.092 6.213 1.00 1.00 C ATOM 254 O ALA A 17 7.681 -4.241 5.776 1.00 1.00 O ATOM 255 CB ALA A 17 6.210 -1.345 4.949 1.00 1.00 C ATOM 0 H ALA A 17 5.706 -0.627 7.200 1.00 1.00 H new ATOM 0 HA ALA A 17 5.483 -3.131 5.954 1.00 1.00 H new ATOM 0 HB1 ALA A 17 6.484 -1.859 4.028 1.00 1.00 H new ATOM 0 HB2 ALA A 17 5.213 -0.918 4.844 1.00 1.00 H new ATOM 0 HB3 ALA A 17 6.927 -0.548 5.146 1.00 1.00 H new ATOM 261 N LYS A 18 8.629 -2.458 6.784 1.00 1.00 N ATOM 262 CA LYS A 18 9.939 -3.081 7.103 1.00 1.00 C ATOM 263 C LYS A 18 9.807 -4.196 8.151 1.00 1.00 C ATOM 264 O LYS A 18 10.296 -5.306 7.960 1.00 1.00 O ATOM 265 CB LYS A 18 10.958 -2.034 7.597 1.00 1.00 C ATOM 266 CG LYS A 18 12.408 -2.585 7.649 1.00 1.00 C ATOM 267 CD LYS A 18 13.033 -2.591 9.060 1.00 1.00 C ATOM 268 CE LYS A 18 12.565 -3.765 9.942 1.00 1.00 C ATOM 269 NZ LYS A 18 12.582 -3.457 11.392 1.00 1.00 N ATOM 0 H LYS A 18 8.589 -1.473 7.044 1.00 1.00 H new ATOM 0 HA LYS A 18 10.301 -3.520 6.174 1.00 1.00 H new ATOM 0 HB2 LYS A 18 10.928 -1.165 6.939 1.00 1.00 H new ATOM 0 HB3 LYS A 18 10.668 -1.692 8.591 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.412 -3.602 7.258 1.00 1.00 H new ATOM 0 HG3 LYS A 18 13.036 -1.987 6.988 1.00 1.00 H new ATOM 0 HD2 LYS A 18 14.118 -2.629 8.966 1.00 1.00 H new ATOM 0 HD3 LYS A 18 12.789 -1.653 9.560 1.00 1.00 H new ATOM 0 HE2 LYS A 18 11.554 -4.048 9.650 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.204 -4.628 9.754 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 12.422 -4.330 11.934 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.505 -3.053 11.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 11.831 -2.771 11.610 1.00 1.00 H new ATOM 283 N ASP A 19 9.206 -3.858 9.292 1.00 1.00 N ATOM 284 CA ASP A 19 8.864 -4.719 10.430 1.00 1.00 C ATOM 285 C ASP A 19 8.108 -6.001 10.014 1.00 1.00 C ATOM 286 O ASP A 19 8.378 -7.066 10.567 1.00 1.00 O ATOM 287 CB ASP A 19 8.096 -3.874 11.469 1.00 1.00 C ATOM 288 CG ASP A 19 9.017 -3.244 12.524 1.00 1.00 C ATOM 289 OD1 ASP A 19 10.061 -2.625 12.182 1.00 1.00 O ATOM 290 OD2 ASP A 19 8.674 -3.386 13.721 1.00 1.00 O ATOM 0 H ASP A 19 8.921 -2.893 9.460 1.00 1.00 H new ATOM 0 HA ASP A 19 9.783 -5.090 10.883 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.548 -3.085 10.955 1.00 1.00 H new ATOM 0 HB3 ASP A 19 7.358 -4.502 11.967 1.00 1.00 H new ATOM 295 N LEU A 20 7.204 -5.922 9.031 1.00 1.00 N ATOM 296 CA LEU A 20 6.517 -7.051 8.383 1.00 1.00 C ATOM 297 C LEU A 20 7.513 -8.038 7.711 1.00 1.00 C ATOM 298 O LEU A 20 7.469 -9.236 7.991 1.00 1.00 O ATOM 299 CB LEU A 20 5.462 -6.501 7.383 1.00 1.00 C ATOM 300 CG LEU A 20 4.002 -6.457 7.892 1.00 1.00 C ATOM 301 CD1 LEU A 20 3.798 -5.706 9.216 1.00 1.00 C ATOM 302 CD2 LEU A 20 3.116 -5.814 6.812 1.00 1.00 C ATOM 0 H LEU A 20 6.915 -5.023 8.644 1.00 1.00 H new ATOM 0 HA LEU A 20 6.002 -7.635 9.146 1.00 1.00 H new ATOM 0 HB2 LEU A 20 5.756 -5.492 7.095 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.493 -7.112 6.481 1.00 1.00 H new ATOM 0 HG LEU A 20 3.725 -7.492 8.091 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.743 -5.730 9.489 1.00 1.00 H new ATOM 0 HD12 LEU A 20 4.387 -6.183 9.999 1.00 1.00 H new ATOM 0 HD13 LEU A 20 4.119 -4.671 9.100 1.00 1.00 H new ATOM 0 HD21 LEU A 20 2.084 -5.778 7.162 1.00 1.00 H new ATOM 0 HD22 LEU A 20 3.466 -4.802 6.610 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.169 -6.406 5.898 1.00 1.00 H new ATOM 314 N ALA A 21 8.434 -7.554 6.861 1.00 1.00 N ATOM 315 CA ALA A 21 9.534 -8.346 6.280 1.00 1.00 C ATOM 316 C ALA A 21 10.503 -8.937 7.341 1.00 1.00 C ATOM 317 O ALA A 21 10.873 -10.109 7.248 1.00 1.00 O ATOM 318 CB ALA A 21 10.251 -7.496 5.220 1.00 1.00 C ATOM 0 H ALA A 21 8.436 -6.582 6.552 1.00 1.00 H new ATOM 0 HA ALA A 21 9.107 -9.227 5.800 1.00 1.00 H new ATOM 0 HB1 ALA A 21 11.067 -8.072 4.783 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.544 -7.217 4.438 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.651 -6.595 5.686 1.00 1.00 H new ATOM 324 N GLU A 22 10.897 -8.150 8.355 1.00 1.00 N ATOM 325 CA GLU A 22 11.680 -8.587 9.534 1.00 1.00 C ATOM 326 C GLU A 22 10.975 -9.705 10.346 1.00 1.00 C ATOM 327 O GLU A 22 11.626 -10.704 10.652 1.00 1.00 O ATOM 328 CB GLU A 22 12.062 -7.366 10.398 1.00 1.00 C ATOM 329 CG GLU A 22 13.071 -7.679 11.522 1.00 1.00 C ATOM 330 CD GLU A 22 13.604 -6.390 12.166 1.00 1.00 C ATOM 331 OE1 GLU A 22 12.860 -5.723 12.921 1.00 1.00 O ATOM 332 OE2 GLU A 22 14.727 -5.936 11.838 1.00 1.00 O ATOM 0 H GLU A 22 10.674 -7.155 8.382 1.00 1.00 H new ATOM 0 HA GLU A 22 12.602 -9.045 9.174 1.00 1.00 H new ATOM 0 HB2 GLU A 22 12.482 -6.595 9.752 1.00 1.00 H new ATOM 0 HB3 GLU A 22 11.157 -6.952 10.842 1.00 1.00 H new ATOM 0 HG2 GLU A 22 12.593 -8.297 12.282 1.00 1.00 H new ATOM 0 HG3 GLU A 22 13.902 -8.257 11.118 1.00 1.00 H new ATOM 339 N LYS A 23 9.662 -9.590 10.632 1.00 1.00 N ATOM 340 CA LYS A 23 8.757 -10.604 11.247 1.00 1.00 C ATOM 341 C LYS A 23 8.756 -11.934 10.470 1.00 1.00 C ATOM 342 O LYS A 23 8.961 -12.992 11.067 1.00 1.00 O ATOM 343 CB LYS A 23 7.330 -10.005 11.364 1.00 1.00 C ATOM 344 CG LYS A 23 6.224 -10.902 11.978 1.00 1.00 C ATOM 345 CD LYS A 23 4.832 -10.740 11.323 1.00 1.00 C ATOM 346 CE LYS A 23 4.207 -9.336 11.450 1.00 1.00 C ATOM 347 NZ LYS A 23 2.914 -9.254 10.717 1.00 1.00 N ATOM 0 H LYS A 23 9.162 -8.725 10.427 1.00 1.00 H new ATOM 0 HA LYS A 23 9.128 -10.844 12.243 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.395 -9.095 11.961 1.00 1.00 H new ATOM 0 HB3 LYS A 23 7.007 -9.709 10.366 1.00 1.00 H new ATOM 0 HG2 LYS A 23 6.532 -11.944 11.896 1.00 1.00 H new ATOM 0 HG3 LYS A 23 6.140 -10.677 13.041 1.00 1.00 H new ATOM 0 HD2 LYS A 23 4.915 -10.989 10.265 1.00 1.00 H new ATOM 0 HD3 LYS A 23 4.151 -11.465 11.769 1.00 1.00 H new ATOM 0 HE2 LYS A 23 4.047 -9.100 12.502 1.00 1.00 H new ATOM 0 HE3 LYS A 23 4.898 -8.590 11.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 2.517 -8.298 10.820 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 3.073 -9.456 9.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 2.248 -9.950 11.109 1.00 1.00 H new ATOM 361 N LEU A 24 8.567 -11.875 9.147 1.00 1.00 N ATOM 362 CA LEU A 24 8.635 -12.998 8.189 1.00 1.00 C ATOM 363 C LEU A 24 10.028 -13.691 8.183 1.00 1.00 C ATOM 364 O LEU A 24 10.125 -14.896 8.420 1.00 1.00 O ATOM 365 CB LEU A 24 8.191 -12.471 6.796 1.00 1.00 C ATOM 366 CG LEU A 24 7.406 -13.477 5.926 1.00 1.00 C ATOM 367 CD1 LEU A 24 6.930 -12.782 4.644 1.00 1.00 C ATOM 368 CD2 LEU A 24 8.218 -14.714 5.533 1.00 1.00 C ATOM 0 H LEU A 24 8.349 -10.993 8.683 1.00 1.00 H new ATOM 0 HA LEU A 24 7.952 -13.790 8.494 1.00 1.00 H new ATOM 0 HB2 LEU A 24 7.574 -11.584 6.942 1.00 1.00 H new ATOM 0 HB3 LEU A 24 9.078 -12.156 6.246 1.00 1.00 H new ATOM 0 HG LEU A 24 6.568 -13.818 6.534 1.00 1.00 H new ATOM 0 HD11 LEU A 24 6.376 -13.492 4.030 1.00 1.00 H new ATOM 0 HD12 LEU A 24 6.283 -11.944 4.903 1.00 1.00 H new ATOM 0 HD13 LEU A 24 7.792 -12.416 4.087 1.00 1.00 H new ATOM 0 HD21 LEU A 24 7.602 -15.375 4.923 1.00 1.00 H new ATOM 0 HD22 LEU A 24 9.095 -14.407 4.963 1.00 1.00 H new ATOM 0 HD23 LEU A 24 8.536 -15.242 6.432 1.00 1.00 H new ATOM 380 N SER A 25 11.113 -12.918 7.999 1.00 1.00 N ATOM 381 CA SER A 25 12.528 -13.360 8.104 1.00 1.00 C ATOM 382 C SER A 25 12.911 -13.947 9.485 1.00 1.00 C ATOM 383 O SER A 25 13.753 -14.842 9.584 1.00 1.00 O ATOM 384 CB SER A 25 13.462 -12.200 7.727 1.00 1.00 C ATOM 385 OG SER A 25 14.753 -12.676 7.408 1.00 1.00 O ATOM 0 H SER A 25 11.033 -11.929 7.764 1.00 1.00 H new ATOM 0 HA SER A 25 12.646 -14.184 7.400 1.00 1.00 H new ATOM 0 HB2 SER A 25 13.050 -11.657 6.876 1.00 1.00 H new ATOM 0 HB3 SER A 25 13.525 -11.494 8.555 1.00 1.00 H new ATOM 0 HG SER A 25 14.692 -13.316 6.668 1.00 1.00 H new ATOM 391 N ASN A 26 12.343 -13.420 10.578 1.00 1.00 N ATOM 392 CA ASN A 26 12.420 -13.932 11.956 1.00 1.00 C ATOM 393 C ASN A 26 11.695 -15.289 12.133 1.00 1.00 C ATOM 394 O ASN A 26 12.202 -16.156 12.842 1.00 1.00 O ATOM 395 CB ASN A 26 11.908 -12.831 12.911 1.00 1.00 C ATOM 396 CG ASN A 26 11.971 -13.101 14.405 1.00 1.00 C ATOM 397 OD1 ASN A 26 11.465 -12.319 15.185 1.00 1.00 O ATOM 398 ND2 ASN A 26 12.534 -14.168 14.910 1.00 1.00 N ATOM 0 H ASN A 26 11.781 -12.570 