USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 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 15 CYS SG : rot -160:sc= -0.0771 USER MOD Set 1.2: A 59 TYR OH : rot -104:sc= 0.516 USER MOD Set 2.1: A 20 SER OG : rot 85:sc= 1.11 USER MOD Set 2.2: A 31 TYR OH : rot -8:sc= 1.22 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 90:sc= 0.0877 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0244 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HE2:sc= 0.0571 K(o=0.057,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0.853 (180deg=0.663) USER MOD Single : A 17 MET CE :methyl -151:sc= -0.143 (180deg=-0.985) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0918 X(o=-0.092,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.994) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.288 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0257 F(o=-1.1,f=-0.026) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00381 X(o=-0.0038,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 11.371 4.288 2.823 1.00 0.00 N ATOM 19 CA ARG A 2 9.920 4.198 2.854 1.00 0.00 C ATOM 20 C ARG A 2 9.355 5.025 1.713 1.00 0.00 C ATOM 21 O ARG A 2 10.040 5.903 1.190 1.00 0.00 O ATOM 22 CB ARG A 2 9.381 4.585 4.246 1.00 0.00 C ATOM 23 CG ARG A 2 9.156 6.079 4.498 1.00 0.00 C ATOM 24 CD ARG A 2 9.280 6.499 5.968 1.00 0.00 C ATOM 25 NE ARG A 2 8.085 6.145 6.755 1.00 0.00 N ATOM 26 CZ ARG A 2 6.969 6.879 6.832 1.00 0.00 C ATOM 27 NH1 ARG A 2 6.879 8.026 6.167 1.00 0.00 N ATOM 28 NH2 ARG A 2 5.948 6.448 7.559 1.00 0.00 N ATOM 0 HA ARG A 2 9.589 3.171 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.435 4.066 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.077 4.213 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.876 6.647 3.909 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.164 6.351 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.156 6.021 6.407 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.443 7.575 6.023 1.00 0.00 H new ATOM 0 HE ARG A 2 8.111 5.272 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.661 8.348 5.597 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.028 8.585 6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.015 5.560 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.095 7.004 7.621 1.00 0.00 H new ATOM 42 N TYR A 3 8.114 4.742 1.335 1.00 0.00 N ATOM 43 CA TYR A 3 7.459 5.368 0.202 1.00 0.00 C ATOM 44 C TYR A 3 6.001 5.570 0.571 1.00 0.00 C ATOM 45 O TYR A 3 5.423 4.724 1.254 1.00 0.00 O ATOM 46 CB TYR A 3 7.593 4.475 -1.040 1.00 0.00 C ATOM 47 CG TYR A 3 9.026 4.090 -1.362 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.846 4.968 -2.095 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.553 2.871 -0.891 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.186 4.632 -2.360 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.883 2.519 -1.181 1.00 0.00 C ATOM 52 CZ TYR A 3 11.704 3.395 -1.922 1.00 0.00 C ATOM 53 OH TYR A 3 12.977 3.041 -2.233 1.00 0.00 O ATOM 0 H TYR A 3 7.529 4.060 1.817 1.00 0.00 H new ATOM 0 HA TYR A 3 7.919 6.328 -0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.007 3.568 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.164 4.993 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.445 5.904 -2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.934 2.206 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.819 5.321 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.277 1.575 -0.835 1.00 0.00 H new ATOM 0 HH TYR A 3 13.174 2.159 -1.853 1.00 0.00 H new ATOM 63 N VAL A 4 5.404 6.671 0.124 1.00 0.00 N ATOM 64 CA VAL A 4 4.025 7.046 0.364 1.00 0.00 C ATOM 65 C VAL A 4 3.289 6.810 -0.943 1.00 0.00 C ATOM 66 O VAL A 4 3.678 7.353 -1.973 1.00 0.00 O ATOM 67 CB VAL A 4 3.960 8.491 0.897 1.00 0.00 C ATOM 68 CG1 VAL A 4 4.439 9.602 -0.041 1.00 0.00 C ATOM 69 CG2 VAL A 4 2.547 8.836 1.372 1.00 0.00 C ATOM 0 H VAL A 4 5.900 7.358 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 4 3.542 6.451 1.139 1.00 0.00 H new ATOM 0 HB VAL A 4 4.679 8.474 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.340 10.567 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.484 9.433 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.835 9.598 -0.948 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.528 9.861 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.850 8.738 0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.256 8.155 2.172 1.00 0.00 H new ATOM 79 N LEU A 5 2.299 5.924 -0.921 1.00 0.00 N ATOM 80 CA LEU A 5 1.543 5.474 -2.076 1.00 0.00 C ATOM 81 C LEU A 5 0.131 6.003 -1.903 1.00 0.00 C ATOM 82 O LEU A 5 -0.408 5.974 -0.792 1.00 0.00 O ATOM 83 CB LEU A 5 1.479 3.946 -2.136 1.00 0.00 C ATOM 84 CG LEU A 5 2.816 3.192 -2.189 1.00 0.00 C ATOM 85 CD1 LEU A 5 3.543 3.079 -0.862 1.00 0.00 C ATOM 86 CD2 LEU A 5 2.556 1.794 -2.762 1.00 0.00 C ATOM 0 H LEU A 5 1.990 5.482 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 5 2.017 5.831 -2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.927 3.596 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.897 3.666 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 5 3.481 3.779 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.475 2.531 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.763 4.076 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.914 2.548 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.493 1.240 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.852 1.263 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.137 1.884 -3.764 1.00 0.00 H new ATOM 98 N TYR A 6 -0.489 6.428 -2.992 1.00 0.00 N ATOM 99 CA TYR A 6 -1.846 6.918 -2.998 1.00 0.00 C ATOM 100 C TYR A 6 -2.729 5.852 -3.624 1.00 0.00 C ATOM 101 O TYR A 6 -2.702 5.649 -4.839 1.00 0.00 O ATOM 102 CB TYR A 6 -1.913 8.259 -3.732 1.00 0.00 C ATOM 103 CG TYR A 6 -3.256 8.939 -3.579 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.860 9.066 -2.312 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.897 9.474 -4.705 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.104 9.697 -2.176 1.00 0.00 C ATOM 107 CE2 TYR A 6 -5.151 10.084 -4.582 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.757 10.203 -3.315 1.00 0.00 C ATOM 109 OH TYR A 6 -6.870 10.960 -3.177 1.00 0.00 O ATOM 0 H TYR A 6 -0.049 6.440 -3.912 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.206 7.106 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.131 8.917 -3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.709 8.100 -4.791 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.360 8.674 -1.439 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.421 9.415 -5.673 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.559 9.794 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.655 10.464 -5.459 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.194 11.229 -4.062 1.00 0.00 H new ATOM 119 N VAL A 7 -3.455 5.121 -2.788 1.00 0.00 N ATOM 120 CA VAL A 7 -4.337 4.037 -3.183 1.00 0.00 C ATOM 121 C VAL A 7 -5.788 4.488 -2.944 1.00 0.00 C ATOM 122 O VAL A 7 -6.344 4.217 -1.877 1.00 0.00 O ATOM 123 CB VAL A 7 -3.942 2.731 -2.465 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.704 1.545 -3.081 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.418 2.503 -2.487 1.00 0.00 C ATOM 0 H VAL A 7 -3.443 5.275 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.242 3.808 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.225 2.817 -1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.421 0.625 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.777 1.705 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.456 1.463 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.182 1.572 -1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.074 2.443 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.919 3.332 -1.986 1.00 0.00 H new ATOM 135 N PRO A 8 -6.427 5.192 -3.895 1.00 0.00 N ATOM 136 CA PRO A 8 -7.804 5.651 -3.732 1.00 0.00 C ATOM 137 C PRO A 8 -8.801 4.505 -3.540 1.00 0.00 C ATOM 138 O PRO A 8 -9.857 4.711 -2.944 1.00 0.00 O ATOM 139 CB PRO A 8 -8.120 6.507 -4.959 1.00 0.00 C ATOM 140 CG PRO A 8 -7.150 5.971 -6.005 1.00 0.00 C ATOM 141 CD PRO A 8 -5.920 5.577 -5.200 1.00 0.00 C ATOM 