USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 566 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 43 THR OG1 : rot 59:sc= -1.1 USER MOD Set 1.2: A 61 MET CE :methyl -155:sc= -21.8! (180deg=-24.1!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-4.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 MET CE :methyl -112:sc= -2.48! (180deg=-7.59!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 17 HIS : no HE2:sc= -6.2! C(o=-6.2!,f=-8.7!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -3.75! C(o=-3.8!,f=-6.9!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.1) USER MOD Single : A 34 THR OG1 : rot 33:sc= -6.92! USER MOD Single : A 36 CYS SG : rot 51:sc= -6.8! USER MOD Single : A 40 SER OG : rot -37:sc= 0.258 USER MOD Single : A 48 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.6!) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= -0.522 (180deg=-2.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -160:sc= -0.647 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0732 (180deg=-0.667) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -4.92! C(o=-4.9!,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= -0.138 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.401 7.028 3.512 1.00 0.00 N ATOM 2 CA PRO A 1 -2.886 7.033 3.339 1.00 0.00 C ATOM 3 C PRO A 1 -3.467 5.703 3.822 1.00 0.00 C ATOM 4 O PRO A 1 -4.263 5.085 3.147 1.00 0.00 O ATOM 5 CB PRO A 1 -3.193 7.222 1.853 1.00 0.00 C ATOM 6 CG PRO A 1 -1.863 7.376 1.131 1.00 0.00 C ATOM 7 CD PRO A 1 -0.758 7.229 2.177 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.096 6.145 3.921 1.00 0.00 H new ATOM 0 H3 PRO A 1 -1.118 7.768 4.155 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.331 7.840 3.921 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.745 6.367 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.818 8.102 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -1.758 6.620 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -1.802 8.348 0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.115 6.383 1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.126 8.117 2.189 1.00 0.00 H new ATOM 17 N ILE A 2 -3.079 5.257 4.985 1.00 0.00 N ATOM 18 CA ILE A 2 -3.619 3.968 5.504 1.00 0.00 C ATOM 19 C ILE A 2 -5.093 4.147 5.863 1.00 0.00 C ATOM 20 O ILE A 2 -5.957 3.460 5.349 1.00 0.00 O ATOM 21 CB ILE A 2 -2.843 3.551 6.757 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.354 3.850 6.562 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.032 2.053 6.998 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.905 3.329 5.198 1.00 0.00 C ATOM 0 H ILE A 2 -2.413 5.728 5.597 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.515 3.198 4.739 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.216 4.109 7.616 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.176 4.923 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.771 3.379 7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.480 1.755 7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.091 1.838 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.660 1.496 6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.155 3.541 5.058 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.069 2.253 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.480 3.821 4.413 1.00 0.00 H new ATOM 36 N SER A 3 -5.387 5.065 6.740 1.00 0.00 N ATOM 37 CA SER A 3 -6.803 5.292 7.135 1.00 0.00 C ATOM 38 C SER A 3 -7.640 5.577 5.887 1.00 0.00 C ATOM 39 O SER A 3 -8.768 5.144 5.777 1.00 0.00 O ATOM 40 CB SER A 3 -6.882 6.481 8.091 1.00 0.00 C ATOM 41 OG SER A 3 -6.308 7.623 7.469 1.00 0.00 O ATOM 0 H SER A 3 -4.706 5.669 7.201 1.00 0.00 H new ATOM 0 HA SER A 3 -7.189 4.403 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.920 6.681 8.