10.521 1.00 1.00 H new ATOM 0 HA ASN A 26 13.457 -14.156 12.204 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.477 -11.923 12.711 1.00 1.00 H new ATOM 0 HB3 ASN A 26 10.870 -12.620 12.653 1.00 1.00 H new ATOM 0 HD21 ASN A 26 12.535 -14.315 15.919 1.00 1.00 H new ATOM 0 HD22 ASN A 26 12.972 -14.853 14.294 1.00 1.00 H new ATOM 405 N GLU A 27 10.490 -15.444 11.569 1.00 1.00 N ATOM 406 CA GLU A 27 9.619 -16.636 11.648 1.00 1.00 C ATOM 407 C GLU A 27 10.234 -17.851 10.912 1.00 1.00 C ATOM 408 O GLU A 27 10.330 -18.930 11.500 1.00 1.00 O ATOM 409 CB GLU A 27 8.224 -16.275 11.074 1.00 1.00 C ATOM 410 CG GLU A 27 7.278 -17.455 10.795 1.00 1.00 C ATOM 411 CD GLU A 27 5.952 -16.997 10.172 1.00 1.00 C ATOM 412 OE1 GLU A 27 5.191 -16.247 10.832 1.00 1.00 O ATOM 413 OE2 GLU A 27 5.652 -17.409 9.023 1.00 1.00 O ATOM 0 H GLU A 27 10.068 -14.701 11.012 1.00 1.00 H new ATOM 0 HA GLU A 27 9.518 -16.931 12.692 1.00 1.00 H new ATOM 0 HB2 GLU A 27 7.731 -15.598 11.772 1.00 1.00 H new ATOM 0 HB3 GLU A 27 8.368 -15.724 10.144 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.768 -18.161 10.125 1.00 1.00 H new ATOM 0 HG3 GLU A 27 7.077 -17.986 11.726 1.00 1.00 H new ATOM 420 N ARG A 28 10.662 -17.674 9.649 1.00 1.00 N ATOM 421 CA ARG A 28 11.117 -18.745 8.724 1.00 1.00 C ATOM 422 C ARG A 28 12.631 -19.049 8.730 1.00 1.00 C ATOM 423 O ARG A 28 13.354 -18.692 9.661 1.00 1.00 O ATOM 424 CB ARG A 28 10.412 -18.567 7.353 1.00 1.00 C ATOM 425 CG ARG A 28 8.871 -18.650 7.542 1.00 1.00 C ATOM 426 CD ARG A 28 8.049 -19.130 6.343 1.00 1.00 C ATOM 427 NE ARG A 28 8.045 -18.174 5.216 1.00 1.00 N ATOM 428 CZ ARG A 28 8.891 -18.137 4.217 1.00 1.00 C ATOM 429 NH1 ARG A 28 9.816 -19.003 4.059 1.00 1.00 N ATOM 430 NH2 ARG A 28 8.827 -17.230 3.317 1.00 1.00 N ATOM 0 H ARG A 28 10.705 -16.749 9.222 1.00 1.00 H new ATOM 0 HA ARG A 28 10.785 -19.708 9.112 1.00 1.00 H new ATOM 0 HB2 ARG A 28 10.683 -17.606 6.916 1.00 1.00 H new ATOM 0 HB3 ARG A 28 10.745 -19.339 6.659 1.00 1.00 H new ATOM 0 HG2 ARG A 28 8.668 -19.316 8.381 1.00 1.00 H new ATOM 0 HG3 ARG A 28 8.511 -17.661 7.826 1.00 1.00 H new ATOM 0 HD2 ARG A 28 8.445 -20.085 5.999 1.00 1.00 H new ATOM 0 HD3 ARG A 28 7.022 -19.308 6.663 1.00 1.00 H new ATOM 0 HE ARG A 28 7.307 -17.470 5.216 1.00 1.00 H new ATOM 0 HH11 ARG A 28 9.920 -19.766 4.728 1.00 1.00 H new ATOM 0 HH12 ARG A 28 10.451 -18.932 3.264 1.00 1.00 H new ATOM 0 HH21 ARG A 28 8.104 -16.512 3.367 1.00 1.00 H new ATOM 0 HH22 ARG A 28 9.499 -17.225 2.550 1.00 1.00 H new ATOM 444 N ASP A 29 13.105 -19.780 7.721 1.00 1.00 N ATOM 445 CA ASP A 29 14.453 -20.361 7.577 1.00 1.00 C ATOM 446 C ASP A 29 15.213 -20.078 6.257 1.00 1.00 C ATOM 447 O ASP A 29 16.383 -20.444 6.130 1.00 1.00 O ATOM 448 CB ASP A 29 14.232 -21.890 7.710 1.00 1.00 C ATOM 449 CG ASP A 29 13.286 -22.449 6.623 1.00 1.00 C ATOM 450 OD1 ASP A 29 12.072 -22.130 6.632 1.00 1.00 O ATOM 451 OD2 ASP A 29 13.764 -23.171 5.714 1.00 1.00 O ATOM 0 H ASP A 29 12.517 -20.002 6.918 1.00 1.00 H new ATOM 0 HA ASP A 29 15.091 -19.899 8.331 1.00 1.00 H new ATOM 0 HB2 ASP A 29 15.194 -22.399 7.647 1.00 1.00 H new ATOM 0 HB3 ASP A 29 13.819 -22.110 8.694 1.00 1.00 H new ATOM 456 N ASP A 30 14.589 -19.419 5.278 1.00 1.00 N ATOM 457 CA ASP A 30 15.096 -19.230 3.891 1.00 1.00 C ATOM 458 C ASP A 30 15.019 -17.826 3.247 1.00 1.00 C ATOM 459 O ASP A 30 15.708 -17.497 2.279 1.00 1.00 O ATOM 460 CB ASP A 30 14.273 -20.204 3.040 1.00 1.00 C ATOM 461 CG ASP A 30 12.835 -19.827 2.669 1.00 1.00 C ATOM 462 OD1 ASP A 30 12.304 -18.822 3.176 1.00 1.00 O ATOM 463 OD2 ASP A 30 12.233 -20.484 1.786 1.00 1.00 O ATOM 0 H ASP A 30 13.680 -18.980 5.422 1.00 1.00 H new ATOM 0 HA ASP A 30 16.172 -19.399 3.937 1.00 1.00 H new ATOM 0 HB2 ASP A 30 14.819 -20.374 2.112 1.00 1.00 H new ATOM 0 HB3 ASP A 30 14.238 -21.156 3.569 1.00 1.00 H new ATOM 468 N PHE A 31 14.217 -16.998 3.882 1.00 1.00 N ATOM 469 CA PHE A 31 13.750 -15.661 3.484 1.00 1.00 C ATOM 470 C PHE A 31 14.606 -14.557 4.150 1.00 1.00 C ATOM 471 O PHE A 31 14.635 -14.380 5.373 1.00 1.00 O ATOM 472 CB PHE A 31 12.267 -15.528 3.910 1.00 1.00 C ATOM 473 CG PHE A 31 11.564 -14.234 3.523 1.00 1.00 C ATOM 474 CD1 PHE A 31 11.727 -13.068 4.308 1.00 1.00 C ATOM 475 CD2 PHE A 31 10.691 -14.201 2.411 1.00 1.00 C ATOM 476 CE1 PHE A 31 11.051 -11.876 3.971 1.00 1.00 C ATOM 477 CE2 PHE A 31 10.012 -13.013 2.073 1.00 1.00 C ATOM 478 CZ PHE A 31 10.200 -11.850 2.847 1.00 1.00 C ATOM 0 H PHE A 31 13.828 -17.261 4.787 1.00 1.00 H new ATOM 0 HA PHE A 31 13.846 -15.540 2.405 1.00 1.00 H new ATOM 0 HB2 PHE A 31 11.712 -16.361 3.478 1.00 1.00 H new ATOM 0 HB3 PHE A 31 12.212 -15.636 4.993 1.00 1.00 H new ATOM 0 HD1 PHE A 31 12.374 -13.091 5.172 1.00 1.00 H new ATOM 0 HD2 PHE A 31 10.544 -15.091 1.817 1.00 1.00 H new ATOM 0 HE1 PHE A 31 11.185 -10.988 4.571 1.00 1.00 H new ATOM 0 HE2 PHE A 31 9.348 -12.994 1.221 1.00 1.00 H new ATOM 0 HZ PHE A 31 9.691 -10.936 2.578 1.00 1.00 H new ATOM 488 N GLN A 32 15.314 -13.820 3.290 1.00 1.00 N ATOM 489 CA GLN A 32 16.352 -12.796 3.516 1.00 1.00 C ATOM 490 C GLN A 32 15.808 -11.349 3.434 1.00 1.00 C ATOM 491 O GLN A 32 15.015 -11.032 2.546 1.00 1.00 O ATOM 492 CB GLN A 32 17.488 -13.009 2.490 1.00 1.00 C ATOM 493 CG GLN A 32 18.205 -14.371 2.580 1.00 1.00 C ATOM 494 CD GLN A 32 19.000 -14.563 3.869 1.00 1.00 C ATOM 495 OE1 GLN A 32 19.759 -13.708 4.301 1.00 1.00 O ATOM 496 NE2 GLN A 32 18.885 -15.676 4.549 1.00 1.00 N ATOM 0 H GLN A 32 15.156 -13.939 2.289 1.00 1.00 H new ATOM 0 HA GLN A 32 16.726 -12.916 4.533 1.00 1.00 H new ATOM 0 HB2 GLN A 32 17.076 -12.899 1.487 1.00 1.00 H new ATOM 0 HB3 GLN A 32 18.227 -12.218 2.620 1.00 1.00 H new ATOM 0 HG2 GLN A 32 17.465 -15.167 2.498 1.00 1.00 H new ATOM 0 HG3 GLN A 32 18.879 -14.474 1.729 1.00 1.00 H new ATOM 0 HE21 GLN A 32 18.261 -16.413 4.220 1.00 1.00 H new ATOM 0 HE22 GLN A 32 19.419 -15.806 5.408 1.00 1.00 H new ATOM 505 N TYR A 33 16.149 -10.494 4.407 1.00 1.00 N ATOM 506 CA TYR A 33 15.687 -9.095 4.590 1.00 1.00 C ATOM 507 C TYR A 33 16.844 -8.046 4.646 1.00 1.00 C ATOM 508 O TYR A 33 17.843 -8.269 5.326 1.00 1.00 O ATOM 509 CB TYR A 33 14.701 -9.044 5.790 1.00 1.00 C ATOM 510 CG TYR A 33 14.930 -7.945 6.812 1.00 1.00 C ATOM 511 CD1 TYR A 33 14.703 -6.597 6.452 1.00 1.00 C ATOM 512 CD2 TYR A 33 15.409 -8.259 8.105 1.00 1.00 C ATOM 513 CE1 TYR A 33 14.946 -5.560 7.379 1.00 1.00 C ATOM 514 CE2 TYR A 33 15.637 -7.225 9.040 1.00 1.00 C ATOM 515 CZ TYR A 33 15.392 -5.879 8.681 1.00 1.00 C ATOM 516 OH TYR A 33 15.553 -4.897 9.593 1.00 1.00 O ATOM 0 H TYR A 33 16.799 -10.772 5.142 1.00 1.00 H new ATOM 0 HA TYR A 33 15.144 -8.785 3.698 1.00 1.00 H new ATOM 0 HB2 TYR A 33 13.690 -8.938 5.396 1.00 1.00 H new ATOM 0 HB3 TYR A 33 14.743 -10.003 6.306 1.00 1.00 H new ATOM 0 HD1 TYR A 33 14.342 -6.359 5.462 1.00 1.00 H new ATOM 0 HD2 TYR A 33 15.600 -9.287 8.377 1.00 1.00 H new ATOM 0 HE1 TYR A 33 14.792 -4.530 7.095 1.00 1.00 H new ATOM 0 HE2 TYR A 33 15.999 -7.462 10.030 1.00 1.00 H new ATOM 0 HH TYR A 33 15.437 -5.265 10.494 1.00 1.00 H new ATOM 526 N GLN A 34 16.723 -6.895 3.953 1.00 1.00 N ATOM 527 CA GLN A 34 17.655 -5.731 3.950 1.00 1.00 C ATOM 528 C GLN A 34 16.928 -4.359 4.110 1.00 1.00 C ATOM 529 O GLN A 34 15.829 -4.193 3.585 1.00 1.00 O ATOM 530 CB GLN A 34 18.436 -5.723 2.611 1.00 1.00 C ATOM 531 CG GLN A 34 19.837 -5.088 2.707 1.00 1.00 C ATOM 532 CD GLN A 34 20.442 -4.932 1.315 1.00 1.00 C ATOM 533 OE1 GLN A 34 20.894 -5.886 0.700 1.00 1.00 O ATOM 534 NE2 GLN A 34 20.418 -3.767 0.723 1.00 1.00 N ATOM 0 H GLN A 34 15.924 -6.736 3.339 1.00 1.00 H new ATOM 0 HA GLN A 34 18.318 -5.848 4.807 1.00 1.00 H new ATOM 0 HB2 GLN A 34 18.537 -6.748 2.255 1.00 1.00 H new ATOM 0 HB3 GLN A 34 17.853 -5.182 1.865 1.00 1.00 H new ATOM 0 HG2 GLN A 34 19.771 -4.115 3.194 1.00 1.00 H new ATOM 0 HG3 GLN A 34 20.484 -5.710 3.325 1.00 1.00 H new ATOM 0 HE21 GLN A 34 20.046 -2.953 1.213 1.00 1.00 H new ATOM 0 HE22 GLN A 34 20.771 -3.671 -0.229 1.00 1.00 H new ATOM 543 N TYR A 35 17.548 -3.336 4.723 1.00 1.00 N ATOM 544 CA TYR A 35 17.019 -1.956 4.862 1.00 1.00 C ATOM 545 C TYR A 35 18.011 -0.870 4.337 1.00 1.00 C ATOM 546 O TYR A 35 19.159 -0.794 4.775 1.00 1.00 O ATOM 547 CB TYR A 35 16.563 -1.682 6.315 1.00 1.00 C