0 HA PRO A 8 -7.903 6.235 -2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.157 6.394 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.959 7.567 -4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.569 5.117 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.912 6.727 -6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.386 4.753 -5.674 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.219 6.407 -5.121 1.00 0.00 H new ATOM 149 N ASP A 9 -8.431 3.289 -3.943 1.00 0.00 N ATOM 150 CA ASP A 9 -9.234 2.078 -3.812 1.00 0.00 C ATOM 151 C ASP A 9 -9.489 1.705 -2.353 1.00 0.00 C ATOM 152 O ASP A 9 -10.340 0.866 -2.066 1.00 0.00 O ATOM 153 CB ASP A 9 -8.558 0.922 -4.568 1.00 0.00 C ATOM 154 CG ASP A 9 -8.694 1.106 -6.076 1.00 0.00 C ATOM 155 OD1 ASP A 9 -9.799 0.830 -6.596 1.00 0.00 O ATOM 156 OD2 ASP A 9 -7.724 1.600 -6.693 1.00 0.00 O ATOM 0 H ASP A 9 -7.529 3.117 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.210 2.275 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.503 0.872 -4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.008 -0.025 -4.271 1.00 0.00 H new ATOM 161 N ILE A 10 -8.822 2.353 -1.389 1.00 0.00 N ATOM 162 CA ILE A 10 -9.105 2.178 0.032 1.00 0.00 C ATOM 163 C ILE A 10 -10.470 2.825 0.401 1.00 0.00 C ATOM 164 O ILE A 10 -10.840 2.868 1.569 1.00 0.00 O ATOM 165 CB ILE A 10 -7.929 2.676 0.914 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.580 2.092 0.465 1.00 0.00 C ATOM 167 CG2 ILE A 10 -8.064 2.208 2.387 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.387 2.895 0.996 1.00 0.00 C ATOM 0 H ILE A 10 -8.069 3.015 -1.579 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.197 1.112 0.241 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.965 3.761 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.502 1.061 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.542 2.069 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -7.219 2.580 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.991 2.596 2.808 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.077 1.119 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.459 2.440 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.447 3.920 0.631 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.406 2.897 2.086 1.00 0.00 H new ATOM 180 N SER A 11 -11.266 3.319 -0.551 1.00 0.00 N ATOM 181 CA SER A 11 -12.566 3.957 -0.344 1.00 0.00 C ATOM 182 C SER A 11 -13.631 3.071 0.320 1.00 0.00 C ATOM 183 O SER A 11 -14.747 3.545 0.544 1.00 0.00 O ATOM 184 CB SER A 11 -13.068 4.521 -1.680 1.00 0.00 C ATOM 185 OG SER A 11 -12.489 5.795 -1.876 1.00 0.00 O ATOM 0 H SER A 11 -11.007 3.282 -1.537 1.00 0.00 H new ATOM 0 HA SER A 11 -12.402 4.759 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.799 3.853 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.155 4.596 -1.675 1.00 0.00 H new ATOM 0 HG SER A 11 -11.638 5.698 -2.351 1.00 0.00 H new ATOM 191 N CYS A 12 -13.320 1.836 0.720 1.00 0.00 N ATOM 192 CA CYS A 12 -14.116 1.105 1.702 1.00 0.00 C ATOM 193 C CYS A 12 -13.209 0.524 2.795 1.00 0.00 C ATOM 194 O CYS A 12 -12.055 0.193 2.547 1.00 0.00 O ATOM 195 CB CYS A 12 -14.939 0.029 0.975 1.00 0.00 C ATOM 196 SG CYS A 12 -16.211 -0.700 2.047 1.00 0.00 S ATOM 0 H CYS A 12 -12.513 1.319 0.373 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.813 1.775 2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -15.413 0.468 0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -14.273 -0.756 0.618 1.00 0.00 H new ATOM 0 HG CYS A 12 -16.876 -1.598 1.383 1.00 0.00 H new ATOM 202 N ASN A 13 -13.741 0.313 4.000 1.00 0.00 N ATOM 203 CA ASN A 13 -13.031 -0.306 5.126 1.00 0.00 C ATOM 204 C ASN A 13 -12.447 -1.667 4.755 1.00 0.00 C ATOM 205 O ASN A 13 -11.297 -1.952 5.078 1.00 0.00 O ATOM 206 CB ASN A 13 -13.976 -0.466 6.328 1.00 0.00 C ATOM 207 CG ASN A 13 -13.792 0.612 7.376 1.00 0.00 C ATOM 208 OD1 ASN A 13 -13.653 0.316 8.556 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.788 1.867 6.976 1.00 0.00 N ATOM 0 H ASN A 13 -14.701 0.573 4.228 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.206 0.356 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -15.008 -0.450 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.810 -1.441 6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.667 2.618 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.906 2.087 5.987 1.00 0.00 H new ATOM 216 N HIS A 14 -13.202 -2.492 4.025 1.00 0.00 N ATOM 217 CA HIS A 14 -12.732 -3.805 3.579 1.00 0.00 C ATOM 218 C HIS A 14 -11.486 -3.685 2.686 1.00 0.00 C ATOM 219 O HIS A 14 -10.685 -4.618 2.601 1.00 0.00 O ATOM 220 CB HIS A 14 -13.885 -4.534 2.870 1.00 0.00 C ATOM 221 CG HIS A 14 -13.691 -6.024 2.703 1.00 0.00 C ATOM 222 ND1 HIS A 14 -12.704 -6.640 1.971 1.00 0.00 N ATOM 223 CD2 HIS A 14 -14.517 -7.008 3.182 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.960 -7.958 1.969 1.00 0.00 C ATOM 225 NE2 HIS A 14 -14.028 -8.243 2.738 1.00 0.00 N ATOM 0 H HIS A 14 -14.152 -2.270 3.728 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.426 -4.393 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.803 -4.363 3.432 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.026 -4.088 1.885 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.919 -6.179 1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -15.393 -6.857 3.795 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.386 -8.692 1.423 1.00 0.00 H new ATOM 233 N CYS A 15 -11.294 -2.536 2.037 1.00 0.00 N ATOM 234 CA CYS A 15 -10.153 -2.264 1.190 1.00 0.00 C ATOM 235 C CYS A 15 -8.873 -2.013 1.994 1.00 0.00 C ATOM 236 O CYS A 15 -7.793 -2.389 1.533 1.00 0.00 O ATOM 237 CB CYS A 15 -10.484 -1.094 0.267 1.00 0.00 C ATOM 238 SG CYS A 15 -12.026 -1.354 -0.661 1.00 0.00 S ATOM 0 H CYS A 15 -11.949 -1.756 2.093 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.950 -3.149 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.569 -0.182 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.663 -0.945 -0.434 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.047 -0.568 -1.696 1.00 0.00 H new ATOM 244 N LYS A 16 -8.970 -1.449 3.208 1.00 0.00 N ATOM 245 CA LYS A 16 -7.822 -1.331 4.118 1.00 0.00 C ATOM 246 C LYS A 16 -7.250 -2.724 4.388 1.00 0.00 C ATOM 247 O LYS A 16 -6.051 -2.934 4.181 1.00 0.00 O ATOM 248 CB LYS A 16 -8.197 -0.534 5.391 1.00 0.00 C ATOM 249 CG LYS A 16 -7.100 -0.522 6.478 1.00 0.00 C ATOM 250 CD LYS A 16 -7.188 0.698 7.421 1.00 0.00 C ATOM 251 CE LYS A 16 -6.166 0.579 8.568 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.025 1.814 9.382 1.00 0.00 N ATOM 0 H LYS A 16 -9.838 -1.066 3.583 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.027 -0.748 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.424 0.494 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.108 -0.956 5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.173 -1.435 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.122 -0.531 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.004 1.613 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.195 0.774 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.462 -0.242 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.194 0.319 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.543 1.588 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.466 2.515 8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.967 2.205 9.586 1.00 0.00 H new ATOM 266 N MET A 17 -8.113 -3.688 4.730 1.00 0.00 N ATOM 267 CA MET A 17 -7.724 -5.090 4.844 1.00 0.00 C ATOM 268 C MET A 17 -7.030 -5.597 3.586 1.00 0.00 C ATOM 269 O MET A 17 -5.963 -6.189 3.706 1.00 0.00 O ATOM 270 CB MET A 17 -8.911 -6.005 5.161 1.00 0.00 C ATOM 271 CG MET A 17 -9.064 -6.313 6.649 1.00 0.00 C ATOM 272 SD MET A 17 -8.981 -8.071 7.084 1.00 0.00 S ATOM 273 CE MET A 17 -10.273 -8.700 5.988 1.00 0.00 C ATOM 0 H MET A 17 -9.097 -3.514 4.934 1.00 0.00 H new ATOM 0 HA MET A 17 -7.023 -5.127 5.678 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.827 -5.537 4.799 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.794 -6.941 4.615 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.285 -5.782 7.196 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.020 -5.915 6.990 