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.354 6.253 9.017 1.00 0.00 H new ATOM 0 HG SER A 3 -6.359 8.388 8.079 1.00 0.00 H new ATOM 47 N GLN A 4 -7.098 6.297 4.941 1.00 0.00 N ATOM 48 CA GLN A 4 -7.873 6.591 3.704 1.00 0.00 C ATOM 49 C GLN A 4 -8.212 5.271 3.015 1.00 0.00 C ATOM 50 O GLN A 4 -9.366 4.960 2.767 1.00 0.00 O ATOM 51 CB GLN A 4 -7.037 7.464 2.765 1.00 0.00 C ATOM 52 CG GLN A 4 -6.563 8.711 3.513 1.00 0.00 C ATOM 53 CD GLN A 4 -7.548 9.856 3.273 1.00 0.00 C ATOM 54 OE1 GLN A 4 -8.464 10.056 4.045 1.00 0.00 O ATOM 55 NE2 GLN A 4 -7.398 10.621 2.227 1.00 0.00 N ATOM 0 H GLN A 4 -6.158 6.691 4.972 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.789 7.124 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.180 6.901 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.629 7.751 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.486 8.501 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.568 8.996 3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.629 10.453 1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.050 11.387 2.058 1.00 0.00 H new ATOM 64 N VAL A 5 -7.219 4.478 2.719 1.00 0.00 N ATOM 65 CA VAL A 5 -7.501 3.174 2.072 1.00 0.00 C ATOM 66 C VAL A 5 -8.549 2.466 2.908 1.00 0.00 C ATOM 67 O VAL A 5 -9.675 2.335 2.507 1.00 0.00 O ATOM 68 CB VAL A 5 -6.237 2.310 2.026 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.497 1.047 1.201 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.079 3.096 1.407 1.00 0.00 C ATOM 0 H VAL A 5 -6.235 4.677 2.897 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.847 3.336 1.051 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.971 2.028 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.593 0.438 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.306 0.475 1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.777 1.327 0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.187 2.470 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.343 3.394 0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.881 3.985 2.006 1.00 0.00 H new ATOM 80 N HIS A 6 -8.185 2.026 4.082 1.00 0.00 N ATOM 81 CA HIS A 6 -9.160 1.335 4.963 1.00 0.00 C ATOM 82 C HIS A 6 -10.550 1.952 4.782 1.00 0.00 C ATOM 83 O HIS A 6 -11.553 1.262 4.764 1.00 0.00 O ATOM 84 CB HIS A 6 -8.713 1.513 6.410 1.00 0.00 C ATOM 85 CG HIS A 6 -7.507 0.656 6.676 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.586 -0.723 6.782 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.183 0.971 6.862 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.344 -1.183 7.020 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.451 -0.193 7.080 1.00 0.00 N ATOM 0 H HIS A 6 -7.246 2.118 4.468 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.205 0.276 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.477 2.560 6.602 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.522 1.239 7.087 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.432 -1.287 6.695 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.772 1.970 6.842 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.099 -2.227 7.147 1.00 0.00 H new ATOM 97 N GLU A 7 -10.612 3.249 4.631 1.00 0.00 N ATOM 98 CA GLU A 7 -11.927 3.919 4.450 1.00 0.00 C ATOM 99 C GLU A 7 -12.600 3.431 3.168 1.00 0.00 C ATOM 100 O GLU A 7 -13.656 2.836 3.208 1.00 0.00 O ATOM 101 CB GLU A 7 -11.722 5.432 4.373 1.00 0.00 C ATOM 102 CG GLU A 7 -12.228 6.074 5.664 1.00 0.00 C ATOM 103 CD GLU A 7 -12.045 7.591 5.591 1.00 0.00 C ATOM 104 OE1 GLU A 7 -12.686 8.205 4.755 1.00 0.00 O ATOM 105 OE2 GLU A 7 -11.266 8.113 6.373 1.00 0.00 O ATOM 0 H GLU A 7 -9.805 3.872 4.626 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.566 3.676 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.666 5.661 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.257 5.840 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.280 5.832 5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.683 5.673 6.519 1.00 0.00 H new ATOM 112 N ILE A 8 -12.013 3.690 2.032 1.00 0.00 N ATOM 113 CA ILE A 8 -12.643 3.251 0.752 1.00 0.00 C ATOM 114 C ILE A 8 -12.623 1.722 0.638 1.00 0.00 C ATOM 115 O ILE A 8 -13.618 1.102 0.332 1.00 0.00 O ATOM 116 CB ILE A 8 -11.870 3.854 -0.423 1.00 0.00 C ATOM 117 CG1 ILE A 8 -10.382 3.502 -0.300 1.00 0.00 C ATOM 118 CG2 ILE A 8 -12.035 5.375 -0.417 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.089 2.206 -1.065 1.00 0.00 C ATOM 0 H ILE A 8 -11.127 4.185 1.933 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.678 3.591 0.735 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.261 3.448 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -9.773 4.314 -0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.112 3.384 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.484 5.804 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.091 5.627 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.647 5.779 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.031 1.961 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.686 1.395 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.341 2.339 -2.117 