ATOM 548 CG TYR A 35 16.288 -0.207 6.622 1.00 1.00 C ATOM 549 CD1 TYR A 35 15.589 0.590 5.684 1.00 1.00 C ATOM 550 CD2 TYR A 35 16.859 0.413 7.760 1.00 1.00 C ATOM 551 CE1 TYR A 35 15.593 1.995 5.804 1.00 1.00 C ATOM 552 CE2 TYR A 35 16.787 1.817 7.928 1.00 1.00 C ATOM 553 CZ TYR A 35 16.180 2.615 6.928 1.00 1.00 C ATOM 554 OH TYR A 35 16.113 3.966 7.052 1.00 1.00 O ATOM 0 H TYR A 35 18.466 -3.445 5.154 1.00 1.00 H new ATOM 0 HA TYR A 35 16.141 -1.884 4.220 1.00 1.00 H new ATOM 0 HB2 TYR A 35 15.659 -2.257 6.514 1.00 1.00 H new ATOM 0 HB3 TYR A 35 17.330 -2.046 6.999 1.00 1.00 H new ATOM 0 HD1 TYR A 35 15.051 0.121 4.874 1.00 1.00 H new ATOM 0 HD2 TYR A 35 17.354 -0.191 8.506 1.00 1.00 H new ATOM 0 HE1 TYR A 35 15.144 2.601 5.031 1.00 1.00 H new ATOM 0 HE2 TYR A 35 17.194 2.278 8.816 1.00 1.00 H new ATOM 0 HH TYR A 35 15.590 4.337 6.311 1.00 1.00 H new ATOM 564 N VAL A 36 17.558 -0.039 3.387 1.00 1.00 N ATOM 565 CA VAL A 36 18.253 1.049 2.648 1.00 1.00 C ATOM 566 C VAL A 36 17.679 2.438 3.019 1.00 1.00 C ATOM 567 O VAL A 36 16.488 2.701 2.822 1.00 1.00 O ATOM 568 CB VAL A 36 18.120 0.814 1.116 1.00 1.00 C ATOM 569 CG1 VAL A 36 18.880 1.879 0.308 1.00 1.00 C ATOM 570 CG2 VAL A 36 18.618 -0.571 0.657 1.00 1.00 C ATOM 0 H VAL A 36 16.589 -0.113 3.077 1.00 1.00 H new ATOM 0 HA VAL A 36 19.305 1.032 2.931 1.00 1.00 H new ATOM 0 HB VAL A 36 17.049 0.879 0.924 1.00 1.00 H new ATOM 0 HG11 VAL A 36 18.763 1.680 -0.757 1.00 1.00 H new ATOM 0 HG12 VAL A 36 18.479 2.866 0.539 1.00 1.00 H new ATOM 0 HG13 VAL A 36 19.938 1.847 0.569 1.00 1.00 H new ATOM 0 HG21 VAL A 36 18.494 -0.663 -0.422 1.00 1.00 H new ATOM 0 HG22 VAL A 36 19.672 -0.682 0.912 1.00 1.00 H new ATOM 0 HG23 VAL A 36 18.040 -1.349 1.156 1.00 1.00 H new ATOM 580 N ASP A 37 18.485 3.371 3.552 1.00 1.00 N ATOM 581 CA ASP A 37 18.003 4.680 4.057 1.00 1.00 C ATOM 582 C ASP A 37 17.924 5.752 2.943 1.00 1.00 C ATOM 583 O ASP A 37 18.829 6.552 2.744 1.00 1.00 O ATOM 584 CB ASP A 37 18.777 5.211 5.293 1.00 1.00 C ATOM 585 CG ASP A 37 19.825 4.285 5.921 1.00 1.00 C ATOM 586 OD1 ASP A 37 20.952 4.212 5.383 1.00 1.00 O ATOM 587 OD2 ASP A 37 19.560 3.675 6.980 1.00 1.00 O ATOM 0 H ASP A 37 19.493 3.244 3.648 1.00 1.00 H new ATOM 0 HA ASP A 37 16.989 4.480 4.403 1.00 1.00 H new ATOM 0 HB2 ASP A 37 19.275 6.137 5.006 1.00 1.00 H new ATOM 0 HB3 ASP A 37 18.048 5.466 6.063 1.00 1.00 H new ATOM 592 N ILE A 38 16.811 5.829 2.220 1.00 1.00 N ATOM 593 CA ILE A 38 16.594 6.826 1.133 1.00 1.00 C ATOM 594 C ILE A 38 16.386 8.234 1.720 1.00 1.00 C ATOM 595 O ILE A 38 16.986 9.204 1.265 1.00 1.00 O ATOM 596 CB ILE A 38 15.493 6.382 0.121 1.00 1.00 C ATOM 597 CG1 ILE A 38 14.041 6.420 0.661 1.00 1.00 C ATOM 598 CG2 ILE A 38 15.862 4.980 -0.402 1.00 1.00 C ATOM 599 CD1 ILE A 38 13.301 7.747 0.436 1.00 1.00 C ATOM 0 H ILE A 38 16.017 5.204 2.360 1.00 1.00 H new ATOM 0 HA ILE A 38 17.501 6.877 0.531 1.00 1.00 H new ATOM 0 HB ILE A 38 15.483 7.117 -0.684 1.00 1.00 H new ATOM 0 HG12 ILE A 38 13.472 5.619 0.188 1.00 1.00 H new ATOM 0 HG13 ILE A 38 14.061 6.209 1.730 1.00 1.00 H new ATOM 0 HG21 ILE A 38 15.106 4.646 -1.113 1.00 1.00 H new ATOM 0 HG22 ILE A 38 16.833 5.020 -0.896 1.00 1.00 H new ATOM 0 HG23 ILE A 38 15.909 4.281 0.433 1.00 1.00 H new ATOM 0 HD11 ILE A 38 12.294 7.676 0.848 1.00 1.00 H new ATOM 0 HD12 ILE A 38 13.840 8.553 0.933 1.00 1.00 H new ATOM 0 HD13 ILE A 38 13.243 7.954 -0.632 1.00 1.00 H new ATOM 611 N ARG A 39 15.639 8.305 2.836 1.00 1.00 N ATOM 612 CA ARG A 39 15.308 9.504 3.638 1.00 1.00 C ATOM 613 C ARG A 39 16.495 10.042 4.466 1.00 1.00 C ATOM 614 O ARG A 39 16.376 11.126 5.018 1.00 1.00 O ATOM 615 CB ARG A 39 14.036 9.215 4.494 1.00 1.00 C ATOM 616 CG ARG A 39 13.022 10.380 4.567 1.00 1.00 C ATOM 617 CD ARG A 39 13.287 11.498 5.600 1.00 1.00 C ATOM 618 NE ARG A 39 13.263 12.850 4.993 1.00 1.00 N ATOM 619 CZ ARG A 39 13.335 14.017 5.589 1.00 1.00 C ATOM 620 NH1 ARG A 39 13.316 14.182 6.864 1.00 1.00 N ATOM 621 NH2 ARG A 39 13.403 15.102 4.907 1.00 1.00 N ATOM 0 H ARG A 39 15.218 7.465 3.233 1.00 1.00 H new ATOM 0 HA ARG A 39 15.084 10.321 2.952 1.00 1.00 H new ATOM 0 HB2 ARG A 39 13.532 8.339 4.085 1.00 1.00 H new ATOM 0 HB3 ARG A 39 14.348 8.960 5.507 1.00 1.00 H new ATOM 0 HG2 ARG A 39 12.968 10.840 3.581 1.00 1.00 H new ATOM 0 HG3 ARG A 39 12.039 9.957 4.775 1.00 1.00 H new ATOM 0 HD2 ARG A 39 12.537 11.444 6.389 1.00 1.00 H new ATOM 0 HD3 ARG A 39 14.256 11.332 6.070 1.00 1.00 H new ATOM 0 HE ARG A 39 13.179 12.877 3.977 1.00 1.00 H new ATOM 0 HH11 ARG A 39 13.241 13.374 7.482 1.00 1.00 H new ATOM 0 HH12 ARG A 39 13.376 15.121 7.258 1.00 1.00 H new ATOM 0 HH21 ARG A 39 13.402 15.065 3.888 1.00 1.00 H new ATOM 0 HH22 ARG A 39 13.458 16.002 5.384 1.00 1.00 H new ATOM 635 N ALA A 40 17.626 9.315 4.517 1.00 1.00 N ATOM 636 CA ALA A 40 18.885 9.777 5.144 1.00 1.00 C ATOM 637 C ALA A 40 20.096 9.886 4.174 1.00 1.00 C ATOM 638 O ALA A 40 20.806 10.896 4.217 1.00 1.00 O ATOM 639 CB ALA A 40 19.164 8.930 6.396 1.00 1.00 C ATOM 0 H ALA A 40 17.696 8.378 4.120 1.00 1.00 H new ATOM 0 HA ALA A 40 18.742 10.814 5.448 1.00 1.00 H new ATOM 0 HB1 ALA A 40 20.090 9.265 6.863 1.00 1.00 H new ATOM 0 HB2 ALA A 40 18.341 9.042 7.102 1.00 1.00 H new ATOM 0 HB3 ALA A 40 19.259 7.882 6.112 1.00 1.00 H new ATOM 645 N GLU A 41 20.297 8.929 3.254 1.00 1.00 N ATOM 646 CA GLU A 41 21.331 8.954 2.184 1.00 1.00 C ATOM 647 C GLU A 41 21.128 10.060 1.108 1.00 1.00 C ATOM 648 O GLU A 41 22.103 10.477 0.482 1.00 1.00 O ATOM 649 CB GLU A 41 21.407 7.570 1.487 1.00 1.00 C ATOM 650 CG GLU A 41 22.774 7.199 0.878 1.00 1.00 C ATOM 651 CD GLU A 41 23.736 6.571 1.905 1.00 1.00 C ATOM 652 OE1 GLU A 41 23.365 5.571 2.569 1.00 1.00 O ATOM 653 OE2 GLU A 41 24.889 7.039 2.055 1.00 1.00 O ATOM 0 H GLU A 41 19.728 8.083 3.226 1.00 1.00 H new ATOM 0 HA GLU A 41 22.266 9.193 2.692 1.00 1.00 H new ATOM 0 HB2 GLU A 41 21.134 6.804 2.212 1.00 1.00 H new ATOM 0 HB3 GLU A 41 20.658 7.541 0.696 1.00 1.00 H new ATOM 0 HG2 GLU A 41 22.622 6.501 0.055 1.00 1.00 H new ATOM 0 HG3 GLU A 41 23.233 8.093 0.457 1.00 1.00 H new ATOM 660 N GLY A 42 19.889 10.552 0.905 1.00 1.00 N ATOM 661 CA GLY A 42 19.534 11.698 0.032 1.00 1.00 C ATOM 662 C GLY A 42 18.664 11.412 -1.209 1.00 1.00 C ATOM 663 O GLY A 42 18.776 12.122 -2.211 1.00 1.00 O ATOM 0 H GLY A 42 19.072 10.147 1.362 1.00 1.00 H new ATOM 0 HA2 GLY A 42 19.014 12.436 0.643 1.00 1.00 H new ATOM 0 HA3 GLY A 42 20.461 12.160 -0.308 1.00 1.00 H new ATOM 667 N ILE A 43 17.799 10.393 -1.151 1.00 1.00 N ATOM 668 CA ILE A 43 16.979 9.804 -2.239 1.00 1.00 C ATOM 669 C ILE A 43 15.456 9.928 -1.964 1.00 1.00 C ATOM 670 O ILE A 43 14.989 10.090 -0.835 1.00 1.00 O ATOM 671 CB ILE A 43 17.460 8.332 -2.450 1.00 1.00 C ATOM 672 CG1 ILE A 43 18.979 8.185 -2.773 1.00 1.00 C ATOM 673 CG2 ILE A 43 16.650 7.571 -3.523 1.00 1.00 C ATOM 674 CD1 ILE A 43 19.566 6.863 -2.245 1.00 1.00 C ATOM 0 H ILE A 43 17.634 9.910 -0.268 1.00 1.00 H new ATOM 0 HA ILE A 43 17.123 10.360 -3.165 1.00 1.00 H new ATOM 0 HB ILE A 43 17.280 7.880 -1.475 1.00 1.00 H new ATOM 0 HG12 ILE A 43 19.125 8.239 -3.852 1.00 1.00 H new ATOM 0 HG13 ILE A 43 19.523 9.022 -2.335 1.00 1.00 H new ATOM 0 HG21 ILE A 43 17.036 6.556 -3.619 1.00 1.00 H new ATOM 0 HG22 ILE A 43 15.601 7.534 -3.229 1.00 1.00 H new ATOM 0 HG23 ILE A 43 16.740 8.085 -4.480 1.00 1.00 H new ATOM 0 HD11 ILE A 43 20.625 6.810 -2.496 1.00 1.00 H new ATOM 0 HD12 ILE A 43 19.446 6.818 -1.162 1.00 1.00 H new ATOM 0 HD13 ILE A 43 19.042 6.024 -2.703 1.00 1.00 H new ATOM 686 N THR A 44 14.648 9.819 -3.021 1.00 1.00 N ATOM 687 CA THR A 44 13.184 10.070 -3.064 1.00 1.00 C ATOM 688 C THR A 44 12.357 8.990 -3.797 1.00 1.00 C ATOM 689 O THR A 44 12.894 8.185 -4.559 1.00 1.00 O ATOM 690 CB THR A 44 12.954 11.459 -3.709 1.00 1.00 C ATOM 691 OG1 THR A 44 11.575 11.697 -3.868 1.00 1.00 O ATOM 692 CG2 THR A 44 13.675 11.620 -5.056 1.00 1.00 C ATOM 0 H THR A 44 15.009 9.536 -3.932 1.00 1.00 H new ATOM 0 HA THR A 44 12.824 10.035 -2.036 1.00 1.00 H new ATOM 0 HB THR A 44 13.382 12.197 -3.030 1.00 1.00 H new ATOM 0 HG1 THR A 44 11.441 12.439 -4.494 1.00 1.00 H new ATOM 0 HG21 THR A 44 13.476 12.613 -5.459 1.00 1.00 H new ATOM 0 HG22 THR A 44 14.748 11.495 -4.911 1.00 1.00 H new ATOM 0 HG23 THR A 44 13.313 10.866 -5.755 1.00 1.00 H new ATOM 700 N LYS A 45 11.020 8.994 -3.613 1.00 1.00 N ATOM 701 CA LYS A 45 10.055 8.147 -4.360 1.00 1.00 C ATOM 702 C LYS A 45 10.077 8.352 -5.893 1.00 1.00 C ATOM 703 O LYS A 45 9.776 7.410 -6.619 1.00 1.00 O ATOM 704 CB LYS A 45 8.640 8.167 -3.715 1.00 1.00 C ATOM 705 CG LYS A 45 7.522 8.964 -4.422 1.00 1.00 C ATOM 706 CD LYS A 45 7.715 10.489 -4.411 1.00 1.00 C ATOM 707 CE LYS A 45 6.600 11.208 -5.188 1.00 1.00 C ATOM 708 NZ LYS A 45 5.465 11.606 -4.327 1.00 1.00 N ATOM 0 H LYS A 45 10.567 9.598 -2.927 1.00 1.00 H new ATOM 0 HA LYS A 45 10.408 7.121 -4.255 1.00 1.00 H new ATOM 0 HB2 LYS A 45 8.303 7.135 -3.621 1.00 1.00 H new ATOM 0 HB3 LYS A 45 8.741 8.562 -2.704 1.00 1.00 H new ATOM 0 HG2 LYS A 45 7.453 8.628 -5.457 1.00 1.00 H new ATOM 0 HG3 LYS A 45 6.570 8.728 -3.946 1.00 1.00 H new ATOM 0 HD2 LYS A 45 7.730 10.847 -3.381 1.00 1.00 H new ATOM 0 HD3 LYS A 45 8.682 10.737 -4.849 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.013 12.094 -5.670 1.00 1.00 H new ATOM 0 HE3 LYS A 45 6.237 10.554 -5.981 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 4.809 12.202 -4.