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.727 -9.586 6.432 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.035 -7.934 5.847 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.837 -8.960 5.023 1.00 0.00 H new ATOM 283 N ARG A 18 -7.623 -5.417 2.395 1.00 0.00 N ATOM 284 CA ARG A 18 -7.142 -6.084 1.181 1.00 0.00 C ATOM 285 C ARG A 18 -5.660 -5.824 0.952 1.00 0.00 C ATOM 286 O ARG A 18 -4.907 -6.770 0.739 1.00 0.00 O ATOM 287 CB ARG A 18 -7.934 -5.660 -0.062 1.00 0.00 C ATOM 288 CG ARG A 18 -9.425 -6.031 -0.006 1.00 0.00 C ATOM 289 CD ARG A 18 -9.865 -6.611 -1.345 1.00 0.00 C ATOM 290 NE ARG A 18 -11.320 -6.653 -1.529 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.903 -7.137 -2.630 1.00 0.00 C ATOM 292 NH1 ARG A 18 -11.181 -7.676 -3.607 1.00 0.00 N ATOM 293 NH2 ARG A 18 -13.222 -7.075 -2.732 1.00 0.00 N ATOM 0 H ARG A 18 -8.434 -4.816 2.250 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.295 -7.152 1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.842 -4.581 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.487 -6.123 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.599 -6.756 0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.020 -5.149 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.425 -6.019 -2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.468 -7.622 -1.439 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.915 -6.296 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.166 -7.725 -3.523 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.642 -8.041 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.773 -6.664 -1.979 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.687 -7.439 -3.564 1.00 0.00 H new ATOM 307 N ILE A 19 -5.256 -4.555 1.029 1.00 0.00 N ATOM 308 CA ILE A 19 -3.867 -4.147 0.882 1.00 0.00 C ATOM 309 C ILE A 19 -3.024 -4.878 1.916 1.00 0.00 C ATOM 310 O ILE A 19 -2.131 -5.641 1.552 1.00 0.00 O ATOM 311 CB ILE A 19 -3.742 -2.614 0.985 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.500 -1.961 -0.186 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.264 -2.192 1.002 1.00 0.00 C ATOM 314 CD1 ILE A 19 -4.462 -0.442 -0.119 1.00 0.00 C ATOM 0 H ILE A 19 -5.894 -3.777 1.197 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.495 -4.419 -0.106 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.187 -2.275 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.064 -2.292 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.537 -2.298 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.196 -1.107 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.766 -2.645 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.780 -2.525 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.009 -0.027 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.922 -0.107 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.427 -0.102 -0.154 1.00 0.00 H new ATOM 326 N SER A 20 -3.295 -4.647 3.201 1.00 0.00 N ATOM 327 CA SER A 20 -2.442 -5.155 4.259 1.00 0.00 C ATOM 328 C SER A 20 -2.329 -6.655 4.222 1.00 0.00 C ATOM 329 O SER A 20 -1.257 -7.167 4.510 1.00 0.00 O ATOM 330 CB SER A 20 -3.015 -4.778 5.594 1.00 0.00 C ATOM 331 OG SER A 20 -2.162 -5.026 6.686 1.00 0.00 O ATOM 0 H SER A 20 -4.099 -4.111 3.527 1.00 0.00 H new ATOM 0 HA SER A 20 -1.455 -4.718 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.268 -3.718 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.945 -5.326 5.744 1.00 0.00 H new ATOM 0 HG SER A 20 -1.554 -4.267 6.805 1.00 0.00 H new ATOM 337 N LYS A 21 -3.414 -7.356 3.908 1.00 0.00 N ATOM 338 CA LYS A 21 -3.405 -8.798 3.948 1.00 0.00 C ATOM 339 C LYS A 21 -2.292 -9.319 3.029 1.00 0.00 C ATOM 340 O LYS A 21 -1.554 -10.231 3.384 1.00 0.00 O ATOM 341 CB LYS A 21 -4.804 -9.310 3.577 1.00 0.00 C ATOM 342 CG LYS A 21 -4.845 -10.824 3.342 1.00 0.00 C ATOM 343 CD LYS A 21 -6.277 -11.357 3.454 1.00 0.00 C ATOM 344 CE LYS A 21 -6.297 -12.802 2.957 1.00 0.00 C ATOM 345 NZ LYS A 21 -7.585 -13.473 3.204 1.00 0.00 N ATOM 0 H LYS A 21 -4.303 -6.943 3.625 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.184 -9.174 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.502 -9.053 4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.145 -8.799 2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.444 -11.054 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.208 -11.326 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.620 -11.307 4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.957 -10.744 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.084 -12.817 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.501 -13.361 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.542 -14.449 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.779 -13.486 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.344 -12.958 2.714 1.00 0.00 H new ATOM 359 N ALA A 22 -2.159 -8.707 1.853 1.00 0.00 N ATOM 360 CA ALA A 22 -1.119 -9.017 0.894 1.00 0.00 C ATOM 361 C ALA A 22 0.235 -8.394 1.269 1.00 0.00 C ATOM 362 O ALA A 22 1.261 -9.000 0.967 1.00 0.00 O ATOM 363 CB ALA A 22 -1.598 -8.532 -0.474 1.00 0.00 C ATOM 0 H ALA A 22 -2.788 -7.967 1.541 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.946 -10.093 0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.837 -8.749 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.524 -9.043 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.775 -7.457 -0.438 1.00 0.00 H new ATOM 369 N LEU A 23 0.271 -7.209 1.897 1.00 0.00 N ATOM 370 CA LEU A 23 1.497 -6.557 2.370 1.00 0.00 C ATOM 371 C LEU A 23 2.194 -7.414 3.418 1.00 0.00 C ATOM 372 O LEU A 23 3.400 -7.613 3.353 1.00 0.00 O ATOM 373 CB LEU A 23 1.192 -5.188 3.005 1.00 0.00 C ATOM 374 CG LEU A 23 0.879 -4.030 2.048 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.737 -2.746 2.872 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.978 -3.839 1.002 1.00 0.00 C ATOM 0 H LEU A 23 -0.571 -6.667 2.093 1.00 0.00 H new ATOM 0 HA LEU A 23 2.141 -6.425 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.344 -5.309 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.047 -4.900 3.617 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.044 -4.262 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.514 -1.911 2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.073 -2.863 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.669 -2.549 3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.715 -3.009 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.922 -3.622 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.081 -4.750 0.412 1.00 0.00 H new ATOM 388 N GLU A 24 1.449 -7.895 4.402 1.00 0.00 N ATOM 389 CA GLU A 24 1.940 -8.733 5.486 1.00 0.00 C ATOM 390 C GLU A 24 2.639 -9.970 4.915 1.00 0.00 C ATOM 391 O GLU A 24 3.782 -10.253 5.272 1.00 0.00 O ATOM 392 CB GLU A 24 0.757 -9.078 6.401 1.00 0.00 C ATOM 393 CG GLU A 24 0.201 -7.832 7.119 1.00 0.00 C ATOM 394 CD GLU A 24 0.856 -7.538 8.462 1.00 0.00 C ATOM 395 OE1 GLU A 24 2.068 -7.758 8.636 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.123 -7.025 9.342 1.00 0.00 O ATOM 0 H GLU A 24 0.449 -7.705 4.470 1.00 0.00 H new ATOM 0 HA GLU A 24 2.687 -8.210 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.035 -9.540 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.073 -9.812 7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.327 -6.966 6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.870 -7.963 7.271 1.00 0.00 H new ATOM 403 N GLU A 25 2.012 -10.670 3.961 1.00 0.00 N ATOM 404 CA GLU A 25 2.622 -11.850 3.356 1.00 0.00 C ATOM 405 C GLU A 25 3.790 -11.467 2.447 1.00 0.00 C ATOM 406 O GLU A 25 4.667 -12.289 2.193 1.00 0.00 O ATOM 407 CB GLU A 25 1.594 -12.678 2.578 1.00 0.00 C ATOM 408 CG GLU A 25 0.494 -13.251 3.480 1.00 0.00 C ATOM 409 CD GLU A 25 -0.082 -14.534 2.881 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.891 -14.452 1.921 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.300 -15.641 3.321 1.00 0.00 O ATOM 0 H GLU A 25 1.088 -10.438 3.596 1.00 0.00 H new ATOM 0 HA GLU A 25 3.007 -12.464 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.139 -12.055 1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.103 -13.496 2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.899 -13.456 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.300 -12.515 3.607 1.00 0.00 H new ATOM 418 N LEU A 26 3.879 -10.207 2.016 1.00 0.00 N ATOM 419 CA LEU A 26 5.028 -9.650 1.306 1.00 0.00 C ATOM 420 C LEU A 26 6.289 -9.629 2.187 1.00 0.00 C ATOM 421 O LEU A 26 7.382 -9.308 1.713 1.00 0.00 O ATOM 422 CB LEU A 26 4.675 -8.235 0.807 1.00 0.00 C ATOM 423 CG LEU A 26 4.984 -7.993 -0.676 1.00 0.00 C ATOM 424 CD1 LEU A 26 4.246 -6.737 -1.133 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.465 -7.808 -0.996 1.00 0.00 C ATOM 0 H LEU A 26 3.131 -9.528 2.156 1.00 0.00 H new ATOM 0 HA LEU A 26 5.255 -10.289 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.614 -8.056 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.222 -7.505 1.404 1.00 0.00 H new ATOM 0 HG LEU A 26 4.658 -8.892 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.458 -6.554 -2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.173 -6.875 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.579 -5.884 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.588 -7.643 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.851 -6.948 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.015 -8.702 -0.701 1.00 0.00 H new ATOM 437 N GLY A 27 6.164 -9.965 3.476 1.00 0.00 N ATOM 438 CA GLY A 27 7.253 -9.875 4.428 1.00 0.00 C ATOM 439 C GLY A 27 7.571 -8.414 4.709 1.00 0.00 C ATOM 440 O GLY A 27 8.729 -8.082 4.969 1.00 0.00 O ATOM 0 H GLY A 27 5.293 -10.309 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.982 -10.382 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.135 -10.380 4.034 1.00 0.00 H new ATOM 444 N VAL A 28 6.579 -7.522 4.606 1.00 0.00 N ATOM 445 CA VAL A 28 6.724 -6.173 5.116 1.00 0.00 C ATOM 446 C VAL A 28 6.855 -6.282 6.641 1.00 0.00 C ATOM 447 O VAL A 28 6.226 -7.142 7.268 1.00 0.00 O ATOM 448 CB VAL A 28 5.520 -5.311 4.667 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.279 -5.542 5.530 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.876 -3.822 4.629 1.00 0.00 C ATOM 0 H VAL A 28 5.676 -7.718 4.175 1.00 0.00 H new ATOM 0 HA VAL A 28 7.611 -5.676 4.723 1.00 0.00 H new ATOM 0 HB VAL A 28 5.277 -5.633 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.464 -4.913 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.983 -6.589 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.504 -5.289 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.006 -3.248 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.181 -3.495 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.695 -3.661 3.927 1.00 0.00 H new ATOM 460 N LYS A 29 7.590 -5.355 7.247 1.00 0.00 N ATOM 461 CA LYS A 29 7.590 -5.148 8.698 1.00 0.00 C ATOM 462 C LYS A 29 6.958 -3.818 9.072 1.00 0.00 C ATOM 463 O LYS A 29 6.522 -3.658 10.207 1.00 0.00 O ATOM 464 CB LYS A 29 9.028 -5.233 9.238 1.00 0.00 C ATOM 465 CG LYS A 29 9.435 -6.635 9.730 1.00 0.00 C ATOM 466 CD LYS A 29 10.718 -7.120 9.052 1.00 0.00 C ATOM 467 CE LYS A 29 10.384 -7.893 7.771 1.00 0.00 C ATOM 468 NZ LYS A 29 11.576 -8.261 6.982 1.00 0.00 N ATOM 0 H LYS A 29 8.209 -4.719 6.744 1.00 0.00 H new ATOM 0 HA LYS A 29 6.989 -5.935 9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.718 -4.921 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.138 -4.525 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.579 -6.614 10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.628 -7.340 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.356 -6.269 8.815 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.279 -7.759 9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.837 -8.799 8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.720 -7.288 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.282 -8.780 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 12.087 -7.399 6.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.200 -8.863 7.556 1.00 0.00 H new ATOM 482 N ASN A 30 6.888 -2.850 8.160 1.00 0.00 N ATOM 483 CA ASN A 30 6.557 -1.484 8.511 1.00 0.00 C ATOM 484 C ASN A 30 5.769 -0.908 7.361 1.00 0.00 C ATOM 485 O ASN A 30 6.272 -0.833 6.240 1.00 0.00 O ATOM 486 CB ASN A 30 7.841 -0.685 8.770 1.00 0.00 C ATOM 487 CG ASN A 30 8.227 -0.723 10.228 1.00 0.00 C ATOM 488 OD1 ASN A 30 9.258 -1.277 10.596 1.00 0.00 O ATOM 489 ND2 ASN A 30 7.405 -0.132 11.067 1.00 0.00 N ATOM 0 H ASN A 30 7.059 -2.996 7.165 1.00 0.00 H new ATOM 0 HA ASN A 30 5.964 -1.440 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.652 -1.091 8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.698 0.349 8.457 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.615 -0.123 12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.558 0.317 10.720 1.00 0.00 H new ATOM 496 N TYR A 31 4.513 -0.576 7.619 1.00 0.00 N ATOM 497 CA TYR A 31 3.586 -0.063 6.636 1.00 0.00 C ATOM 498 C TYR A 31 2.450 0.648 7.366 1.00 0.00 C ATOM 499 O TYR A 31 2.362 0.588 8.596 1.00 0.00 O ATOM 500 CB TYR A 31 3.061 -1.221 5.778 1.00 0.00 C ATOM 501 CG TYR A 31 2.147 -2.178 6.533 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.682 -3.231 7.298 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.759 -1.945 6.558 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.846 -4.049 8.080 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.073 -2.713 7.390 1.00 0.00 C ATOM 506 CZ TYR A 31 0.466 -3.764 8.164 1.00 0.00 C ATOM 507 OH TYR A 31 -0.346 -4.478 8.994 1.00 0.00 O ATOM 0 H TYR A 31 4.103 -0.661 8.549 1.00 0.00 H new ATOM 0 HA TYR A 31 4.078 0.649 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.519 -0.813 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.908 -1.780 5.380 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.746 -3.413 7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.332 -1.173 5.935 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.259 -4.892 8.614 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.130 -2.498 7.438 1.00 0.00 H new ATOM 0 HH TYR A 31 0.152 -5.235 9.367 1.00 0.00 H new ATOM 517 N GLU A 32 1.567 1.297 6.614 1.00 0.00 N ATOM 518 CA GLU A 32 0.447 2.056 7.153 1.00 0.00 C ATOM 519 C GLU A 32 -0.642 2.145 6.076 1.00 0.00 C ATOM 520 O GLU A 32 -0.299 2.109 4.896 1.00 0.00 O ATOM 521 CB GLU A 32 0.993 3.440 7.565 1.00 0.00 C ATOM 522 CG GLU A 32 0.776 3.746 9.052 1.00 0.00 C ATOM 523 CD GLU A 32 -0.479 4.589 9.237 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.416 5.814 8.943 1.00 0.00 O ATOM 525 OE2 GLU A 32 -1.566 4.000 9.450 1.00 0.00 O ATOM 0 H GLU A 32 1.612 1.310 5.595 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.002 1.585 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.059 3.486 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.507 4.210 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.684 2.816 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.641 4.275 9.452 1.00 0.00 H new ATOM 532 N VAL A 33 -1.931 2.238 6.438 1.00 0.00 N ATOM 533 CA VAL A 33 -3.069 2.324 5.509 1.00 0.00 C ATOM 534 C VAL A 33 -4.183 3.185 6.141 1.00 0.00 C ATOM 535 O VAL A 33 -4.479 3.016 7.325 1.00 0.00 O ATOM 536 CB VAL A 33 -3.608 0.904 5.194 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.684 0.967 4.098 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.543 -0.114 4.744 1.00 0.00 C ATOM 0 H VAL A 33 -2.219 2.256 7.