1.00 0.00 H new ATOM 131 N GLY A 9 -11.496 1.115 0.863 1.00 0.00 N ATOM 132 CA GLY A 9 -11.400 -0.361 0.751 1.00 0.00 C ATOM 133 C GLY A 9 -12.561 -1.005 1.500 1.00 0.00 C ATOM 134 O GLY A 9 -13.321 -1.771 0.944 1.00 0.00 O ATOM 0 H GLY A 9 -10.628 1.584 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.420 -0.659 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.452 -0.707 1.162 1.00 0.00 H new ATOM 138 N ILE A 10 -12.709 -0.705 2.761 1.00 0.00 N ATOM 139 CA ILE A 10 -13.828 -1.315 3.528 1.00 0.00 C ATOM 140 C ILE A 10 -15.162 -0.727 3.044 1.00 0.00 C ATOM 141 O ILE A 10 -16.189 -1.372 3.089 1.00 0.00 O ATOM 142 CB ILE A 10 -13.619 -1.030 5.028 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.173 -2.322 5.694 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.910 -0.533 5.696 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.214 -3.407 5.417 1.00 0.00 C ATOM 0 H ILE A 10 -12.109 -0.070 3.288 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.849 -2.393 3.371 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.868 -0.248 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.199 -2.627 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.060 -2.173 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.723 -0.343 6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.238 0.388 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.687 -1.291 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.904 -4.338 5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.178 -3.098 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.304 -3.559 4.341 1.00 0.00 H new ATOM 157 N LYS A 11 -15.150 0.498 2.605 1.00 0.00 N ATOM 158 CA LYS A 11 -16.413 1.139 2.146 1.00 0.00 C ATOM 159 C LYS A 11 -16.753 0.683 0.726 1.00 0.00 C ATOM 160 O LYS A 11 -17.778 1.040 0.179 1.00 0.00 O ATOM 161 CB LYS A 11 -16.233 2.658 2.160 1.00 0.00 C ATOM 162 CG LYS A 11 -16.493 3.194 3.569 1.00 0.00 C ATOM 163 CD LYS A 11 -16.792 4.694 3.499 1.00 0.00 C ATOM 164 CE LYS A 11 -15.907 5.441 4.497 1.00 0.00 C ATOM 165 NZ LYS A 11 -16.753 5.995 5.592 1.00 0.00 N ATOM 0 H LYS A 11 -14.318 1.086 2.544 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.225 0.850 2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.223 2.917 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.919 3.122 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.333 2.666 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.625 3.015 4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.612 5.064 2.490 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.843 4.876 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.156 4.767 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.372 6.246 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.152 6.503 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.454 6.651 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.244 5.218 6.078 1.00 0.00 H new ATOM 179 N ARG A 12 -15.902 -0.094 0.120 1.00 0.00 N ATOM 180 CA ARG A 12 -16.181 -0.558 -1.267 1.00 0.00 C ATOM 181 C ARG A 12 -15.936 -2.062 -1.357 1.00 0.00 C ATOM 182 O ARG A 12 -15.843 -2.620 -2.433 1.00 0.00 O ATOM 183 CB ARG A 12 -15.253 0.168 -2.244 1.00 0.00 C ATOM 184 CG ARG A 12 -15.992 0.422 -3.559 1.00 0.00 C ATOM 185 CD ARG A 12 -15.461 -0.528 -4.636 1.00 0.00 C ATOM 186 NE ARG A 12 -15.508 0.145 -5.967 1.00 0.00 N ATOM 187 CZ ARG A 12 -16.494 0.952 -6.260 1.00 0.00 C ATOM 188 NH1 ARG A 12 -17.718 0.625 -5.949 1.00 0.00 N ATOM 189 NH2 ARG A 12 -16.253 2.083 -6.864 1.00 0.00 N ATOM 0 H ARG A 12 -15.027 -0.428 0.523 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.218 -0.341 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.921 1.113 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.360 -0.430 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.063 0.271 -3.422 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.854 1.457 -3.872 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.438 -0.823 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.058 -1.440 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.769 -0.025 -6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.905 -0.260 -5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.488 1.254 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.296 2.337 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.022 2.713 -7.093 1.00 0.00 H new ATOM 203 N ASN A 13 -15.827 -2.718 -0.234 1.00 0.00 N ATOM 