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 4.966 10.756 -3.995 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 5.821 12.140 -3.509 1.00 1.00 H new ATOM 722 N GLU A 46 10.501 9.532 -6.372 1.00 1.00 N ATOM 723 CA GLU A 46 10.750 9.846 -7.800 1.00 1.00 C ATOM 724 C GLU A 46 11.872 8.934 -8.375 1.00 1.00 C ATOM 725 O GLU A 46 11.694 8.275 -9.398 1.00 1.00 O ATOM 726 CB GLU A 46 11.147 11.330 -7.986 1.00 1.00 C ATOM 727 CG GLU A 46 10.021 12.378 -7.824 1.00 1.00 C ATOM 728 CD GLU A 46 9.919 12.996 -6.413 1.00 1.00 C ATOM 729 OE1 GLU A 46 10.954 13.275 -5.767 1.00 1.00 O ATOM 730 OE2 GLU A 46 8.803 13.241 -5.906 1.00 1.00 O ATOM 0 H GLU A 46 10.688 10.326 -5.760 1.00 1.00 H new ATOM 0 HA GLU A 46 9.822 9.661 -8.342 1.00 1.00 H new ATOM 0 HB2 GLU A 46 11.934 11.564 -7.269 1.00 1.00 H new ATOM 0 HB3 GLU A 46 11.577 11.445 -8.981 1.00 1.00 H new ATOM 0 HG2 GLU A 46 10.180 13.178 -8.547 1.00 1.00 H new ATOM 0 HG3 GLU A 46 9.068 11.910 -8.072 1.00 1.00 H new ATOM 737 N ASP A 47 13.014 8.835 -7.680 1.00 1.00 N ATOM 738 CA ASP A 47 14.169 7.960 -7.974 1.00 1.00 C ATOM 739 C ASP A 47 13.827 6.445 -7.972 1.00 1.00 C ATOM 740 O ASP A 47 14.331 5.672 -8.797 1.00 1.00 O ATOM 741 CB ASP A 47 15.266 8.249 -6.927 1.00 1.00 C ATOM 742 CG ASP A 47 16.615 7.667 -7.349 1.00 1.00 C ATOM 743 OD1 ASP A 47 17.167 8.073 -8.394 1.00 1.00 O ATOM 744 OD2 ASP A 47 17.119 6.735 -6.686 1.00 1.00 O ATOM 0 H ASP A 47 13.170 9.398 -6.844 1.00 1.00 H new ATOM 0 HA ASP A 47 14.504 8.186 -8.986 1.00 1.00 H new ATOM 0 HB2 ASP A 47 15.362 9.326 -6.787 1.00 1.00 H new ATOM 0 HB3 ASP A 47 14.972 7.828 -5.966 1.00 1.00 H new ATOM 749 N LEU A 48 12.974 6.044 -7.018 1.00 1.00 N ATOM 750 CA LEU A 48 12.468 4.689 -6.768 1.00 1.00 C ATOM 751 C LEU A 48 11.420 4.227 -7.811 1.00 1.00 C ATOM 752 O LEU A 48 11.621 3.152 -8.375 1.00 1.00 O ATOM 753 CB LEU A 48 11.970 4.600 -5.303 1.00 1.00 C ATOM 754 CG LEU A 48 13.101 4.735 -4.241 1.00 1.00 C ATOM 755 CD1 LEU A 48 12.558 5.148 -2.866 1.00 1.00 C ATOM 756 CD2 LEU A 48 13.886 3.426 -4.092 1.00 1.00 C ATOM 0 H LEU A 48 12.591 6.712 -6.350 1.00 1.00 H new ATOM 0 HA LEU A 48 13.285 3.979 -6.895 1.00 1.00 H new ATOM 0 HB2 LEU A 48 11.231 5.383 -5.133 1.00 1.00 H new ATOM 0 HB3 LEU A 48 11.463 3.646 -5.160 1.00 1.00 H new ATOM 0 HG LEU A 48 13.765 5.519 -4.604 1.00 1.00 H new ATOM 0 HD11 LEU A 48 13.383 5.229 -2.158 1.00 1.00 H new ATOM 0 HD12 LEU A 48 12.054 6.111 -2.948 1.00 1.00 H new ATOM 0 HD13 LEU A 48 11.851 4.397 -2.514 1.00 1.00 H new ATOM 0 HD21 LEU A 48 14.668 3.554 -3.343 1.00 1.00 H new ATOM 0 HD22 LEU A 48 13.210 2.630 -3.779 1.00 1.00 H new ATOM 0 HD23 LEU A 48 14.339 3.162 -5.048 1.00 1.00 H new ATOM 768 N GLN A 49 10.365 5.006 -8.141 1.00 1.00 N ATOM 769 CA GLN A 49 9.378 4.671 -9.212 1.00 1.00 C ATOM 770 C GLN A 49 10.032 4.292 -10.571 1.00 1.00 C ATOM 771 O GLN A 49 9.498 3.468 -11.314 1.00 1.00 O ATOM 772 CB GLN A 49 8.325 5.787 -9.438 1.00 1.00 C ATOM 773 CG GLN A 49 8.779 7.146 -9.992 1.00 1.00 C ATOM 774 CD GLN A 49 7.630 8.022 -10.506 1.00 1.00 C ATOM 775 OE1 GLN A 49 7.667 8.559 -11.600 1.00 1.00 O ATOM 776 NE2 GLN A 49 6.569 8.254 -9.774 1.00 1.00 N ATOM 0 H GLN A 49 10.167 5.891 -7.674 1.00 1.00 H new ATOM 0 HA GLN A 49 8.870 3.786 -8.829 1.00 1.00 H new ATOM 0 HB2 GLN A 49 7.569 5.392 -10.117 1.00 1.00 H new ATOM 0 HB3 GLN A 49 7.831 5.970 -8.484 1.00 1.00 H new ATOM 0 HG2 GLN A 49 9.313 7.686 -9.210 1.00 1.00 H new ATOM 0 HG3 GLN A 49 9.487 6.978 -10.804 1.00 1.00 H new ATOM 0 HE21 GLN A 49 6.484 7.831 -8.850 1.00 1.00 H new ATOM 0 HE22 GLN A 49 5.827 8.858 -10.128 1.00 1.00 H new ATOM 785 N GLN A 50 11.188 4.890 -10.902 1.00 1.00 N ATOM 786 CA GLN A 50 11.956 4.710 -12.149 1.00 1.00 C ATOM 787 C GLN A 50 12.656 3.337 -12.247 1.00 1.00 C ATOM 788 O GLN A 50 12.246 2.510 -13.066 1.00 1.00 O ATOM 789 CB GLN A 50 12.944 5.878 -12.328 1.00 1.00 C ATOM 790 CG GLN A 50 12.251 7.220 -12.620 1.00 1.00 C ATOM 791 CD GLN A 50 13.245 8.371 -12.579 1.00 1.00 C ATOM 792 OE1 GLN A 50 13.842 8.784 -13.563 1.00 1.00 O ATOM 793 NE2 GLN A 50 13.510 8.901 -11.419 1.00 1.00 N ATOM 0 H GLN A 50 11.640 5.551 -10.270 1.00 1.00 H new ATOM 0 HA GLN A 50 11.244 4.721 -12.974 1.00 1.00 H new ATOM 0 HB2 GLN A 50 13.547 5.977 -11.425 1.00 1.00 H new ATOM 0 HB3 GLN A 50 13.628 5.645 -13.144 1.00 1.00 H new ATOM 0 HG2 GLN A 50 11.775 7.181 -13.600 1.00 1.00 H new ATOM 0 HG3 GLN A 50 11.461 7.391 -11.889 1.00 1.00 H new ATOM 0 HE21 GLN A 50 13.024 8.572 -10.585 1.00 1.00 H new ATOM 0 HE22 GLN A 50 14.204 9.645 -11.345 1.00 1.00 H new ATOM 802 N LYS A 51 13.662 3.071 -11.389 1.00 1.00 N ATOM 803 CA LYS A 51 14.408 1.780 -11.265 1.00 1.00 C ATOM 804 C LYS A 51 13.554 0.546 -10.887 1.00 1.00 C ATOM 805 O LYS A 51 14.015 -0.591 -11.004 1.00 1.00 O ATOM 806 CB LYS A 51 15.587 1.957 -10.283 1.00 1.00 C ATOM 807 CG LYS A 51 16.713 2.823 -10.881 1.00 1.00 C ATOM 808 CD LYS A 51 17.956 2.931 -9.979 1.00 1.00 C ATOM 809 CE LYS A 51 17.730 3.656 -8.641 1.00 1.00 C ATOM 810 NZ LYS A 51 17.285 5.060 -8.825 1.00 1.00 N ATOM 0 H LYS A 51 13.999 3.773 -10.731 1.00 1.00 H new ATOM 0 HA LYS A 51 14.769 1.553 -12.268 1.00 1.00 H new ATOM 0 HB2 LYS A 51 15.226 2.417 -9.363 1.00 1.00 H new ATOM 0 HB3 LYS A 51 15.986 0.978 -10.015 1.00 1.00 H new ATOM 0 HG2 LYS A 51 17.009 2.405 -11.843 1.00 1.00 H new ATOM 0 HG3 LYS A 51 16.326 3.824 -11.073 1.00 1.00 H new ATOM 0 HD2 LYS A 51 18.324 1.926 -9.772 1.00 1.00 H new ATOM 0 HD3 LYS A 51 18.741 3.451 -10.528 1.00 1.00 H new ATOM 0 HE2 LYS A 51 16.984 3.115 -8.059 1.00 1.00 H new ATOM 0 HE3 LYS A 51 18.655 3.644 -8.064 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 17.515 5.611 -7.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 17.771 5.473 -9.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 16.257 5.080 -8.984 1.00 1.00 H new ATOM 824 N ALA A 52 12.324 0.794 -10.440 1.00 1.00 N ATOM 825 CA ALA A 52 11.234 -0.139 -10.157 1.00 1.00 C ATOM 826 C ALA A 52 10.179 -0.328 -11.272 1.00 1.00 C ATOM 827 O ALA A 52 9.437 -1.309 -11.227 1.00 1.00 O ATOM 828 CB ALA A 52 10.476 0.476 -8.974 1.00 1.00 C ATOM 0 H ALA A 52 12.037 1.753 -10.247 1.00 1.00 H new ATOM 0 HA ALA A 52 11.693 -1.116 -10.005 1.00 1.00 H new ATOM 0 HB1 ALA A 52 9.640 -0.169 -8.702 1.00 1.00 H new ATOM 0 HB2 ALA A 52 11.149 0.576 -8.123 1.00 1.00 H new ATOM 0 HB3 ALA A 52 10.099 1.459 -9.255 1.00 1.00 H new ATOM 834 N GLY A 53 10.024 0.637 -12.190 1.00 1.00 N ATOM 835 CA GLY A 53 8.953 0.706 -13.200 1.00 1.00 C ATOM 836 C GLY A 53 7.577 1.108 -12.616 1.00 1.00 C ATOM 837 O GLY A 53 6.803 1.798 -13.285 1.00 1.00 O ATOM 0 H GLY A 53 10.668 1.425 -12.253 1.00 1.00 H new ATOM 0 HA2 GLY A 53 9.236 1.424 -13.969 1.00 1.00 H new ATOM 0 HA3 GLY A 53 8.862 -0.264 -13.688 1.00 1.00 H new ATOM 841 N LYS A 54 7.306 0.732 -11.356 1.00 1.00 N ATOM 842 CA LYS A 54 6.101 0.899 -10.523 1.00 1.00 C ATOM 843 C LYS A 54 5.653 2.379 -10.447 1.00 1.00 C ATOM 844 O LYS A 54 6.449 3.201 -9.986 1.00 1.00 O ATOM 845 CB LYS A 54 6.436 0.332 -9.119 1.00 1.00 C ATOM 846 CG LYS A 54 5.220 -0.106 -8.275 1.00 1.00 C ATOM 847 CD LYS A 54 4.841 -1.582 -8.513 1.00 1.00 C ATOM 848 CE LYS A 54 3.906 -2.154 -7.432 1.00 1.00 C ATOM 849 NZ LYS A 54 3.972 -3.640 -7.401 1.00 1.00 N ATOM 0 H LYS A 54 8.023 0.237 -10.826 1.00 1.00 H new ATOM 0 HA LYS A 54 5.261 0.361 -10.963 1.00 1.00 H new ATOM 0 HB2 LYS A 54 7.100 -0.524 -9.240 1.00 1.00 H new ATOM 0 HB3 LYS A 54 6.990 1.089 -8.563 1.00 1.00 H new ATOM 0 HG2 LYS A 54 5.442 0.044 -7.218 1.00 1.00 H new ATOM 0 HG3 LYS A 54 4.367 0.529 -8.515 1.00 1.00 H new ATOM 0 HD2 LYS A 54 4.358 -1.673 -9.486 1.00 1.00 H new ATOM 0 HD3 LYS A 54 5.750 -2.182 -8.551 1.00 1.00 H new ATOM 0 HE2 LYS A 54 4.184 -1.754 -6.457 1.00 1.00 H new ATOM 0 HE3 LYS A 54 2.882 -1.836 -7.627 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 3.399 -3.997 -6.610 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 3.604 -4.023 -8.