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.740 2.786 4.578 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.010 0.554 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.051 -0.038 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.511 1.592 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.255 1.392 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.018 -1.075 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.059 0.244 3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.797 -0.232 5.530 1.00 0.00 H new ATOM 548 N SER A 34 -4.857 4.052 5.370 1.00 0.00 N ATOM 549 CA SER A 34 -5.975 4.884 5.841 1.00 0.00 C ATOM 550 C SER A 34 -7.100 4.985 4.807 1.00 0.00 C ATOM 551 O SER A 34 -6.836 5.333 3.656 1.00 0.00 O ATOM 552 CB SER A 34 -5.470 6.301 6.128 1.00 0.00 C ATOM 553 OG SER A 34 -4.821 6.384 7.378 1.00 0.00 O ATOM 0 H SER A 34 -4.637 4.197 4.385 1.00 0.00 H new ATOM 0 HA SER A 34 -6.370 4.411 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.782 6.608 5.340 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.309 6.997 6.107 1.00 0.00 H new ATOM 0 HG SER A 34 -4.511 7.302 7.525 1.00 0.00 H new ATOM 559 N VAL A 35 -8.350 4.764 5.232 1.00 0.00 N ATOM 560 CA VAL A 35 -9.568 4.965 4.437 1.00 0.00 C ATOM 561 C VAL A 35 -9.873 6.449 4.244 1.00 0.00 C ATOM 562 O VAL A 35 -10.193 6.858 3.125 1.00 0.00 O ATOM 563 CB VAL A 35 -10.757 4.227 5.106 1.00 0.00 C ATOM 564 CG1 VAL A 35 -12.109 4.452 4.409 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.524 2.711 5.216 1.00 0.00 C ATOM 0 H VAL A 35 -8.548 4.428 6.174 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.408 4.544 3.444 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.804 4.672 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.887 3.902 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.349 5.515 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.051 4.098 3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.386 2.244 5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.387 2.291 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.633 2.522 5.815 1.00 0.00 H new ATOM 575 N GLU A 36 -9.752 7.252 5.306 1.00 0.00 N ATOM 576 CA GLU A 36 -9.912 8.702 5.255 1.00 0.00 C ATOM 577 C GLU A 36 -8.958 9.258 4.200 1.00 0.00 C ATOM 578 O GLU A 36 -9.365 9.928 3.246 1.00 0.00 O ATOM 579 CB GLU A 36 -9.591 9.303 6.639 1.00 0.00 C ATOM 580 CG GLU A 36 -10.833 9.455 7.526 1.00 0.00 C ATOM 581 CD GLU A 36 -11.564 10.790 7.337 1.00 0.00 C ATOM 582 OE1 GLU A 36 -11.540 11.388 6.233 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.254 11.235 8.288 1.00 0.00 O ATOM 0 H GLU A 36 -9.536 6.903 6.240 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.937 8.963 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.864 8.668 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.124 10.279 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.523 8.639 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.537 9.357 8.571 1.00 0.00 H new ATOM 590 N GLU A 37 -7.678 8.922 4.365 1.00 0.00 N ATOM 591 CA GLU A 37 -6.606 9.578 3.636 1.00 0.00 C ATOM 592 C GLU A 37 -6.336 8.917 2.282 1.00 0.00 C ATOM 593 O GLU A 37 -5.683 9.555 1.457 1.00 0.00 O ATOM 594 CB GLU A 37 -5.340 9.704 4.503 1.00 0.00 C ATOM 595 CG GLU A 37 -5.442 10.871 5.498 1.00 0.00 C ATOM 596 CD GLU A 37 -4.171 11.040 6.343 1.00 0.00 C ATOM 597 OE1 GLU A 37 -3.153 11.551 5.826 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.193 10.675 7.547 1.00 0.00 O ATOM 0 H GLU A 37 -7.363 8.192 5.004 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.936 10.592 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.180 8.774 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.472 9.850 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.636 11.794 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.294 10.707 6.158 1.00 0.00 H new ATOM 605 N LYS A 38 -6.884 7.722 2.003 1.00 0.00 N ATOM 606 CA LYS A 38 -6.676 6.964 0.760 1.00 0.00 C ATOM 607 C LYS A 38 -5.191 6.712 0.476 1.00 0.00 C ATOM 608 O LYS A 38 -4.753 6.612 -0.667 1.00 0.00 O ATOM 609 CB LYS A 38 -7.442 7.629 -0.398 1.00 0.00 C ATOM 610 CG LYS A 38 -8.912 7.189 -0.411 1.00 0.00 C ATOM 611 CD LYS A 38 -9.721 7.930 -1.482 1.00 0.00 C ATOM 612 CE LYS A 38 -10.012 9.369 -1.064 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.797 10.096 -2.074 1.00 0.00 N ATOM 0 H LYS A 38 -7.503 7.243 2.657 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.097 5.965 0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.384 8.713 -0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.972 7.368 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.968 6.116 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.354 7.371 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.171 7.927 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.659 7.404 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.553 9.368 -0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.071 9.892 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.970 11.068 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.271 10.122 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.707 9.613 -2.220 1.00 0.00 H new ATOM 627 N LYS A 39 -4.384 6.591 1.526 1.00 0.00 N ATOM 628 CA LYS A 39 -2.936 6.504 1.418 1.00 0.00 C ATOM 629 C LYS A 39 -2.432 5.237 2.076 1.00 0.00 C ATOM 630 O LYS A 39 -3.054 4.715 3.012 1.00 0.00 O ATOM 631 CB LYS A 39 -2.314 7.733 2.085 1.00 0.00 C ATOM 632 CG LYS A 39 -2.040 8.903 1.130 1.00 0.00 C ATOM 633 CD LYS A 39 -1.220 9.994 1.836 1.00 0.00 C ATOM 634 CE LYS A 39 -2.057 10.642 2.944 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.275 11.529 3.815 1.00 0.00 N ATOM 0 H LYS A 39 -4.724 6.550 2.487 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.651 6.475 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.978 8.076 2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.377 7.439 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.501 8.545 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.983 9.320 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.313 9.563 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.908 10.750 1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.869 11.211 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.515 9.860 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.763 11.639 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.333 11.118 3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.174 12.460 3.362 1.00 0.00 H new ATOM 649 N VAL A 40 -1.240 4.823 1.664 1.00 0.00 N ATOM 650 CA VAL A 40 -0.445 3.761 2.253 1.00 0.00 C ATOM 651 C VAL A 40 0.953 4.325 2.513 1.00 0.00 C ATOM 652 O VAL A 40 1.355 5.323 1.907 1.00 0.00 O ATOM 653 CB VAL A 40 -0.453 2.533 1.310 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.429 1.339 1.702 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.878 2.017 1.135 1.00 0.00 C ATOM 0 H VAL A 40 -0.778 5.248 0.860 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.851 3.415 3.204 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.019 2.928 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.328 0.551 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.470 1.657 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.116 0.959 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.873 1.153 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.281 1.726 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.499 2.803 0.705 1.00 0.00 H new ATOM 665 N VAL A 41 1.712 3.669 3.382 1.00 0.00 N ATOM 666 CA VAL A 41 3.167 3.686 3.355 1.00 0.00 C ATOM 667 C VAL A 41 3.587 2.224 3.315 1.00 0.00 C ATOM 668 O VAL A 41 2.962 1.412 3.995 1.00 0.00 O ATOM 669 CB VAL A 41 3.765 4.385 4.598 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.281 4.586 4.477 1.00 0.00 C ATOM 671 CG2 VAL A 41 3.150 5.760 4.858 1.00 0.00 C ATOM 0 H VAL A 41 1.327 3.102 4.137 1.00 0.00 H new ATOM 0 HA VAL A 41 3.531 4.248 2.495 1.00 0.00 H new ATOM 0 HB VAL A 41 3.534 3.714 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.655 5.080 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.769 3.618 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.498 5.203 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.609 6.202 5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.325 6.405 3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.077 5.654 5.020 1.00 0.00 H new ATOM 681 N VAL A 42 4.649 1.887 2.589 1.00 0.00 N ATOM 682 CA VAL A 42 5.500 0.756 2.956 1.00 0.00 C ATOM 683 C VAL A 42 6.912 1.247 3.266 1.00 0.00 C ATOM 684 O VAL A 42 7.371 2.243 2.703 1.00 0.00 O ATOM 685 CB VAL A 42 5.524 -0.311 1.852 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.225 -1.128 1.883 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.756 0.312 0.464 1.00 0.00 C ATOM 0 H VAL A 42 4.942 2.379 1.745 1.00 0.00 H new ATOM 0 HA VAL A 42 5.083 0.290 3.849 1.00 0.00 H new ATOM 0 HB VAL A 42 6.363 -0.980 2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.251 -1.882 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.126 -1.617 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.375 -0.465 