204 CA ASN A 13 -15.585 -4.188 -0.239 1.00 0.00 C ATOM 205 C ASN A 13 -14.099 -4.467 -0.475 1.00 0.00 C ATOM 206 O ASN A 13 -13.643 -5.584 -0.331 1.00 0.00 O ATOM 207 CB ASN A 13 -16.411 -4.845 -1.348 1.00 0.00 C ATOM 208 CG ASN A 13 -17.035 -6.139 -0.822 1.00 0.00 C ATOM 209 OD1 ASN A 13 -18.205 -6.175 -0.497 1.00 0.00 O ATOM 210 ND2 ASN A 13 -16.297 -7.211 -0.725 1.00 0.00 N ATOM 0 H ASN A 13 -15.896 -2.296 0.692 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.881 -4.601 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.192 -4.164 -1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.778 -5.058 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.703 -8.080 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.315 -7.180 -0.998 1.00 0.00 H new ATOM 217 N MET A 14 -13.333 -3.469 -0.833 1.00 0.00 N ATOM 218 CA MET A 14 -11.884 -3.704 -1.066 1.00 0.00 C ATOM 219 C MET A 14 -11.168 -3.828 0.280 1.00 0.00 C ATOM 220 O MET A 14 -10.853 -2.846 0.920 1.00 0.00 O ATOM 221 CB MET A 14 -11.297 -2.531 -1.856 1.00 0.00 C ATOM 222 CG MET A 14 -11.178 -2.918 -3.330 1.00 0.00 C ATOM 223 SD MET A 14 -10.520 -1.520 -4.273 1.00 0.00 S ATOM 224 CE MET A 14 -9.482 -2.477 -5.405 1.00 0.00 C ATOM 0 H MET A 14 -13.649 -2.509 -0.972 1.00 0.00 H new ATOM 0 HA MET A 14 -11.749 -4.624 -1.634 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.933 -1.652 -1.750 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.318 -2.265 -1.459 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.523 -3.783 -3.438 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.154 -3.206 -3.721 1.00 0.00 H new ATOM 0 HE1 MET A 14 -8.432 -2.275 -5.194 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.681 -3.540 -5.271 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.707 -2.193 -6.433 1.00 0.00 H new ATOM 234 N THR A 15 -10.902 -5.028 0.714 1.00 0.00 N ATOM 235 CA THR A 15 -10.202 -5.202 2.012 1.00 0.00 C ATOM 236 C THR A 15 -8.913 -4.385 1.995 1.00 0.00 C ATOM 237 O THR A 15 -8.249 -4.293 0.990 1.00 0.00 O ATOM 238 CB THR A 15 -9.877 -6.684 2.233 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.501 -7.465 1.223 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.413 -7.098 3.601 1.00 0.00 C ATOM 0 H THR A 15 -11.139 -5.892 0.226 1.00 0.00 H new ATOM 0 HA THR A 15 -10.843 -4.858 2.824 1.00 0.00 H new ATOM 0 HB THR A 15 -8.799 -6.841 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.291 -8.412 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.191 -8.151 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.940 -6.494 4.375 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.492 -6.945 3.630 1.00 0.00 H new ATOM 248 N VAL A 16 -8.557 -3.784 3.093 1.00 0.00 N ATOM 249 CA VAL A 16 -7.306 -2.973 3.117 1.00 0.00 C ATOM 250 C VAL A 16 -6.303 -3.630 4.058 1.00 0.00 C ATOM 251 O VAL A 16 -6.316 -3.395 5.250 1.00 0.00 O ATOM 252 CB VAL A 16 -7.623 -1.560 3.613 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.327 -0.747 3.727 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.569 -0.879 2.623 1.00 0.00 C ATOM 0 H VAL A 16 -9.073 -3.817 3.972 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.885 -2.917 2.113 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.096 -1.617 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.558 0.258 4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.653 -1.234 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.848 -0.687 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.798 0.128 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.093 -0.824 1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.491 -1.455 2.546 1.00 0.00 H new ATOM 264 N HIS A 17 -5.425 -4.449 3.542 1.00 0.00 N ATOM 265 CA HIS A 17 -4.426 -5.099 4.458 1.00 0.00 C ATOM 266 C HIS A 17 -3.007 -4.706 4.053 1.00 0.00 C ATOM 267 O HIS A 17 -2.456 -5.210 3.096 1.00 0.00 O ATOM 268 CB HIS A 17 -4.558 -6.625 4.428 1.00 0.00 C ATOM 269 CG HIS A 17 -5.949 -7.028 4.841 1.00 0.00 C ATOM 270 ND1 HIS A 17 -6.363 -6.974 6.163 1.00 0.00 N ATOM 271 CD2 HIS A 17 -7.025 -7.507 4.131 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.635 -7.410 6.208 1.00 0.00 C ATOM 273 NE2 HIS A 17 -8.087 -7.747 4.998 1.00 0.00 N ATOM 0 H HIS A 17 -5.351 -4.695 2.555 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.628 -4.752 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.345 -6.997 3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.826 -7.075 5.098 