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 4.960 -3.941 -7.276 1.00 1.00 H new ATOM 863 N PRO A 55 4.426 2.761 -10.870 1.00 1.00 N ATOM 864 CA PRO A 55 3.956 4.161 -10.868 1.00 1.00 C ATOM 865 C PRO A 55 3.569 4.649 -9.450 1.00 1.00 C ATOM 866 O PRO A 55 2.395 4.833 -9.124 1.00 1.00 O ATOM 867 CB PRO A 55 2.801 4.168 -11.880 1.00 1.00 C ATOM 868 CG PRO A 55 2.171 2.787 -11.675 1.00 1.00 C ATOM 869 CD PRO A 55 3.392 1.895 -11.438 1.00 1.00 C ATOM 0 HA PRO A 55 4.730 4.872 -11.157 1.00 1.00 H new ATOM 0 HB2 PRO A 55 2.092 4.971 -11.680 1.00 1.00 H new ATOM 0 HB3 PRO A 55 3.157 4.304 -12.901 1.00 1.00 H new ATOM 0 HG2 PRO A 55 1.489 2.775 -10.825 1.00 1.00 H new ATOM 0 HG3 PRO A 55 1.599 2.469 -12.547 1.00 1.00 H new ATOM 0 HD2 PRO A 55 3.151 1.078 -10.757 1.00 1.00 H new ATOM 0 HD3 PRO A 55 3.731 1.444 -12.370 1.00 1.00 H new ATOM 877 N VAL A 56 4.570 4.800 -8.573 1.00 1.00 N ATOM 878 CA VAL A 56 4.402 5.166 -7.144 1.00 1.00 C ATOM 879 C VAL A 56 4.176 6.676 -6.910 1.00 1.00 C ATOM 880 O VAL A 56 4.623 7.513 -7.695 1.00 1.00 O ATOM 881 CB VAL A 56 5.563 4.654 -6.247 1.00 1.00 C ATOM 882 CG1 VAL A 56 5.981 3.185 -6.503 1.00 1.00 C ATOM 883 CG2 VAL A 56 6.856 5.500 -6.229 1.00 1.00 C ATOM 0 H VAL A 56 5.547 4.670 -8.835 1.00 1.00 H new ATOM 0 HA VAL A 56 3.488 4.652 -6.845 1.00 1.00 H new ATOM 0 HB VAL A 56 5.084 4.749 -5.273 1.00 1.00 H new ATOM 0 HG11 VAL A 56 6.797 2.917 -5.832 1.00 1.00 H new ATOM 0 HG12 VAL A 56 5.131 2.528 -6.322 1.00 1.00 H new ATOM 0 HG13 VAL A 56 6.310 3.075 -7.536 1.00 1.00 H new ATOM 0 HG21 VAL A 56 7.586 5.035 -5.566 1.00 1.00 H new ATOM 0 HG22 VAL A 56 7.267 5.558 -7.237 1.00 1.00 H new ATOM 0 HG23 VAL A 56 6.629 6.504 -5.871 1.00 1.00 H new ATOM 893 N GLU A 57 3.558 7.023 -5.779 1.00 1.00 N ATOM 894 CA GLU A 57 3.367 8.397 -5.243 1.00 1.00 C ATOM 895 C GLU A 57 3.595 8.461 -3.711 1.00 1.00 C ATOM 896 O GLU A 57 4.251 9.377 -3.216 1.00 1.00 O ATOM 897 CB GLU A 57 1.979 8.939 -5.674 1.00 1.00 C ATOM 898 CG GLU A 57 1.441 10.191 -4.945 1.00 1.00 C ATOM 899 CD GLU A 57 2.432 11.362 -4.827 1.00 1.00 C ATOM 900 OE1 GLU A 57 3.034 11.810 -5.830 1.00 1.00 O ATOM 901 OE2 GLU A 57 2.646 11.873 -3.703 1.00 1.00 O ATOM 0 H GLU A 57 3.148 6.318 -5.166 1.00 1.00 H new ATOM 0 HA GLU A 57 4.126 9.051 -5.672 1.00 1.00 H new ATOM 0 HB2 GLU A 57 2.022 9.164 -6.740 1.00 1.00 H new ATOM 0 HB3 GLU A 57 1.251 8.138 -5.547 1.00 1.00 H new ATOM 0 HG2 GLU A 57 0.551 10.541 -5.468 1.00 1.00 H new ATOM 0 HG3 GLU A 57 1.127 9.900 -3.942 1.00 1.00 H new ATOM 908 N THR A 58 3.120 7.465 -2.962 1.00 1.00 N ATOM 909 CA THR A 58 3.270 7.273 -1.499 1.00 1.00 C ATOM 910 C THR A 58 4.192 6.100 -1.125 1.00 1.00 C ATOM 911 O THR A 58 4.836 5.454 -1.958 1.00 1.00 O ATOM 912 CB THR A 58 1.898 7.092 -0.796 1.00 1.00 C ATOM 913 OG1 THR A 58 1.180 6.024 -1.383 1.00 1.00 O ATOM 914 CG2 THR A 58 1.068 8.369 -0.831 1.00 1.00 C ATOM 0 H THR A 58 2.579 6.710 -3.383 1.00 1.00 H new ATOM 0 HA THR A 58 3.741 8.189 -1.144 1.00 1.00 H new ATOM 0 HB THR A 58 2.096 6.857 0.250 1.00 1.00 H new ATOM 0 HG1 THR A 58 0.571 5.636 -0.720 1.00 1.00 H new ATOM 0 HG21 THR A 58 0.116 8.198 -0.328 1.00 1.00 H new ATOM 0 HG22 THR A 58 1.608 9.168 -0.323 1.00 1.00 H new ATOM 0 HG23 THR A 58 0.885 8.656 -1.867 1.00 1.00 H new ATOM 922 N VAL A 59 4.331 5.890 0.189 1.00 1.00 N ATOM 923 CA VAL A 59 5.007 4.727 0.812 1.00 1.00 C ATOM 924 C VAL A 59 3.984 3.619 1.106 1.00 1.00 C ATOM 925 O VAL A 59 2.808 3.939 1.300 1.00 1.00 O ATOM 926 CB VAL A 59 5.758 5.068 2.128 1.00 1.00 C ATOM 927 CG1 VAL A 59 7.258 5.163 1.835 1.00 1.00 C ATOM 928 CG2 VAL A 59 5.206 6.305 2.851 1.00 1.00 C ATOM 0 H VAL A 59 3.965 6.545 0.880 1.00 1.00 H new ATOM 0 HA VAL A 59 5.753 4.396 0.089 1.00 1.00 H new ATOM 0 HB VAL A 59 5.587 4.258 2.837 1.00 1.00 H new ATOM 0 HG11 VAL A 59 7.794 5.402 2.754 1.00 1.00 H new ATOM 0 HG12 VAL A 59 7.614 4.209 1.445 1.00 1.00 H new ATOM 0 HG13 VAL A 59 7.436 5.945 1.097 1.00 1.00 H new ATOM 0 HG21 VAL A 59 5.780 6.481 3.761 1.00 1.00 H new ATOM 0 HG22 VAL A 59 5.286 7.174 2.198 1.00 1.00 H new ATOM 0 HG23 VAL A 59 4.160 6.139 3.108 1.00 1.00 H new ATOM 938 N PRO A 60 4.406 2.346 1.252 1.00 1.00 N ATOM 939 CA PRO A 60 5.796 1.859 1.250 1.00 1.00 C ATOM 940 C PRO A 60 6.477 1.825 -0.136 1.00 1.00 C ATOM 941 O PRO A 60 5.864 2.053 -1.176 1.00 1.00 O ATOM 942 CB PRO A 60 5.717 0.490 1.920 1.00 1.00 C ATOM 943 CG PRO A 60 4.320 -0.012 1.556 1.00 1.00 C ATOM 944 CD PRO A 60 3.482 1.236 1.387 1.00 1.00 C ATOM 0 HA PRO A 60 6.447 2.550 1.786 1.00 1.00 H new ATOM 0 HB2 PRO A 60 6.492 -0.182 1.551 1.00 1.00 H new ATOM 0 HB3 PRO A 60 5.847 0.565 3.000 1.00 1.00 H new ATOM 0 HG2 PRO A 60 4.340 -0.600 0.639 1.00 1.00 H new ATOM 0 HG3 PRO A 60 3.916 -0.655 2.338 1.00 1.00 H new ATOM 0 HD2 PRO A 60 2.843 1.156 0.508 1.00 1.00 H new ATOM 0 HD3 PRO A 60 2.827 1.381 2.246 1.00 1.00 H new ATOM 952 N GLN A 61 7.790 1.593 -0.123 1.00 1.00 N ATOM 953 CA GLN A 61 8.705 1.482 -1.264 1.00 1.00 C ATOM 954 C GLN A 61 9.658 0.272 -1.087 1.00 1.00 C ATOM 955 O GLN A 61 10.871 0.403 -0.947 1.00 1.00 O ATOM 956 CB GLN A 61 9.469 2.827 -1.406 1.00 1.00 C ATOM 957 CG GLN A 61 8.610 4.010 -1.892 1.00 1.00 C ATOM 958 CD GLN A 61 8.040 3.741 -3.277 1.00 1.00 C ATOM 959 OE1 GLN A 61 8.740 3.418 -4.223 1.00 1.00 O ATOM 960 NE2 GLN A 61 6.757 3.775 -3.489 1.00 1.00 N ATOM 0 H GLN A 61 8.284 1.467 0.760 1.00 1.00 H new ATOM 0 HA GLN A 61 8.150 1.297 -2.184 1.00 1.00 H new ATOM 0 HB2 GLN A 61 9.904 3.085 -0.441 1.00 1.00 H new ATOM 0 HB3 GLN A 61 10.296 2.687 -2.102 1.00 1.00 H new ATOM 0 HG2 GLN A 61 7.796 4.186 -1.188 1.00 1.00 H new ATOM 0 HG3 GLN A 61 9.214 4.917 -1.914 1.00 1.00 H new ATOM 0 HE21 GLN A 61 6.122 4.038 -2.735 1.00 1.00 H new ATOM 0 HE22 GLN A 61 6.386 3.539 -4.409 1.00 1.00 H new ATOM 969 N ILE A 62 9.098 -0.936 -1.149 1.00 1.00 N ATOM 970 CA ILE A 62 9.796 -2.240 -1.038 1.00 1.00 C ATOM 971 C ILE A 62 10.077 -2.921 -2.401 1.00 1.00 C ATOM 972 O ILE A 62 9.365 -2.756 -3.395 1.00 1.00 O ATOM 973 CB ILE A 62 9.025 -3.135 -0.018 1.00 1.00 C ATOM 974 CG1 ILE A 62 9.260 -2.547 1.401 1.00 1.00 C ATOM 975 CG2 ILE A 62 9.403 -4.634 -0.080 1.00 1.00 C ATOM 976 CD1 ILE A 62 8.527 -3.205 2.572 1.00 1.00 C ATOM 0 H ILE A 62 8.093 -1.050 -1.285 1.00 1.00 H new ATOM 0 HA ILE A 62 10.801 -2.068 -0.652 1.00 1.00 H new ATOM 0 HB ILE A 62 7.967 -3.115 -0.279 1.00 1.00 H new ATOM 0 HG12 ILE A 62 10.329 -2.588 1.609 1.00 1.00 H new ATOM 0 HG13 ILE A 62 8.980 -1.494 1.379 1.00 1.00 H new ATOM 0 HG21 ILE A 62 8.823 -5.186 0.660 1.00 1.00 H new ATOM 0 HG22 ILE A 62 9.186 -5.023 -1.075 1.00 1.00 H new ATOM 0 HG23 ILE A 62 10.466 -4.750 0.132 1.00 1.00 H new ATOM 0 HD11 ILE A 62 8.786 -2.691 3.498 1.00 1.00 H new ATOM 0 HD12 ILE A 62 7.451 -3.141 2.410 1.00 1.00 H new ATOM 0 HD13 ILE A 62 8.821 -4.252 2.643 1.00 1.00 H new ATOM 988 N PHE A 63 11.155 -3.716 -2.426 1.00 1.00 N ATOM 989 CA PHE A 63 11.587 -4.612 -3.504 1.00 1.00 C ATOM 990 C PHE A 63 11.714 -6.044 -2.953 1.00 1.00 C ATOM 991 O PHE A 63 12.517 -6.290 -2.057 1.00 1.00 O ATOM 992 CB PHE A 63 12.929 -4.137 -4.110 1.00 1.00 C ATOM 993 CG PHE A 63 12.887 -2.895 -5.001 1.00 1.00 C ATOM 994 CD1 PHE A 63 12.617 -1.624 -4.439 1.00 1.00 C ATOM 995 CD2 PHE A 63 13.232 -2.977 -6.373 1.00 1.00 C ATOM 996 CE1 PHE A 63 12.728 -0.454 -5.220 1.00 1.00 C ATOM 997 CE2 PHE A 63 13.335 -1.808 -7.160 1.00 1.00 C ATOM 998 CZ PHE A 63 13.102 -0.544 -6.577 1.00 1.00 C ATOM 0 H PHE A 63 11.795 -3.751 -1.633 1.00 1.00 H new ATOM 0 HA PHE A 63 10.843 -4.598 -4.300 1.00 1.00 H new ATOM 0 HB2 PHE A 63 13.621 -3.943 -3.290 1.00 1.00 H new ATOM 0 HB3 PHE A 63 13.347 -4.958 -4.693 1.00 1.00 H new ATOM 0 HD1 PHE A 63 12.323 -1.549 -3.402 1.00 1.00 H new ATOM 0 HD2 PHE A 63 13.418 -3.942 -6.821 1.00 1.00 H new ATOM 0 HE1 PHE A 63 12.526 0.511 -4.778 1.00 1.00 H new ATOM 0 HE2 PHE A 63 13.592 -1.882 -8.206 1.00 1.00 H new ATOM 0 HZ PHE A 63 13.210 0.353 -7.169 1.00 1.00 H new ATOM 1008 N VAL A 64 10.926 -6.991 -3.469 1.00 1.00 N ATOM 1009 CA VAL A 64 10.989 -8.434 -3.129 1.00 1.00 C ATOM 1010 C VAL A 64 11.599 -9.194 -4.311 1.00 1.00 C ATOM 1011 O VAL A 64 11.158 -9.066 -5.453 1.00 1.00 O ATOM 1012 CB VAL A 64 9.619 -9.034 -2.761 1.00 1.00 C ATOM 1013 CG1 VAL A 64 9.778 -10.492 -2.300 1.00 1.00 C ATOM 1014 CG2 VAL A 64 8.932 -8.261 -1.626 1.00 1.00 C ATOM 0 H VAL A 64 10.202 -6.779 -4.156 1.00 1.00 H new ATOM 0 HA VAL A 64 11.612 -8.535 -2.240 1.00 1.00 H new ATOM 0 HB VAL A 64 9.006 -8.972 -3.660 1.00 1.00 H new ATOM 0 HG11 VAL A 64 8.801 -10.901 -2.044 1.00 1.00 H new ATOM 0 HG12 VAL A 64 10.219 -11.082 -3.104 1.00 1.00 H new ATOM 0 HG13 VAL A 64 10.427 -10.528 -1.425 1.00 1.00 H new ATOM 0 HG21 VAL A 64 7.970 -8.722 -1.402 1.00 1.00 H new ATOM 0 HG22 VAL A 64 9.561 -8.285 -0.736 1.00 1.00 H new ATOM 0 HG23 VAL A 64 8.776 -7.227 -1.932 1.00 1.00 H new ATOM 1024 N ASP A 65 12.623 -9.996 -4.036 1.00 1.00 N ATOM 1025 CA ASP A 65 13.489 -10.702 -4.988 1.00 1.00 C ATOM 1026 C ASP A 65 13.983 -9.767 -6.135 1.00 1.00 C ATOM 1027 O ASP A 65 13.983 -10.109 -7.319 1.00 1.00 O ATOM 1028 CB ASP A 65 12.777 -12.007 -5.411 1.00 1.00 C ATOM 1029 CG ASP A 65 13.163 -13.221 -4.551 1.00 1.00 C ATOM 1030 OD1 ASP A 65 14.333 -13.331 -4.109 1.00 1.00 O ATOM 1031 OD2 ASP A 65 12.269 -14.048 -4.256 1.00 1.00 O ATOM 0 H ASP A 65 12.893 -10.187 -3.071 1.00 1.00 H new ATOM 0 HA ASP A 65 14.429 -11.004 -4.526 1.00 1.00 H new ATOM 0 HB2 ASP A 65 11.699 -11.859 -5.353 1.00 1.00 H new ATOM 0 HB3 ASP A 65 13.014 -12.220 -6.453 1.00 1.00 H new ATOM 1036 N GLN A 66 14.429 -8.566 -5.735 1.00 1.00 N ATOM 1037 CA GLN A 66 15.042 -7.461 -6.500 1.00 1.00 C ATOM 1038 C GLN A 66 14.120 -6.662 -7.467 1.00 1.00 C ATOM 1039 O GLN A 66 14.601 -5.786 -8.185 1.00 1.00 O ATOM 1040 CB GLN A 66 16.387 -7.939 -7.107 1.00 1.00 C ATOM 1041 CG GLN A 66 17.520 -6.897 -7.058 1.00 1.00 C ATOM 1042 CD GLN A 66 17.571 -5.948 -8.252 1.00 1.00 C ATOM 1043 OE1 GLN A 66 17.620 -6.353 -9.409 1.00 1.00 O ATOM 1044 NE2 GLN A 66 17.571 -4.654 -8.039 1.00 1.00 N ATOM 0 H GLN A 66 14.362 -8.313 -4.749 1.00 1.00 H new ATOM 0 HA GLN A 66 15.246 -6.669 -5.779 1.00 1.00 H new ATOM 0 HB2 GLN A 66 16.712 -8.834 -6.577 1.00 1.00 H new ATOM 0 HB3 GLN A 66 16.220 -8.226 -8.145 1.00 1.00 H new ATOM 0 HG2 GLN A 66 17.413 -6.307 -6.148 1.00 1.00 H new ATOM 0 HG3 GLN A 66 18.473 -7.421 -6.988 1.00 1.00 H new ATOM 0 HE21 GLN A 66 17.531 -4.294 -7.085 1.00 1.00 H new ATOM 0 HE22 GLN A 66 17.611 -4.007 -8.827 1.00 1.00 H new ATOM 1053 N GLN A 67 12.795 -6.872 -7.439 1.00 1.00 N ATOM 1054 CA GLN A 67 11.760 -6.091 -8.169 1.00 1.00 C ATOM 1055 C GLN A 67 10.716 -5.470 -7.212 1.00 1.00 C ATOM 1056 O GLN A 67 10.463 -6.003 -6.126 1.00 1.00 O ATOM 1057 CB GLN A 67 11.161 -6.930 -9.312 1.00 1.00 C ATOM 1058 CG GLN A 67 10.260 -8.097 -8.873 1.00 1.00 C ATOM 1059 CD GLN A 67 8.798 -7.740 -8.578 1.00 1.00 C ATOM 1060 OE1 GLN A 67 8.005 -8.698 -8.178 1.00 1.00 O flip ATOM 1061 NE2 GLN A 67 8.315 -6.624 -8.721 1.00 1.00 N flip ATOM 0 H GLN A 67 12.387 -7.624 -6.884 1.00 1.00 H new ATOM 0 HA GLN A 67 12.235 -5.231 -8.641 1.00 1.00 H new ATOM 0 HB2 GLN A 67 10.583 -6.271 -9.959 1.00 1.00 H new ATOM 0 HB3 GLN A 67 11.978 -7.330 -9.913 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.278 -8.858 -9.653 1.00 1.00 H new ATOM 0 HG3 GLN A 67 10.691 -8.547 -7.979 1.00 1.00 H new ATOM 0 HE21 GLN A 67 8.902 -5.850 -9.032 1.00 1.00 H new ATOM 0 HE22 GLN A 67 7.325 -6.468 -8.529 1.00 1.00 H new ATOM 1070 N HIS A 68 10.105 -4.332 -7.584 1.00 1.00 N ATOM 1071 CA HIS A 68 9.236 -3.556 -6.667 1.00 1.00 C ATOM 1072 C HIS A 68 7.842 -4.156 -6.372 1.00 1.00 C ATOM 1073 O HIS A 68 6.858 -3.963 -7.091 1.00 1.00 O ATOM 1074 CB HIS A 68 9.156 -2.101 -7.161 1.00 1.00 C ATOM 1075 CG HIS A 68 8.585 -1.074 -6.190 1.00 1.00 C ATOM 1076 ND1 HIS A 68 7.353 -1.111 -5.555 1.00 1.00 N ATOM 1077 CD2 HIS A 68 9.162 0.127 -5.874 1.00 1.00 C ATOM 1078 CE1 HIS A 68 7.195 0.051 -4.881 1.00 1.00 C ATOM 1079 NE2 HIS A 68 8.294 0.807 -5.051 1.00 1.00 N ATOM 0 H HIS A 68 10.194 -3.924 -8.515 1.00 1.00 H new ATOM 0 HA HIS A 68 9.716 -3.601 -5.689 1.00 1.00 H new ATOM 0 HB2 HIS A 68 10.160 -1.782 -7.441 1.00 1.00 H new ATOM 0 HB3 HIS A 68 8.552 -2.083 -8.068 1.00 1.00 H new ATOM 0 HD2 HIS A 68 10.126 0.478 -6.211 1.00 1.00 H new ATOM 0 HE1 HIS A 68 6.327 0.327 -4.301 1.00 1.00 H new ATOM 0 HE2 HIS A 68 8.456 1.727 -4.640 1.00 1.00 H new ATOM 1088 N ILE A 69 7.712 -4.655 -5.146 1.00 1.00 N ATOM 1089 CA ILE A 69 6.493 -5.135 -4.469 1.00 1.00 C ATOM 1090 C ILE A 69 6.216 -4.070 -3.407 1.00 1.00 C ATOM 1091 O ILE A 69 6.935 -4.032 -2.412 1.00 1.00 O ATOM 1092 CB ILE A 69 6.677 -6.544 -3.850 1.00 1.00 C ATOM 1093 CG1 ILE A 69 6.876 -7.658 -4.908 1.00 1.00 C ATOM 1094 CG2 ILE A 69 5.506 -6.914 -2.914 1.00 1.00 C ATOM 1095 CD1 ILE A 69 5.781 -7.736 -5.987 1.00 1.00 C ATOM 0 H ILE A 69 8.527 -4.745 -4.539 1.00 1.00 H new ATOM 0 HA ILE A 69 5.660 -5.258 -5.161 1.00 1.00 H new ATOM 0 HB ILE A 69 7.595 -6.483 -3.266 1.00 1.00 H new ATOM 0 HG12 ILE A 69 7.837 -7.505 -5.398 1.00 1.00 H new ATOM 0 HG13 ILE A 69 6.929 -8.619 -4.396 1.00 1.00 H new ATOM 0 HG21 ILE A 69 5.672 -7.909 -2.500 1.00 1.00 H new ATOM 0 HG22 ILE A 69 5.445 -6.188 -2.103 1.00 1.00 H new ATOM 0 HG23 ILE A 69 4.573 -6.907 -3.478 1.00 1.00 H new ATOM 0 HD11 ILE A 69 6.010 -8.546 -6.680 1.00 1.00 H new ATOM 0 HD12 ILE A 69 4.817 -7.924 -5.514 1.00 1.00 H new ATOM 0 HD13 ILE A 69 5.740 -6.793 -6.532 1.00 1.00 H new ATOM 1107 N GLY A 70 5.248 -3.175 -3.664 1.00 1.00 N ATOM 1108 CA GLY A 70 4.910 -1.964 -2.881 1.00 1.00 C ATOM 1109 C GLY A 70 5.430 -1.926 -1.442 1.00 1.00 C ATOM 1110 O GLY A 70 6.207 -1.049 -1.068 1.00 1.00 O ATOM 0 H GLY A 70 4.639 -3.280 -4.475 1.00 1.00 H new ATOM 0 HA2 GLY A 70 5.299 -1.094 -3.410 1.00 1.00 H new ATOM 0 HA3 GLY A 70 3.825 -1.863 -2.857 1.00 1.00 H new ATOM 1114 N GLY A 71 5.028 -2.920 -0.652 1.00 1.00 N ATOM 1115 CA GLY A 71 5.374 -3.139 0.750 1.00 1.00 C ATOM 1116 C GLY A 71 4.127 -3.607 1.468 1.00 1.00 C ATOM 1117 O GLY A 71 3.367 -4.354 0.876 1.00 1.00 O ATOM 0 H GLY A 71 4.405 -3.648 -1.002 1.00 1.00 H new ATOM 0 HA2 GLY A 71 6.166 -3.883 0.836 1.00 1.00 H new ATOM 0 HA3 GLY A 71 5.750 -2.220 1.198 1.00 1.00 H new ATOM 1121 N TYR A 72 3.865 -3.106 2.670 1.00 1.00 N ATOM 1122 CA TYR A 72 2.731 -3.440 3.556 1.00 1.00 C ATOM 1123 C TYR A 72 1.450 -3.768 2.733 1.00 1.00 C ATOM 1124 O TYR A 72 0.993 -4.902 2.779 1.00 1.00 O ATOM 1125 CB TYR A 72 2.606 -2.236 4.508 1.00 1.00 C ATOM 1126 CG TYR A 72 1.665 -2.273 5.684 1.00 1.00 C ATOM 1127 CD1 TYR A 72 0.935 -3.438 6.015 1.00 1.00 C ATOM 1128 CD2 TYR A 72 1.811 -1.235 6.636 1.00 1.00 C ATOM 1129 CE1 TYR A 72 0.518 -3.641 7.346 1.00 1.00 C ATOM 1130 CE2 TYR A 72 1.371 -1.431 7.959 1.00 1.00 C ATOM 1131 CZ TYR A 72 0.817 -2.673 8.332 1.00 1.00 C ATOM 1132 OH TYR A 72 0.679 -2.969 9.642 1.00 1.00 O ATOM 0 H TYR A 72 4.476 -2.406 3.090 1.00 1.00 H new ATOM 0 HA TYR A 72 2.886 -4.349 4.137 1.00 1.00 H new ATOM 0 HB2 TYR A 72 3.602 -2.035 4.902 1.00 1.00 H new ATOM 0 HB3 TYR A 72 2.324 -1.376 3.900 1.00 1.00 H new ATOM 0 HD1 TYR A 72 0.699 -4.167 5.254 1.00 1.00 H new ATOM 0 HD2 TYR A 72 2.259 -0.295 6.348 1.00 1.00 H new ATOM 0 HE1 TYR A 72 -0.029 -4.534 7.612 1.00 1.00 H new ATOM 0 HE2 TYR A 72 1.457 -0.635 8.684 1.00 1.00 H new ATOM 0 HH TYR A 72 1.564 -3.029 10.059 1.00 1.00 H new ATOM 1142 N THR A 73 1.020 -2.857 1.846 1.00 1.00 N ATOM 1143 CA THR A 73 -0.058 -2.987 0.823 1.00 1.00 C ATOM 1144 C THR A 73 0.003 -4.232 -0.100 1.00 1.00 C ATOM 1145 O THR A 73 -0.929 -5.038 -0.145 1.00 1.00 O ATOM 1146 CB THR A 73 -0.128 -1.696 -0.043 1.00 1.00 C ATOM 1147 OG1 THR A 73 -0.933 -1.841 -1.193 1.00 1.00 O ATOM 1148 CG2 THR A 73 1.250 -1.157 -0.478 1.00 1.00 C ATOM 0 H THR A 73 1.445 -1.930 1.814 1.00 1.00 H new ATOM 0 HA THR A 73 -0.964 -3.131 1.412 1.00 1.00 H new ATOM 0 HB THR A 73 -0.586 -0.971 0.630 1.00 1.00 H new ATOM 0 HG1 THR A 73 -0.816 -1.061 -1.775 1.00 1.00 H new ATOM 0 HG21 THR A 73 1.116 -0.257 -1.078 1.00 1.00 H new ATOM 0 HG22 THR A 73 1.843 -0.920 0.405 1.00 1.00 H new ATOM 0 HG23 THR A 73 1.766 -1.913 -1.069 1.00 1.00 H new ATOM 1156 N ASP A 74 1.074 -4.381 -0.884 1.00 1.00 N ATOM 1157 CA ASP A 74 1.370 -5.483 -1.823 1.00 1.00 C ATOM 1158 C ASP A 74 1.701 -6.825 -1.114 1.00 1.00 C ATOM 1159 O ASP A 74 1.223 -7.883 -1.522 1.00 1.00 O ATOM 1160 CB ASP A 74 2.547 -5.049 -2.737 1.00 1.00 C ATOM 1161 CG ASP A 74 2.394 -5.316 -4.248 1.00 1.00 C ATOM 1162 OD1 ASP A 74 1.481 -6.076 -4.660 1.00 1.00 O ATOM 1163 OD2 ASP A 74 3.230 -4.785 -5.021 1.00 1.00 O ATOM 0 H ASP A 74 1.819 -3.684 -0.884 1.00 1.00 H new ATOM 0 HA ASP A 74 0.471 -5.671 -2.410 1.00 1.00 H new ATOM 0 HB2 ASP A 74 2.709 -3.980 -2.596 1.00 1.00 H new ATOM 0 HB3 ASP A 74 3.448 -5.556 -2.393 1.00 1.00 H new ATOM 1168 N PHE A 75 2.537 -6.755 -0.069 1.00 1.00 N ATOM 1169 CA PHE A 75 2.968 -7.793 0.893 1.00 1.00 C ATOM 1170 C PHE A 75 1.792 -8.455 1.644 1.00 1.00 C ATOM 1171 O PHE A 75 1.677 -9.674 1.603 1.00 1.00 O ATOM 1172 CB PHE A 75 3.996 -7.184 1.886 1.00 1.00 C ATOM 1173 CG PHE A 75 5.136 -8.070 2.354 1.00 1.00 C ATOM 1174 CD1 PHE A 75 6.207 -8.341 1.468 1.00 1.00 C ATOM 1175 CD2 PHE A 75 5.234 -8.465 3.709 1.00 1.00 C ATOM 1176 CE1 PHE A 75 7.391 -8.941 1.941 1.00 1.00 C ATOM 1177 CE2 PHE A 75 6.423 -9.063 4.184 1.00 1.00 C ATOM 1178 CZ PHE A 75 7.510 -9.267 3.307 1.00 1.00 C ATOM 0 H PHE A 75 2.983 -5.865 0.153 1.00 1.00 H new ATOM 0 HA PHE A 75 3.439 -8.593 0.321 1.00 1.00 H new ATOM 0 HB2 PHE A 75 4.429 -6.299 1.420 1.00 1.00 H new ATOM 0 HB3 PHE A 75 3.451 -6.846 2.767 1.00 1.00 H new ATOM 0 HD1 PHE A 75 6.116 -8.086 0.423 1.00 1.00 H new ATOM 0 HD2 PHE A 75 4.401 -8.310 4.379 1.00 1.00 H new ATOM 0 HE1 PHE A 75 8.203 -9.150 1.260 1.00 1.00 H new ATOM 0 HE2 PHE A 75 6.500 -9.364 5.218 1.00 1.00 H new ATOM 0 HZ PHE A 75 8.436 -9.674 3.684 1.00 1.00 H new ATOM 1188 N ALA A 76 0.895 -7.687 2.280 1.00 1.00 N ATOM 1189 CA ALA A 76 -0.355 -8.163 2.901 1.00 1.00 C ATOM 1190 C ALA A 76 -1.268 -8.913 1.904 1.00 1.00 C ATOM 1191 O ALA A 76 -1.760 -10.002 2.210 1.00 1.00 O ATOM 1192 CB ALA A 76 -1.080 -6.965 3.527 1.00 1.00 C ATOM 0 H ALA A 76 1.023 -6.680 2.381 1.00 1.00 H new ATOM 0 HA ALA A 76 -0.102 -8.889 3.673 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -2.007 -7.302 3.990 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -0.442 -6.508 4.283 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -1.307 -6.232 2.753 1.00 1.00 H new ATOM 1198 N ALA A 77 -1.478 -8.346 0.703 1.00 1.00 N ATOM 1199 CA ALA A 77 -2.179 -9.000 -0.407 1.00 1.00 C ATOM 1200 C ALA A 77 -1.476 -10.292 -0.896 1.00 1.00 C ATOM 1201 O ALA A 77 -2.133 -11.325 -1.008 1.00 1.00 O ATOM 1202 CB ALA A 77 -2.313 -7.950 -1.522 1.00 1.00 C ATOM 0 H ALA A 77 -1.158 -7.404 0.476 1.00 1.00 H new ATOM 0 HA ALA A 77 -3.160 -9.343 -0.077 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -2.830 -8.389 -2.375 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -2.882 -7.097 -1.152 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -1.322 -7.618 -1.831 1.00 1.00 H new ATOM 1208 N TRP A 78 -0.137 -10.313 -1.016 1.00 1.00 N ATOM 1209 CA TRP A 78 0.690 -11.503 -1.314 1.00 1.00 C ATOM 1210 C TRP A 78 0.531 -12.607 -0.246 1.00 1.00 C ATOM 1211 O TRP A 78 0.199 -13.746 -0.582 1.00 1.00 O ATOM 1212 CB TRP A 78 2.167 -11.086 -1.491 1.00 1.00 C ATOM 1213 CG TRP A 78 3.148 -12.215 -1.626 1.00 1.00 C ATOM 1214 CD1 TRP A 78 3.112 -13.187 -2.568 1.00 1.00 C ATOM 1215 CD2 TRP A 78 4.270 -12.549 -0.748 1.00 1.00 C ATOM 1216 NE1 TRP A 78 4.124 -14.101 -2.333 1.00 1.00 N ATOM 1217 CE2 TRP A 78 4.876 -13.754 -1.233 1.00 1.00 C ATOM 1218 CE3 TRP A 78 4.826 -11.973 0.423 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 5.981 -14.353 -0.602 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 5.941 -12.562 1.064 1.00 1.00 C ATOM 1221 CH2 TRP A 78 6.511 -13.752 0.559 1.00 1.00 C ATOM 0 H TRP A 78 0.425 -9.469 -0.904 1.00 1.00 H new ATOM 0 HA TRP A 78 0.336 -11.935 -2.250 1.00 1.00 H new ATOM 0 HB2 TRP A 78 2.244 -10.454 -2.376 1.00 1.00 H new ATOM 0 HB3 TRP A 78 2.458 -10.475 -0.636 1.00 1.00 H new ATOM 0 HD1 TRP A 78 2.401 -13.241 -3.379 1.00 1.00 H new ATOM 0 HE1 TRP A 78 4.292 -14.929 -2.904 1.00 1.00 H new ATOM 0 HE3 TRP A 78 4.392 -11.072 0.831 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 6.416 -15.258 -1.000 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 6.359 -12.099 1.945 1.00 1.00 H new ATOM 0 HH2 TRP A 78 7.354 -14.202 1.063 1.00 1.00 H new ATOM 1232 N VAL A 79 0.736 -12.260 1.030 1.00 1.00 N ATOM 1233 CA VAL A 79 0.495 -13.084 2.236 1.00 1.00 C ATOM 1234 C VAL A 79 -0.928 -13.664 2.245 1.00 1.00 C ATOM 1235 O VAL A 79 -1.060 -14.878 2.370 1.00 1.00 O ATOM 1236 CB VAL A 79 0.815 -12.292 3.533 1.00 1.00 C ATOM 1237 CG1 VAL A 79 0.316 -12.981 4.815 1.00 1.00 C ATOM 1238 CG2 VAL A 79 2.336 -12.088 3.685 1.00 1.00 C ATOM 0 H VAL A 79 1.098 -11.337 1.271 1.00 1.00 H new ATOM 0 HA VAL A 79 1.180 -13.931 2.204 1.00 1.00 H new ATOM 0 HB VAL A 79 0.291 -11.343 3.422 1.00 1.00 H new ATOM 0 HG11 VAL A 79 0.575 -12.371 5.680 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -0.766 -13.101 4.766 1.00 1.00 H new ATOM 0 HG13 VAL A 79 0.786 -13.960 4.908 1.00 1.00 H new ATOM 0 HG21 VAL A 79 2.539 -11.531 4.600 1.00 1.00 H new ATOM 0 HG22 VAL A 79 2.830 -13.058 3.734 1.00 1.00 H new ATOM 0 HG23 VAL A 79 2.716 -11.530 2.829 1.00 1.00 H new ATOM 1248 N LYS A 80 -1.984 -12.849 2.049 1.00 1.00 N ATOM 1249 CA LYS A 80 -3.396 -13.292 1.911 1.00 1.00 C ATOM 1250 C LYS A 80 -3.590 -14.308 0.767 1.00 1.00 C ATOM 1251 O LYS A 80 -3.997 -15.440 1.021 1.00 1.00 O ATOM 1252 CB LYS A 80 -4.344 -12.071 1.769 1.00 1.00 C ATOM 1253 CG LYS A 80 -5.829 -12.443 1.973 1.00 1.00 C ATOM 1254 CD LYS A 80 -6.830 -11.270 1.975 1.00 1.00 C ATOM 1255 CE LYS A 80 -7.275 -10.720 0.609 1.00 1.00 C ATOM 1256 NZ LYS A 80 -6.189 -10.040 -0.132 1.00 1.00 N ATOM 0 H LYS A 80 -1.881 -11.837 1.980 1.00 1.00 H new ATOM 0 HA LYS A 80 -3.660 -13.819 2.828 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -4.061 -11.310 2.496 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -4.217 -11.630 0.780 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -6.119 -13.140 1.186 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -5.922 -12.975 2.920 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -7.721 -11.588 2.517 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -6.388 -10.450 2.541 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -7.660 -11.540 0.003 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -8.097 -10.020 0.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -6.579 -9.229 -0.653 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -5.468 -9.706 0.