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.767 -0.474 -0.291 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.954 1.016 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.712 0.836 0.455 1.00 0.00 H new ATOM 697 N GLU A 43 7.602 0.518 4.136 1.00 0.00 N ATOM 698 CA GLU A 43 9.010 0.680 4.464 1.00 0.00 C ATOM 699 C GLU A 43 9.712 -0.614 4.018 1.00 0.00 C ATOM 700 O GLU A 43 9.666 -1.619 4.727 1.00 0.00 O ATOM 701 CB GLU A 43 9.158 0.948 5.973 1.00 0.00 C ATOM 702 CG GLU A 43 10.566 1.409 6.378 1.00 0.00 C ATOM 703 CD GLU A 43 10.774 1.335 7.894 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.250 2.214 8.631 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.529 0.444 8.349 1.00 0.00 O ATOM 0 H GLU A 43 7.168 -0.243 4.659 1.00 0.00 H new ATOM 0 HA GLU A 43 9.464 1.531 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.436 1.708 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.910 0.039 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.310 0.788 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.725 2.433 6.039 1.00 0.00 H new ATOM 712 N THR A 44 10.301 -0.643 2.821 1.00 0.00 N ATOM 713 CA THR A 44 11.125 -1.751 2.335 1.00 0.00 C ATOM 714 C THR A 44 12.124 -1.165 1.332 1.00 0.00 C ATOM 715 O THR A 44 11.898 -0.069 0.820 1.00 0.00 O ATOM 716 CB THR A 44 10.218 -2.843 1.714 1.00 0.00 C ATOM 717 OG1 THR A 44 10.971 -3.933 1.196 1.00 0.00 O ATOM 718 CG2 THR A 44 9.339 -2.315 0.573 1.00 0.00 C ATOM 0 H THR A 44 10.217 0.119 2.148 1.00 0.00 H new ATOM 0 HA THR A 44 11.677 -2.235 3.140 1.00 0.00 H new ATOM 0 HB THR A 44 9.586 -3.173 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.362 -4.600 0.815 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.727 -3.127 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.692 -1.522 0.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.972 -1.920 -0.221 1.00 0.00 H new ATOM 726 N GLU A 45 13.190 -1.894 0.986 1.00 0.00 N ATOM 727 CA GLU A 45 13.943 -1.602 -0.235 1.00 0.00 C ATOM 728 C GLU A 45 13.118 -1.956 -1.476 1.00 0.00 C ATOM 729 O GLU A 45 13.205 -1.272 -2.492 1.00 0.00 O ATOM 730 CB GLU A 45 15.293 -2.350 -0.274 1.00 0.00 C ATOM 731 CG GLU A 45 15.205 -3.862 0.017 1.00 0.00 C ATOM 732 CD GLU A 45 16.490 -4.645 -0.284 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.548 -4.040 -0.552 1.00 0.00 O ATOM 734 OE2 GLU A 45 16.474 -5.894 -0.164 1.00 0.00 O ATOM 0 H GLU A 45 13.547 -2.681 1.528 1.00 0.00 H new ATOM 0 HA GLU A 45 14.152 -0.532 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.742 -2.209 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.966 -1.893 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.947 -4.002 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.391 -4.285 -0.571 1.00 0.00 H new ATOM 741 N ASN A 46 12.349 -3.048 -1.436 1.00 0.00 N ATOM 742 CA ASN A 46 11.970 -3.762 -2.654 1.00 0.00 C ATOM 743 C ASN A 46 10.598 -3.312 -3.132 1.00 0.00 C ATOM 744 O ASN A 46 9.681 -4.120 -3.312 1.00 0.00 O ATOM 745 CB ASN A 46 12.091 -5.284 -2.456 1.00 0.00 C ATOM 746 CG ASN A 46 12.585 -5.956 -3.723 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.802 -5.990 -4.780 1.00 0.00 O flip ATOM 748 ND2 ASN A 46 13.689 -6.488 -3.751 1.00 0.00 N flip ATOM 0 H ASN A 46 11.979 -3.454 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 46 12.667 -3.510 -3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.778 -5.495 -1.636 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.122 -5.697 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.291 -6.458 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.006 -6.961 -4.597 1.00 0.00 H new ATOM 755 N LEU A 47 10.462 -1.996 -3.294 1.00 0.00 N ATOM 756 CA LEU A 47 9.219 -1.302 -3.588 1.00 0.00 C ATOM 757 C LEU A 47 8.506 -1.876 -4.807 1.00 0.00 C ATOM 758 O LEU A 47 7.284 -1.966 -4.776 1.00 0.00 O ATOM 759 CB LEU A 47 9.521 0.183 -3.808 1.00 0.00 C ATOM 760 CG LEU A 47 8.285 1.011 -4.229 1.00 0.00 C ATOM 761 CD1 LEU A 47 7.210 1.072 -3.135 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.718 2.424 -4.598 1.00 0.00 C ATOM 0 H LEU A 47 11.256 -1.360 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 47 8.549 -1.435 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.932 0.601 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.290 0.279 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 47 7.841 0.511 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.366 1.666 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.871 0.063 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.628 1.531 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.845 3.006 -4.895 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.193 2.895 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.425 2.383 -5.426 1.00 0.00 H new ATOM 774 N ASP A 48 9.228 -2.292 -5.851 1.00 0.00 N ATOM 775 CA ASP A 48 8.586 -2.776 -7.074 1.00 0.00 C ATOM 776 C ASP A 48 7.718 -3.992 -6.780 1.00 0.00 C ATOM 777 O ASP A 48 6.616 -4.109 -7.298 1.00 0.00 O ATOM 778 CB ASP A 48 9.611 -3.102 -8.165 1.00 0.00 C ATOM 779 CG ASP A 48 9.090 -2.633 -9.512 1.00 0.00 C ATOM 780 OD1 ASP A 48 9.207 -1.410 -9.769 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.514 -3.426 -10.299 1.00 0.00 O ATOM 0 H ASP A 48 10.248 -2.303 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 48 7.951 -1.972 -7.448 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.561 -2.616 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.800 -4.175 -8.191 1.00 0.00 H new ATOM 786 N SER A 49 8.172 -4.841 -5.854 1.00 0.00 N ATOM 787 CA SER A 49 7.432 -5.995 -5.358 1.00 0.00 C ATOM 788 C SER A 49 6.123 -5.575 -4.676 1.00 0.00 C ATOM 789 O SER A 49 5.103 -6.259 -4.800 1.00 0.00 O ATOM 790 CB SER A 49 8.316 -6.793 -4.395 1.00 0.00 C ATOM 791 OG SER A 49 8.167 -8.178 -4.607 1.00 0.00 O ATOM 0 H SER A 49 9.089 -4.738 -5.420 1.00 0.00 H new ATOM 0 HA SER A 49 7.164 -6.625 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.359 -6.510 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.053 -6.548 -3.366 1.00 0.00 H new ATOM 0 HG SER A 49 8.742 -8.668 -3.983 1.00 0.00 H new ATOM 797 N VAL A 50 6.143 -4.444 -3.965 1.00 0.00 N ATOM 798 CA VAL A 50 4.971 -3.866 -3.331 1.00 0.00 C ATOM 799 C VAL A 50 4.018 -3.360 -4.410 1.00 0.00 C ATOM 800 O VAL A 50 2.849 -3.725 -4.391 1.00 0.00 O ATOM 801 CB VAL A 50 5.353 -2.762 -2.325 1.00 0.00 C ATOM 802 CG1 VAL A 50 4.103 -2.394 -1.519 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.493 -3.182 -1.369 1.00 0.00 C ATOM 0 H VAL A 50 6.993 -3.900 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 50 4.462 -4.635 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 50 5.726 -1.906 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.351 -1.613 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.328 -2.032 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.740 -3.274 -0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.715 -2.362 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.185 -4.057 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.384 -3.423 -1.949 1.00 0.00 H new ATOM 813 N LEU A 51 4.490 -2.536 -5.344 1.00 0.00 N ATOM 814 CA LEU A 51 3.658 -1.963 -6.403 1.00 0.00 C ATOM 815 C LEU A 51 3.002 -3.082 -7.208 1.00 0.00 C ATOM 816 O LEU A 51 1.794 -3.072 -7.425 1.00 0.00 O ATOM 817 CB LEU A 51 4.511 -1.056 -7.302 1.00 0.00 C ATOM 818 CG LEU A 51 5.025 0.188 -6.556 1.00 0.00 C ATOM 819 CD1 LEU A 51 6.177 0.822 -7.337 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.914 1.223 -6.347 1.00 0.00 C ATOM 0 H LEU A 51 5.467 -2.245 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 51 2.868 -1.356 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.359 -1.623 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.921 -0.743 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 51 5.374 -0.133 -5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.537 1.702 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.989 0.101 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.828 1.115 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.316 2.086 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.525 1.540 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.109 0.780 -5.760 1.00 0.00 H new ATOM 832 N