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.805 -6.661 6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.043 -7.672 3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.220 -7.479 7.113 1.00 0.00 H new ATOM 281 N PHE A 18 -2.414 -3.801 4.777 1.00 0.00 N ATOM 282 CA PHE A 18 -1.035 -3.357 4.447 1.00 0.00 C ATOM 283 C PHE A 18 -0.013 -4.276 5.115 1.00 0.00 C ATOM 284 O PHE A 18 -0.023 -4.465 6.314 1.00 0.00 O ATOM 285 CB PHE A 18 -0.830 -1.937 4.968 1.00 0.00 C ATOM 286 CG PHE A 18 -1.490 -0.949 4.040 1.00 0.00 C ATOM 287 CD1 PHE A 18 -2.687 -1.274 3.387 1.00 0.00 C ATOM 288 CD2 PHE A 18 -0.901 0.301 3.841 1.00 0.00 C ATOM 289 CE1 PHE A 18 -3.292 -0.344 2.539 1.00 0.00 C ATOM 290 CE2 PHE A 18 -1.506 1.228 2.991 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.704 0.905 2.340 1.00 0.00 C ATOM 0 H PHE A 18 -2.830 -3.347 5.590 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.900 -3.390 3.366 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.249 -1.844 5.970 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.235 -1.720 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.141 -2.242 3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.022 0.550 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.216 -0.592 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.051 2.195 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.172 1.624 1.684 1.00 0.00 H new ATOM 301 N LYS A 19 0.881 -4.833 4.349 1.00 0.00 N ATOM 302 CA LYS A 19 1.914 -5.721 4.935 1.00 0.00 C ATOM 303 C LYS A 19 3.245 -5.416 4.251 1.00 0.00 C ATOM 304 O LYS A 19 3.401 -5.631 3.068 1.00 0.00 O ATOM 305 CB LYS A 19 1.528 -7.183 4.700 1.00 0.00 C ATOM 306 CG LYS A 19 1.647 -7.510 3.212 1.00 0.00 C ATOM 307 CD LYS A 19 0.921 -8.823 2.917 1.00 0.00 C ATOM 308 CE LYS A 19 -0.578 -8.554 2.766 1.00 0.00 C ATOM 309 NZ LYS A 19 -1.348 -9.632 3.448 1.00 0.00 N ATOM 0 H LYS A 19 0.939 -4.709 3.338 1.00 0.00 H new ATOM 0 HA LYS A 19 1.997 -5.552 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.177 -7.839 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.508 -7.360 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.219 -6.704 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.697 -7.591 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.315 -9.272 2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.094 -9.536 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.829 -7.585 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.846 -8.513 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.367 -9.449 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.116 -10.550 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.100 -9.650 4.458 1.00 0.00 H new ATOM 323 N VAL A 20 4.201 -4.906 4.974 1.00 0.00 N ATOM 324 CA VAL A 20 5.510 -4.582 4.342 1.00 0.00 C ATOM 325 C VAL A 20 6.315 -5.866 4.179 1.00 0.00 C ATOM 326 O VAL A 20 6.469 -6.644 5.101 1.00 0.00 O ATOM 327 CB VAL A 20 6.257 -3.573 5.215 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.687 -3.401 4.696 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.526 -2.228 5.150 1.00 0.00 C ATOM 0 H VAL A 20 4.134 -4.700 5.971 1.00 0.00 H new ATOM 0 HA VAL A 20 5.357 -4.139 3.358 1.00 0.00 H new ATOM 0 HB VAL A 20 6.291 -3.930 6.244 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.217 -2.681 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.204 -4.360 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.660 -3.039 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.049 -1.499 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.501 -1.877 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.507 -2.350 5.516 1.00 0.00 H new ATOM 339 N LEU A 21 6.803 -6.103 2.994 1.00 0.00 N ATOM 340 CA LEU A 21 7.575 -7.351 2.732 1.00 0.00 C ATOM 341 C LEU A 21 9.044 -7.017 2.485 1.00 0.00 C ATOM 342 O LEU A 21 9.886 -7.890 2.442 1.00 0.00 O ATOM 343 CB LEU A 21 7.020 -8.075 1.489 1.00 0.00 C ATOM 344 CG LEU A 21 5.880 -7.285 0.846 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.578 -7.868 -0.537 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.639 -7.409 1.726 1.00 0.00 C ATOM 0 H LEU A 21 6.700 -5.483 2.191 1.00 0.00 H new ATOM 0 HA LEU A 21 7.482 -7.997 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.820 -8.219 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.664 -9.066 1.772 1.00 0.00 H new ATOM 0 HG LEU A 21 6.163 -6.237 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.765 -7.307 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.468 -7.799 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.286 -8.913 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.818 -6.849 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.358 -8.459 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.854 -7.008 2.716 1.00 0.00 H new ATOM 358 N ARG A 22 9.364 -5.767 2.313 1.00 0.00 N ATOM 359 CA ARG A 22 10.788 -5.409 2.057 1.00 0.00 C ATOM 360 C ARG A 22 11.148 -4.130 2.809 1.00 0.00 C ATOM 361 O ARG A 22 10.298 -3.459 3.357 1.00 0.00 O ATOM 362 CB ARG A 22 10.993 -5.201 0.557 1.00 0.00 C ATOM 363 CG ARG A 22 10.822 -6.536 -0.170 1.00 0.00 C ATOM 364 CD ARG A 22 12.188 -7.051 -0.628 1.00 0.00 C ATOM 365 NE ARG A 22 11.999 -8.201 -1.556 1.00 0.00 N ATOM 366 CZ ARG A 22 12.988 -8.605 -2.306 1.00 0.00 C ATOM 367 NH1 ARG A 22 13.785 -7.734 -2.859 1.00 0.00 N ATOM 368 NH2 ARG A 22 13.180 -9.881 -2.502 1.00 0.00 N ATOM 0 H ARG A 22 8.711 -4.984 2.338 1.00 0.00 H new ATOM 0 HA ARG A 22 11.432 -6.216 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.275 -4.474 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.987 -4.796 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.351 -7.264 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.162 -6.412 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.740 -6.255 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.780 -7.359 0.234 1.00 0.00 H new ATOM 0 HE ARG A 22 11.096 -8.673 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.636 -6.737 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.558 -8.050 -3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.557 -10.563 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.953 -10.196 -3.088 1.00 0.00 H new ATOM 382 N GLU A 23 12.408 -3.791 2.844 1.00 0.00 N ATOM 383 CA GLU A 23 12.827 -2.561 3.570 1.00 0.00 C ATOM 384 C GLU A 23 13.980 -1.881 2.832 1.00 0.00 C ATOM 385 O GLU A 23 14.705 -1.100 3.414 1.00 0.00 O ATOM 386 CB GLU A 23 13.301 -2.942 4.972 1.00 0.00 C ATOM 387 CG GLU A 23 12.241 -3.805 5.660 1.00 0.00 C ATOM 388 CD GLU A 23 12.615 -5.282 5.516 1.00 0.00 C ATOM 389 OE1 GLU A 23 13.498 -5.575 4.726 1.00 0.00 O ATOM 390 OE2 GLU A 23 12.012 -6.094 6.199 1.00 0.00 O ATOM 0 H GLU A 23 13.164 -4.313 2.401 1.00 0.00 H new ATOM 0 HA GLU A 23 11.979 -1.878 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.243 -3.486 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.489 -2.043 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.168 -3.538 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.263 -3.621 5.216 1.00 0.00 H new ATOM 397 N GLU A 24 14.161 -2.163 1.567 1.00 0.00 N ATOM 398 CA GLU A 24 15.281 -1.526 0.814 1.00 0.00 C ATOM 399 C GLU A 24 15.567 -2.324 -0.461 1.00 0.00 C ATOM 400 O GLU A 24 15.528 -3.539 -0.468 1.00 0.00 O ATOM 401 CB GLU A 24 16.537 -1.511 1.697 1.00 0.00 C ATOM 402 CG GLU A 24 17.785 -1.275 0.842 1.00 0.00 C ATOM 403 CD GLU A 24 19.014 -1.223 1.752 1.00 0.00 C ATOM 404 OE1 GLU A 24 18.849 -1.419 2.945 1.00 0.00 O ATOM 405 OE2 GLU A 24 20.096 -0.988 1.242 1.00 0.00 O ATOM 0 H GLU A 24 13.583 -2.805 1.025 1.00 0.00 H new ATOM 0 HA GLU A 24 15.005 -0.506 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.451 -0.728 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.627 -2.458 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.894 -2.073 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.689 -0.342 0.286 1.00 0.00 H new ATOM 412 N GLY A 25 15.877 -1.649 -1.534 1.00 0.00 N ATOM 413 CA GLY A 25 16.192 -2.368 -2.800 1.00 0.00 C ATOM 414 C GLY A 25 17.640 -2.858 -2.728 1.00 0.00 C ATOM 415 O GLY A 25 18.077 -3.327 -1.697 1.00 0.00 O ATOM 0 H GLY A 25 15.926 -0.632 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.513 -3.209 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.057 -1.706 -3.656 1.00 0.00 H new ATOM 419 N PRO A 26 18.354 -2.722 -3.816 1.00 0.00 N ATOM 420 CA PRO A 26 19.764 -3.134 -3.872 1.00 0.00 C ATOM 421 C PRO A 26 20.567 -2.360 -2.822 1.00 0.00 C ATOM 422 O PRO A 26 21.403 -2.910 -2.134 1.00 0.00 O ATOM 423 CB PRO A 26 20.224 -2.774 -5.292 1.00 0.00 C ATOM 424 CG PRO A 26 19.002 -2.192 -6.048 1.00 0.00 C ATOM 425 CD PRO A 26 17.819 -2.157 -5.067 1.00 0.00 C ATOM 0 HA PRO A 26 19.905 -4.194 -3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 26 21.035 -2.047 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 26 20.607 -3.656 -5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 26 19.222 -1.190 -6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.761 -2.806 -6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 26 17.457 -1.140 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.979 -2.743 -5.439 1.00 0.00 H new ATOM 433 N ALA A 27 20.313 -1.086 -2.697 1.00 0.00 N ATOM 434 CA ALA A 27 21.053 -0.270 -1.695 1.00 0.00 C ATOM 435 C ALA A 27 20.680 1.204 -1.858 1.00 0.00 C ATOM 436 O ALA A 27 19.910 1.751 -1.093 1.00 0.00 O ATOM 437 CB ALA A 27 22.552 -0.442 -1.925 1.00 0.00 C ATOM 0 H ALA A 27 19.623 -0.575 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 27 20.792 -0.598 -0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.103 0.152 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 27 22.819 -1.493 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.806 -0.108 -2.931 1.00 0.00 H new ATOM 443 N HIS A 28 21.232 1.846 -2.851 1.00 0.00 N ATOM 444 CA HIS A 28 20.938 3.293 -3.094 1.00 0.00 C ATOM 445 C HIS A 28 19.469 3.599 -2.785 1.00 0.00 C ATOM 446 O HIS A 28 18.569 3.004 -3.343 1.00 0.00 O ATOM 447 CB HIS A 28 21.221 3.644 -4.562 1.00 0.00 C ATOM 448 CG HIS A 28 21.178 2.398 -5.408 1.00 0.00 C ATOM 449 ND1 HIS A 28 22.161 2.104 -6.339 1.00 0.00 N ATOM 450 CD2 HIS A 28 20.287 1.353 -5.461 1.00 0.00 C ATOM 451 CE1 HIS A 28 21.843 0.928 -6.908 1.00 0.00 C ATOM 452 NE2 HIS A 28 20.710 0.427 -6.409 1.00 0.00 N ATOM 0 H HIS A 28 21.883 1.426 -3.515 1.00 0.00 H new ATOM 0 HA HIS A 28 21.576 3.888 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 28 20.484 4.363 -4.921 1.00 0.00 H new ATOM 0 HB3 HIS A 28 22.198 4.119 -4.649 1.00 0.00 H new ATOM 0 HD1 HIS A 28 22.978 2.676 -6.554 1.00 0.00 H new ATOM 0 HD2 HIS A 28 19.395 1.264 -4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 28 22.432 0.447 -7.675 1.00 0.00 H new ATOM 460 N MET A 29 19.225 4.536 -1.907 1.00 0.00 N ATOM 461 CA MET A 29 17.820 4.900 -1.566 1.00 0.00 C ATOM 462 C MET A 29 17.138 3.741 -0.836 1.00 0.00 C ATOM 463 O MET A 29 16.647 2.813 -1.449 1.00 0.00 O ATOM 464 CB MET A 29 17.049 5.209 -2.851 1.00 0.00 C ATOM 465 CG MET A 29 16.325 6.549 -2.708 1.00 0.00 C ATOM 466 SD MET A 29 16.589 7.537 -4.201 1.00 0.00 S ATOM 467 CE MET A 29 16.622 9.159 -3.401 1.00 0.00 C ATOM 0 H MET A 29 19.941 5.066 -1.410 1.00 0.00 H new ATOM 0 HA MET A 29 17.828 5.776 -0.918 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.734 5.243 -3.698 1.00 0.00 H new ATOM 0 HB3 MET A 29 16.330 4.416 -3.055 1.00 0.00 H new ATOM 0 HG2 MET A 29 15.259 6.384 -2.552 1.00 0.00 H new ATOM 0 HG3 MET A 29 16.696 7.084 -1.834 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.777 9.933 -4.153 1.00 0.00 H new ATOM 0 HE2 MET A 29 15.674 9.333 -2.892 1.00 0.00 H new ATOM 0 HE3 MET A 29 17.435 9.190 -2.675 1.00 0.00 H new ATOM 477 N LYS A 30 17.089 3.792 0.467 1.00 0.00 N ATOM 478 CA LYS A 30 16.422 2.697 1.226 1.00 0.00 C ATOM 479 C LYS A 30 14.920 2.740 0.931 1.00 0.00 C ATOM 480 O LYS A 30 14.208 3.611 1.403 1.00 0.00 O ATOM 481 CB LYS A 30 16.661 2.891 2.726 1.00 0.00 C ATOM 482 CG LYS A 30 17.877 2.066 3.158 1.00 0.00 C ATOM 483 CD LYS A 30 18.274 2.447 4.586 1.00 0.00 C ATOM 484 CE LYS A 30 19.527 1.669 4.994 1.00 0.00 C ATOM 485 NZ LYS A 30 19.443 1.314 6.439 1.00 0.00 N ATOM 0 H LYS A 30 17.481 4.542 1.037 1.00 0.00 H new ATOM 0 HA LYS A 30 16.831 1.732 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.827 3.946 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.780 2.583 3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.645 1.002 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.710 2.244 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.462 3.519 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.457 2.227 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.619 0.765 4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.418 2.269 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.294 0.785 6.