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -5.756 -10.707 -0.803 1.00 1.00 H new ATOM 1270 N GLU A 81 -3.206 -13.943 -0.458 1.00 1.00 N ATOM 1271 CA GLU A 81 -3.168 -14.792 -1.670 1.00 1.00 C ATOM 1272 C GLU A 81 -2.289 -16.077 -1.549 1.00 1.00 C ATOM 1273 O GLU A 81 -2.352 -16.941 -2.433 1.00 1.00 O ATOM 1274 CB GLU A 81 -2.819 -13.942 -2.916 1.00 1.00 C ATOM 1275 CG GLU A 81 -3.974 -13.115 -3.524 1.00 1.00 C ATOM 1276 CD GLU A 81 -4.430 -11.875 -2.728 1.00 1.00 C ATOM 1277 OE1 GLU A 81 -5.170 -12.023 -1.728 1.00 1.00 O ATOM 1278 OE2 GLU A 81 -4.157 -10.726 -3.164 1.00 1.00 O ATOM 0 H GLU A 81 -2.893 -12.992 -0.651 1.00 1.00 H new ATOM 0 HA GLU A 81 -4.176 -15.188 -1.791 1.00 1.00 H new ATOM 0 HB2 GLU A 81 -2.012 -13.259 -2.650 1.00 1.00 H new ATOM 0 HB3 GLU A 81 -2.432 -14.608 -3.687 1.00 1.00 H new ATOM 0 HG2 GLU A 81 -3.672 -12.789 -4.519 1.00 1.00 H new ATOM 0 HG3 GLU A 81 -4.834 -13.773 -3.651 1.00 1.00 H new ATOM 1285 N ASN A 82 -1.436 -16.208 -0.521 1.00 1.00 N ATOM 1286 CA ASN A 82 -0.674 -17.420 -0.162 1.00 1.00 C ATOM 1287 C ASN A 82 -1.286 -18.244 0.996 1.00 1.00 C ATOM 1288 O ASN A 82 -1.544 -19.437 0.826 1.00 1.00 O ATOM 1289 CB ASN A 82 0.799 -17.042 0.115 1.00 1.00 C ATOM 1290 CG ASN A 82 1.619 -16.926 -1.150 1.00 1.00 C ATOM 1291 OD1 ASN A 82 2.470 -17.753 -1.441 1.00 1.00 O ATOM 1292 ND2 ASN A 82 1.410 -15.911 -1.941 1.00 1.00 N ATOM 0 H ASN A 82 -1.248 -15.434 0.116 1.00 1.00 H new ATOM 0 HA ASN A 82 -0.726 -18.089 -1.021 1.00 1.00 H new ATOM 0 HB2 ASN A 82 0.832 -16.094 0.653 1.00 1.00 H new ATOM 0 HB3 ASN A 82 1.247 -17.793 0.766 1.00 1.00 H new ATOM 0 HD21 ASN A 82 1.955 -15.811 -2.797 1.00 1.00 H new ATOM 0 HD22 ASN A 82 0.701 -15.217 -1.704 1.00 1.00 H new ATOM 1299 N LEU A 83 -1.424 -17.633 2.177 1.00 1.00 N ATOM 1300 CA LEU A 83 -1.849 -18.201 3.465 1.00 1.00 C ATOM 1301 C LEU A 83 -3.378 -18.358 3.584 1.00 1.00 C ATOM 1302 O LEU A 83 -3.894 -19.465 3.748 1.00 1.00 O ATOM 1303 CB LEU A 83 -1.281 -17.306 4.600 1.00 1.00 C ATOM 1304 CG LEU A 83 0.249 -17.057 4.623 1.00 1.00 C ATOM 1305 CD1 LEU A 83 0.673 -16.521 5.995 1.00 1.00 C ATOM 1306 CD2 LEU A 83 1.088 -18.300 4.313 1.00 1.00 C ATOM 0 H LEU A 83 -1.223 -16.637 2.266 1.00 1.00 H new ATOM 0 HA LEU A 83 -1.453 -19.213 3.545 1.00 1.00 H new ATOM 0 HB2 LEU A 83 -1.778 -16.337 4.544 1.00 1.00 H new ATOM 0 HB3 LEU A 83 -1.562 -17.754 5.553 1.00 1.00 H new ATOM 0 HG LEU A 83 0.438 -16.331 3.832 1.00 1.00 H new ATOM 0 HD11 LEU A 83 1.749 -16.349 6.002 1.00 1.00 H new ATOM 0 HD12 LEU A 83 0.155 -15.583 6.195 1.00 1.00 H new ATOM 0 HD13 LEU A 83 0.417 -17.249 6.765 1.00 1.00 H new ATOM 0 HD21 LEU A 83 2.147 -18.043 4.349 1.00 1.00 H new ATOM 0 HD22 LEU A 83 0.878 -19.074 5.051 1.00 1.00 H new ATOM 0 HD23 LEU A 83 0.838 -18.669 3.318 1.00 1.00 H new ATOM 1318 N ASP A 84 -4.110 -17.244 3.480 1.00 1.00 N ATOM 1319 CA ASP A 84 -5.578 -17.174 3.553 1.00 1.00 C ATOM 1320 C ASP A 84 -6.330 -17.728 2.313 1.00 1.00 C ATOM 1321 O ASP A 84 -7.520 -18.038 2.413 1.00 1.00 O ATOM 1322 CB ASP A 84 -5.988 -15.733 3.899 1.00 1.00 C ATOM 1323 CG ASP A 84 -5.304 -15.202 5.173 1.00 1.00 C ATOM 1324 OD1 ASP A 84 -5.491 -15.814 6.250 1.00 1.00 O ATOM 1325 OD2 ASP A 84 -4.560 -14.196 5.100 1.00 1.00 O ATOM 0 H ASP A 84 -3.682 -16.329 3.337 1.00 1.00 H new ATOM 0 HA ASP A 84 -5.892 -17.852 4.347 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -5.741 -15.080 3.062 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -7.069 -15.690 4.029 1.00 1.00 H new ATOM 1330 N ALA A 85 -5.618 -17.925 1.196 1.00 1.00 N ATOM 1331 CA ALA A 85 -5.991 -18.489 -0.114 1.00 1.00 C ATOM 1332 C ALA A 85 -6.646 -19.892 -0.073 1.00 1.00 C ATOM 1333 O ALA A 85 -5.938 -20.909 0.120 1.00 1.00 O ATOM 1334 CB ALA A 85 -4.710 -18.436 -0.966 1.00 1.00 C ATOM 1335 OXT ALA A 85 -7.881 -19.968 -0.254 1.00 1.00 O ATOM 0 H ALA A 85 -4.634 -17.657 1.187 1.00 1.00 H new ATOM 0 HA ALA A 85 -6.794 -17.896 -0.552 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -4.915 -18.841 -1.957 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -4.377 -17.402 -1.059 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -3.930 -19.027 -0.487 1.00 1.00 H new ATOM 1577 N GLU B 144 -0.880 1.747 1.939 1.00 1.00 N ATOM 1578 CA GLU B 144 -0.030 2.572 1.042 1.00 1.00 C ATOM 1579 C GLU B 144 -0.213 4.104 1.263 1.00 1.00 C ATOM 1580 O GLU B 144 -0.616 4.870 0.377 1.00 1.00 O ATOM 1581 CB GLU B 144 -0.067 2.167 -0.445 1.00 1.00 C ATOM 1582 CG GLU B 144 -1.393 1.712 -1.067 1.00 1.00 C ATOM 1583 CD GLU B 144 -1.154 1.371 -2.546 1.00 1.00 C ATOM 1584 OE1 GLU B 144 -0.608 0.281 -2.865 1.00 1.00 O ATOM 1585 OE2 GLU B 144 -1.398 2.249 -3.403 1.00 1.00 O ATOM 0 HA GLU B 144 0.987 2.337 1.354 1.00 1.00 H new ATOM 0 HB2 GLU B 144 0.292 3.017 -1.025 1.00 1.00 H new ATOM 0 HB3 GLU B 144 0.653 1.360 -0.583 1.00 1.00 H new ATOM 0 HG2 GLU B 144 -1.780 0.842 -0.537 1.00 1.00 H new ATOM 0 HG3 GLU B 144 -2.142 2.499 -0.977 1.00 1.00 H new ATOM 1592 N SER B 145 0.126 4.587 2.465 1.00 1.00 N ATOM 1593 CA SER B 145 0.143 6.016 2.850 1.00 1.00 C ATOM 1594 C SER B 145 1.364 6.462 3.679 1.00 1.00 C ATOM 1595 O SER B 145 1.916 5.707 4.481 1.00 1.00 O ATOM 1596 CB SER B 145 -1.153 6.349 3.618 1.00 1.00 C ATOM 1597 OG SER B 145 -1.594 7.652 3.299 1.00 1.00 O ATOM 0 H SER B 145 0.408 3.974 3.230 1.00 1.00 H new ATOM 0 HA SER B 145 0.215 6.571 1.915 1.00 1.00 H new ATOM 0 HB2 SER B 145 -1.928 5.625 3.367 1.00 1.00 H new ATOM 0 HB3 SER B 145 -0.978 6.270 4.691 1.00 1.00 H new ATOM 0 HG SER B 145 -2.418 7.848 3.792 1.00 1.00 H new ATOM 1603 N GLY B 146 1.831 7.688 3.438 1.00 1.00 N ATOM 1604 CA GLY B 146 2.860 8.420 4.203 1.00 1.00 C ATOM 1605 C GLY B 146 3.583 9.571 3.476 1.00 1.00 C ATOM 1606 O GLY B 146 4.295 10.328 4.136 1.00 1.00 O ATOM 0 H GLY B 146 1.482 8.238 2.653 1.00 1.00 H new ATOM 0 HA2 GLY B 146 2.391 8.826 5.099 1.00 1.00 H new ATOM 0 HA3 GLY B 146 3.611 7.703 4.533 1.00 1.00 H new ATOM 1610 N ALA B 147 3.481 9.683 2.139 1.00 1.00 N ATOM 1611 CA ALA B 147 4.058 10.748 1.269 1.00 1.00 C ATOM 1612 C ALA B 147 5.599 10.983 1.455 1.00 1.00 C ATOM 1613 O ALA B 147 6.159 12.020 1.096 1.00 1.00 O ATOM 1614 CB ALA B 147 3.205 12.022 1.431 1.00 1.00 C ATOM 0 H ALA B 147 2.963 8.994 1.594 1.00 1.00 H new ATOM 0 HA ALA B 147 4.005 10.412 0.233 1.00 1.00 H new ATOM 0 HB1 ALA B 147 3.611 12.814 0.802 1.00 1.00 H new ATOM 0 HB2 ALA B 147 2.178 11.812 1.133 1.00 1.00 H new ATOM 0 HB3 ALA B 147 3.222 12.341 2.473 1.00 1.00 H new ATOM 1620 N CYS B 148 6.271 9.980 2.027 1.00 1.00 N ATOM 1621 CA CYS B 148 7.648 9.889 2.517 1.00 1.00 C ATOM 1622 C CYS B 148 8.744 9.799 1.425 1.00 1.00 C ATOM 1623 O CYS B 148 8.675 8.990 0.495 1.00 1.00 O ATOM 1624 CB CYS B 148 7.616 8.655 3.434 1.00 1.00 C ATOM 1625 SG CYS B 148 8.948 8.334 4.605 1.00 1.00 S ATOM 0 H CYS B 148 5.794 9.091 2.177 1.00 1.00 H new ATOM 0 HA CYS B 148 7.940 10.807 3.026 1.00 1.00 H new ATOM 0 HB2 CYS B 148 6.691 8.708 4.009 1.00 1.00 H new ATOM 0 HB3 CYS B 148 7.540 7.780 2.789 1.00 1.00 H new ATOM 1630 N LYS B 149 9.814 10.584 1.626 1.00 1.00 N ATOM 1631 CA LYS B 149 10.974 10.904 0.746 1.00 1.00 C ATOM 1632 C LYS B 149 11.915 11.926 1.428 1.00 1.00 C ATOM 1633 O LYS B 149 11.523 12.559 2.413 1.00 1.00 O ATOM 1634 CB LYS B 149 10.466 11.519 -0.593 1.00 1.00 C ATOM 1635 CG LYS B 149 9.574 12.781 -0.428 1.00 1.00 C ATOM 1636 CD LYS B 149 9.035 13.384 -1.742 1.00 1.00 C ATOM 1637 CE LYS B 149 10.040 14.271 -2.483 1.00 1.00 C ATOM 1638 NZ LYS B 149 9.453 14.847 -3.718 1.00 1.00 N ATOM 0 H LYS B 149 9.908 11.075 2.515 1.00 1.00 H new ATOM 0 HA LYS B 149 11.520 9.980 0.557 1.00 1.00 H new ATOM 0 HB2 LYS B 149 11.327 11.777 -1.209 1.00 1.00 H new ATOM 0 HB3 LYS B 149 9.902 10.760 -1.135 1.00 1.00 H new ATOM 0 HG2 LYS B 149 8.727 12.526 0.210 1.00 1.00 H new ATOM 0 HG3 LYS B 149 10.148 13.546 0.095 1.00 1.00 H new ATOM 0 HD2 LYS B 149 8.727 12.573 -2.402 1.00 1.00 H new ATOM 0 HD3 LYS B 149 8.143 13.971 -1.521 1.00 1.00 H new ATOM 0 HE2 LYS B 149 10.369 15.076 -1.826 1.00 1.00 H new ATOM 0 HE3 LYS B 149 10.924 13.686 -2.738 1.00 1.00 H new ATOM 0 HZ1 LYS B 149 10.189 15.358 -4.247 1.00 1.00 H new ATOM 0 HZ2 LYS B 149 9.070 14.082 -4.310 1.00 1.00 H new ATOM 0 HZ3 LYS B 149 8.689 15.505 -3.465 1.00 1.00 H new ATOM 1652 N ILE B 150 13.158 12.072 0.945 1.00 1.00 N ATOM 1653 CA ILE B 150 14.109 13.135 1.380 1.00 1.00 C ATOM 1654 C ILE B 150 13.510 14.555 1.289 1.00 1.00 C ATOM 1655 O ILE B 150 12.680 14.833 0.398 1.00 1.00 O ATOM 1656 CB ILE B 150 15.475 12.996 0.664 1.00 1.00 C ATOM 1657 CG1 ILE B 150 16.570 13.899 1.276 1.00 1.00 C ATOM 1658 CG2 ILE B 150 15.349 13.318 -0.835 1.00 1.00 C ATOM 1659 CD1 ILE B 150 16.978 13.542 2.713 1.00 1.00 C ATOM 1660 OXT ILE B 150 13.782 15.350 2.211 1.00 1.00 O ATOM 0 H ILE B 150 13.546 11.454 0.233 1.00 1.00 H new ATOM 0 HA ILE B 150 14.297 12.982 2.443 1.00 1.00 H new ATOM 0 HB ILE B 150 15.776 11.957 0.801 1.00 1.00 H new ATOM 0 HG12 ILE B 150 17.455 13.853 0.641 1.00 1.00 H new ATOM 0 HG13 ILE B 150 16.220 14.931 1.260 1.00 1.00 H new ATOM 0 HG21 ILE B 150 16.323 13.212 -1.313 1.00 1.00 H new ATOM 0 HG22 ILE B 150 14.642 12.629 -1.297 1.00 1.00 H new ATOM 0 HG23 ILE B 150 14.993 14.341 -0.959 1.00 1.00 H new ATOM 0 HD11 ILE B 150 17.751 14.231 3.054 1.00 1.00 H new ATOM 0 HD12 ILE B 150 16.110 13.618 3.367 1.00 1.00 H new ATOM 0 HD13 ILE B 150 17.364 12.523 2.739 1.00 1.00 H new