LYS A 52 3.782 -4.117 -7.512 1.00 0.00 N ATOM 833 CA LYS A 52 3.348 -5.363 -8.113 1.00 0.00 C ATOM 834 C LYS A 52 2.218 -5.957 -7.316 1.00 0.00 C ATOM 835 O LYS A 52 1.170 -6.215 -7.892 1.00 0.00 O ATOM 836 CB LYS A 52 4.527 -6.349 -8.182 1.00 0.00 C ATOM 837 CG LYS A 52 5.318 -6.207 -9.484 1.00 0.00 C ATOM 838 CD LYS A 52 4.979 -7.334 -10.461 1.00 0.00 C ATOM 839 CE LYS A 52 3.476 -7.508 -10.696 1.00 0.00 C ATOM 840 NZ LYS A 52 3.224 -8.380 -11.849 1.00 0.00 N ATOM 0 H LYS A 52 4.786 -4.102 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 52 2.994 -5.165 -9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.191 -6.180 -7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.152 -7.369 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.097 -5.244 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.386 -6.219 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.467 -7.136 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.390 -8.269 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.011 -7.932 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.015 -6.535 -10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.199 -8.483 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.649 -7.961 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.646 -9.315 -11.676 1.00 0.00 H new ATOM 854 N LYS A 53 2.427 -6.210 -6.019 1.00 0.00 N ATOM 855 CA LYS A 53 1.398 -6.803 -5.180 1.00 0.00 C ATOM 856 C LYS A 53 0.133 -5.957 -5.222 1.00 0.00 C ATOM 857 O LYS A 53 -0.949 -6.529 -5.269 1.00 0.00 O ATOM 858 CB LYS A 53 1.912 -6.970 -3.739 1.00 0.00 C ATOM 859 CG LYS A 53 0.939 -7.753 -2.846 1.00 0.00 C ATOM 860 CD LYS A 53 0.871 -9.246 -3.208 1.00 0.00 C ATOM 861 CE LYS A 53 1.652 -10.099 -2.204 1.00 0.00 C ATOM 862 NZ LYS A 53 1.590 -11.532 -2.551 1.00 0.00 N ATOM 0 H LYS A 53 3.302 -6.011 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 53 1.154 -7.793 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.873 -7.484 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.085 -5.986 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.245 -7.649 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.056 -7.317 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.170 -9.570 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.275 -9.398 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.692 -9.774 -2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.247 -9.948 -1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.129 -12.082 -1.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.599 -11.847 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.999 -11.678 -3.496 1.00 0.00 H new ATOM 876 N LEU A 54 0.261 -4.632 -5.160 1.00 0.00 N ATOM 877 CA LEU A 54 -0.875 -3.722 -5.105 1.00 0.00 C ATOM 878 C LEU A 54 -1.684 -3.838 -6.395 1.00 0.00 C ATOM 879 O LEU A 54 -2.902 -4.019 -6.355 1.00 0.00 O ATOM 880 CB LEU A 54 -0.355 -2.304 -4.816 1.00 0.00 C ATOM 881 CG LEU A 54 -0.219 -1.985 -3.308 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.535 -1.441 -2.749 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.206 -3.126 -2.365 1.00 0.00 C ATOM 0 H LEU A 54 1.165 -4.159 -5.147 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.560 -3.980 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.617 -2.179 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.030 -1.579 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 54 0.599 -1.265 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.417 -1.223 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.805 -0.528 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.321 -2.184 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.258 -2.752 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.524 -3.934 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.185 -3.500 -2.665 1.00 0.00 H new ATOM 895 N GLU A 55 -1.010 -3.805 -7.538 1.00 0.00 N ATOM 896 CA GLU A 55 -1.651 -3.867 -8.841 1.00 0.00 C ATOM 897 C GLU A 55 -2.290 -5.255 -9.031 1.00 0.00 C ATOM 898 O GLU A 55 -3.439 -5.354 -9.469 1.00 0.00 O ATOM 899 CB GLU A 55 -0.591 -3.500 -9.892 1.00 0.00 C ATOM 900 CG GLU A 55 -0.221 -2.001 -9.759 1.00 0.00 C ATOM 901 CD GLU A 55 1.162 -1.616 -10.294 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.823 -2.410 -10.998 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.583 -0.457 -10.075 1.00 0.00 O ATOM 0 H GLU A 55 0.006 -3.734 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.471 -3.156 -8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.297 -4.117 -9.758 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.972 -3.703 -10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.972 -1.411 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.275 -1.723 -8.707 1.00 0.00 H new ATOM 910 N GLU A 56 -1.602 -6.315 -8.594 1.00 0.00 N ATOM 911 CA GLU A 56 -2.054 -7.710 -8.585 1.00 0.00 C ATOM 912 C GLU A 56 -3.210 -7.980 -7.608 1.00 0.00 C ATOM 913 O GLU A 56 -3.790 -9.075 -7.640 1.00 0.00 O ATOM 914 CB GLU A 56 -0.874 -8.634 -8.224 1.00 0.00 C ATOM 915 CG GLU A 56 -0.092 -9.162 -9.436 1.00 0.00 C ATOM 916 CD GLU A 56 -0.707 -10.488 -9.920 1.00 0.00 C ATOM 917 OE1 GLU A 56 -1.898 -10.505 -10.300 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.075 -11.554 -9.747 1.00 0.00 O ATOM 0 H GLU A 56 -0.660 -6.216 -8.215 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.428 -7.915 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.189 -8.092 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.253 -9.482 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.112 -8.427 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.954 -9.313 -9.167 1.00 0.00 H new ATOM 925 N ILE A 57 -3.565 -7.035 -6.731 1.00 0.00 N ATOM 926 CA ILE A 57 -4.777 -7.109 -5.924 1.00 0.00 C ATOM 927 C ILE A 57 -5.848 -6.153 -6.446 1.00 0.00 C ATOM 928 O ILE A 57 -6.756 -5.827 -5.689 1.00 0.00 O ATOM 929 CB ILE A 57 -4.523 -6.979 -4.404 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.051 -5.583 -3.969 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.601 -8.085 -3.860 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.415 -5.251 -2.522 1.00 0.00 C ATOM 0 H ILE A 57 -3.013 -6.194 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.168 -8.120 -6.040 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.503 -7.119 -3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.970 -5.518 -4.090 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.491 -4.835 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.457 -7.945 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.056 -9.059 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.636 -8.036 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.054 -4.252 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.498 -5.285 -2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.953 -5.978 -1.855 1.00 0.00 H new ATOM 944 N ASP A 58 -5.792 -5.744 -7.718 1.00 0.00 N ATOM 945 CA ASP A 58 -6.809 -4.942 -8.410 1.00 0.00 C ATOM 946 C ASP A 58 -6.765 -3.476 -7.983 1.00 0.00 C ATOM 947 O ASP A 58 -7.683 -2.726 -8.308 1.00 0.00 O ATOM 948 CB ASP A 58 -8.221 -5.537 -8.194 1.00 0.00 C ATOM 949 CG ASP A 58 -9.332 -4.957 -9.066 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.248 -5.030 -10.309 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.363 -4.501 -8.511 1.00 0.00 O ATOM 0 H ASP A 58 -5.002 -5.973 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.580 -4.977 -9.475 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.172 -6.612 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.496 -5.398 -7.149 1.00 0.00 H new ATOM 956 N TYR A 59 -5.742 -3.059 -7.227 1.00 0.00 N ATOM 957 CA TYR A 59 -5.674 -1.737 -6.623 1.00 0.00 C ATOM 958 C TYR A 59 -4.492 -1.008 -7.280 1.00 0.00 C ATOM 959 O TYR A 59 -3.385 -1.050 -6.741 1.00 0.00 O ATOM 960 CB TYR A 59 -5.511 -1.827 -5.090 1.00 0.00 C ATOM 961 CG TYR A 59 -6.708 -2.234 -4.239 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.742 -3.061 -4.724 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.774 -1.776 -2.909 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.806 -3.449 -3.905 1.00 0.00 C ATOM 965 CE2 TYR A 59 -7.830 -2.163 -2.070 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.849 -3.004 -2.573 1.00 0.00 C ATOM 967 OH TYR A 59 -9.862 -3.420 -1.777 1.00 0.00 O ATOM 0 H TYR A 59 -4.932 -3.643 -7.019 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.600 -1.187 -6.791 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.707 -2.535 -4.886 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.174 -0.852 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.711 -3.401 -5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.004 -1.120 -2.531 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.588 -4.085 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.864 -1.821 -1.046 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.509 -2.692 -1.663 1.00 0.00 H new ATOM 977 N PRO A 60 -4.663 -0.371 -8.448 1.00 0.00 N ATOM 978 CA PRO A 60 -3.611 0.400 -9.101 1.00 0.00 C ATOM 979 C PRO A 60 -3.334 1.676 -8.298 1.00 0.00 C ATOM 980 O PRO A 60 -4.227 2.508 -8.102 1.00 0.00 O ATOM 981 CB PRO A 60 -4.130 0.686 -10.514 1.00 0.00 C ATOM 982 CG PRO A 60 -5.649 0.677 -10.335 1.00 0.00 C ATOM 983 CD PRO A 60 -5.867 -0.388 -9.259 1.00 0.00 C ATOM 0 HA PRO A 60 -2.660 -0.130 -9.154 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.774 1.646 -10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.803 -0.073 -11.225 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.023 1.651 -10.019 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.162 0.424 -11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.748 -0.164 -8.658 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.026 -1.370 -9.705 1.00 0.00 H new ATOM 991 N VAL A 61 -2.111 1.829 -7.780 1.00 0.00 N ATOM 992 CA VAL A 61 -1.696 3.043 -7.074 1.00 0.00 C ATOM 993 C VAL A 61 -1.826 4.218 -8.060 1.00 0.00 C ATOM 994 O VAL A 61 -1.519 4.070 -9.241 1.00 0.00 O ATOM 995 CB VAL A 61 -0.284 2.843 -6.457 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.740 2.296 -7.439 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.257 4.115 -5.811 1.00 0.00 C ATOM 0 H VAL A 61 -1.384 1.116 -7.839 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.333 3.272 -6.220 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.433 2.090 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.701 2.183 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.407 1.326 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.847 2.986 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.246 3.920 -5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.327 4.903 -6.561 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.415 4.433 -5.014 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.335 5.368 -7.616 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.392 6.577 -8.433 1.00 0.00 C ATOM 1009 C GLU A 62 -0.954 7.080 -8.612 1.00 0.00 C ATOM 1010 O GLU A 62 -0.444 7.168 -9.729 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.312 7.630 -7.776 1.00 0.00 C ATOM 1012 CG GLU A 62 -4.210 8.326 -8.806 1.00 0.00 C ATOM 1013 CD GLU A 62 -5.093 9.436 -8.220 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -6.183 9.153 -7.676 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -4.749 10.633 -8.365 1.00 0.00 O ATOM 0 H GLU A 62 -2.719 5.486 -6.679 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.822 6.372 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.932 7.149 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.703 8.375 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.583 8.751 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.849 7.580 -9.278 1.00 0.00 H new ATOM 1022 N SER A 63 -0.266 7.345 -7.499 1.00 0.00 N ATOM 1023 CA SER A 63 1.141 7.714 -7.475 1.00 0.00 C ATOM 1024 C SER A 63 1.789 7.199 -6.203 1.00 0.00 C ATOM 1025 O SER A 63 1.115 6.966 -5.198 1.00 0.00 O ATOM 1026 CB SER A 63 1.312 9.238 -7.551 1.00 0.00 C ATOM 1027 OG SER A 63 0.145 9.969 -7.197 1.00 0.00 O ATOM 0 H SER A 63 -0.687 7.307 -6.571 1.00 0.00 H new ATOM 0 HA SER A 63 1.623 7.265 -8.343 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.128 9.535 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.605 9.510 -8.565 1.00 0.00 H new ATOM 0 HG SER A 63 0.327 10.929 -7.266 1.00 0.00 H new ATOM 1033 N TYR A 64 3.110 7.090 -6.229 1.00 0.00 N ATOM 1034 CA TYR A 64 3.931 6.937 -5.040 1.00 0.00 C ATOM 1035 C TYR A 64 5.081 7.934 -5.126 1.00 0.00 C ATOM 1036 O TYR A 64 5.212 8.652 -6.122 1.00 0.00 O ATOM 1037 CB TYR A 64 4.436 5.500 -4.868 1.00 0.00 C ATOM 1038 CG TYR A 64 5.261 5.013 -6.039 1.00 0.00 C ATOM 1039 CD1 TYR A 64 4.621 4.415 -7.141 1.00 0.00 C ATOM 1040 CD2 TYR A 64 6.655 5.216 -6.056 1.00 0.00 C ATOM 1041 CE1 TYR A 64 5.374 3.968 -8.239 1.00 0.00 C ATOM 1042 CE2 TYR A 64 7.409 4.778 -7.155 1.00 0.00 C ATOM 1043 CZ TYR A 64 6.775 4.130 -8.240 1.00 0.00 C ATOM 1044 OH TYR A 64 7.500 3.703 -9.307 1.00 0.00 O ATOM 0 H TYR A 64 3.650 7.106 -7.094 1.00 0.00 H new ATOM 0 HA TYR A 64 3.329 7.144 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.035 5.439 -3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.582 4.836 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.547 4.300 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.141 5.707 -5.226 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.882 3.502 -9.080 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.477 4.936 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 64 8.450 3.888 -9.152 1.00 0.00 H new ATOM 1054 N GLN A 65 5.891 7.996 -4.073 1.00 0.00 N ATOM 1055 CA GLN A 65 7.106 8.783 -3.984 1.00 0.00 C ATOM 1056 C GLN A 65 7.771 8.387 -2.665 1.00 0.00 C ATOM 1057 O GLN A 65 7.122 7.848 -1.766 1.00 0.00 O ATOM 1058 CB GLN A 65 6.770 10.288 -4.015 1.00 0.00 C ATOM 1059 CG GLN A 65 5.725 10.676 -2.964 1.00 0.00 C ATOM 1060 CD GLN A 65 4.772 11.787 -3.377 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.254 11.815 -4.489 1.00 0.00 O ATOM 1062 NE2 GLN A 65 4.435 12.658 -2.440 1.00 0.00 N ATOM 0 H GLN A 65 5.704 7.471 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 65 7.774 8.596 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.680 10.864 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.401 10.555 -5.005 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.139 9.791 -2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.243 10.983 -2.056 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.878 12.617 -1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.732 13.371 -2.635 1.00 0.00 H new ATOM 1071 N GLU A 66 9.061 8.652 -2.543 1.00 0.00 N ATOM 1072 CA GLU A 66 9.848 8.541 -1.329 1.00 0.00 C ATOM 1073 C GLU A 66 9.348 9.514 -0.267 1.00 0.00 C ATOM 1074 O GLU A 66 8.755 10.560 -0.587 1.00 0.00 O ATOM 1075 CB GLU A 66 11.304 8.860 -1.684 1.00 0.00 C ATOM 1076 CG GLU A 66 12.278 8.016 -0.861 1.00 0.00 C ATOM 1077 CD GLU A 66 13.740 8.376 -1.143 1.00 0.00 C ATOM 1078 OE1 GLU A 66 14.030 8.861 -2.262 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.605 8.223 -0.254 1.00 0.00 O ATOM 0 H GLU A 66 9.618 8.969 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 66 9.761 7.533 -0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.469 8.677 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.499 9.918 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.070 8.156 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.117 6.961 -1.081 1.00 0.00 H new ATOM 1086 N VAL A 67 9.638 9.184 0.986 1.00 0.00 N ATOM 1087 CA VAL A 67 9.360 9.974 2.167 1.00 0.00 C ATOM 1088 C VAL A 67 10.486 9.742 3.159 1.00 0.00 C ATOM 1089 O VAL A 67 10.737 10.645 3.981 1.00 0.00 O ATOM 1090 CB VAL A 67 7.987 9.619 2.782 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.917 10.583 2.297 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.465 8.227 2.385 1.00 0.00 C ATOM 0 H VAL A 67 10.101 8.304 1.212 1.00 0.00 H new ATOM 0 HA VAL A 67 9.308 11.029 1.899 1.00 0.00 H new ATOM 0 HB VAL A 67 8.158 9.664 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.958 10.316 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.182 11.599 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.842 10.527 1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.498 8.053 2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.355 8.175 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.172 7.466 2.715 1.00 0.00 H new