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 19.375 2.183 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 18.601 0.726 6.604 1.00 0.00 H new ATOM 499 N ASN A 31 14.438 1.816 0.136 1.00 0.00 N ATOM 500 CA ASN A 31 12.988 1.810 -0.212 1.00 0.00 C ATOM 501 C ASN A 31 12.267 0.652 0.471 1.00 0.00 C ATOM 502 O ASN A 31 12.775 -0.445 0.570 1.00 0.00 O ATOM 503 CB ASN A 31 12.820 1.661 -1.722 1.00 0.00 C ATOM 504 CG ASN A 31 13.762 2.626 -2.444 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.907 3.765 -2.044 1.00 0.00 O ATOM 506 ND2 ASN A 31 14.415 2.218 -3.498 1.00 0.00 N ATOM 0 H ASN A 31 14.988 1.067 -0.285 1.00 0.00 H new ATOM 0 HA ASN A 31 12.558 2.752 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.035 0.635 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.787 1.866 -2.005 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.046 2.854 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 31 14.294 1.263 -3.835 1.00 0.00 H new ATOM 513 N PHE A 32 11.068 0.895 0.921 1.00 0.00 N ATOM 514 CA PHE A 32 10.278 -0.174 1.579 1.00 0.00 C ATOM 515 C PHE A 32 9.136 -0.589 0.642 1.00 0.00 C ATOM 516 O PHE A 32 8.350 0.239 0.199 1.00 0.00 O ATOM 517 CB PHE A 32 9.688 0.364 2.885 1.00 0.00 C ATOM 518 CG PHE A 32 10.693 0.232 4.006 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.051 0.470 3.766 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.261 -0.124 5.289 1.00 0.00 C ATOM 521 CE1 PHE A 32 12.977 0.348 4.810 1.00 0.00 C ATOM 522 CE2 PHE A 32 11.186 -0.243 6.332 1.00 0.00 C ATOM 523 CZ PHE A 32 12.544 -0.008 6.091 1.00 0.00 C ATOM 0 H PHE A 32 10.600 1.799 0.859 1.00 0.00 H new ATOM 0 HA PHE A 32 10.916 -1.031 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.406 1.410 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.780 -0.184 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.385 0.747 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 32 9.213 -0.307 5.474 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.026 0.529 4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.852 -0.516 7.322 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.259 -0.102 6.895 1.00 0.00 H new ATOM 533 N ILE A 33 9.021 -1.860 0.349 1.00 0.00 N ATOM 534 CA ILE A 33 7.918 -2.313 -0.537 1.00 0.00 C ATOM 535 C ILE A 33 6.781 -2.784 0.357 1.00 0.00 C ATOM 536 O ILE A 33 6.965 -3.627 1.213 1.00 0.00 O ATOM 537 CB ILE A 33 8.378 -3.467 -1.431 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.868 -3.308 -1.771 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.551 -3.473 -2.718 1.00 0.00 C ATOM 540 CD1 ILE A 33 10.043 -2.243 -2.855 1.00 0.00 C ATOM 0 H ILE A 33 9.642 -2.596 0.685 1.00 0.00 H new ATOM 0 HA ILE A 33 7.599 -1.495 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 33 8.236 -4.410 -0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.426 -3.026 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.275 -4.259 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.877 -4.294 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.497 -3.601 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.689 -2.528 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.102 -2.135 -3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.500 -2.543 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.653 -1.291 -2.496 1.00 0.00 H new ATOM 552 N THR A 34 5.618 -2.234 0.198 1.00 0.00 N ATOM 553 CA THR A 34 4.499 -2.647 1.081 1.00 0.00 C ATOM 554 C THR A 34 3.347 -3.231 0.266 1.00 0.00 C ATOM 555 O THR A 34 2.723 -2.558 -0.532 1.00 0.00 O ATOM 556 CB THR A 34 4.021 -1.429 1.874 1.00 0.00 C ATOM 557 OG1 THR A 34 4.965 -1.137 2.894 1.00 0.00 O ATOM 558 CG2 THR A 34 2.654 -1.710 2.507 1.00 0.00 C ATOM 0 H THR A 34 5.392 -1.523 -0.498 1.00 0.00 H new ATOM 0 HA THR A 34 4.849 -3.421 1.764 1.00 0.00 H new ATOM 0 HB THR A 34 3.927 -0.578 1.200 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.865 -1.366 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.326 -0.835 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.929 -1.931 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.733 -2.564 3.180 1.00 0.00 H new ATOM 566 N ALA A 35 3.055 -4.484 0.477 1.00 0.00 N ATOM 567 CA ALA A 35 1.933 -5.128 -0.259 1.00 0.00 C ATOM 568 C ALA A 35 0.610 -4.737 0.400 1.00 0.00 C ATOM 569 O ALA A 35 0.325 -5.142 1.506 1.00 0.00 O ATOM 570 CB ALA A 35 2.095 -6.640 -0.180 1.00 0.00 C ATOM 0 H ALA A 35 3.548 -5.092 1.131 1.00 0.00 H new ATOM 0 HA ALA A 35 1.938 -4.804 -1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.278 -7.122 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.045 -6.928 -0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.079 -6.954 0.864 1.00 0.00 H new ATOM 576 N CYS A 36 -0.220 -3.975 -0.264 1.00 0.00 N ATOM 577 CA CYS A 36 -1.520 -3.603 0.365 1.00 0.00 C ATOM 578 C CYS A 36 -2.628 -4.341 -0.391 1.00 0.00 C ATOM 579 O CYS A 36 -2.865 -4.089 -1.547 1.00 0.00 O ATOM 580 CB CYS A 36 -1.743 -2.069 0.317 1.00 0.00 C ATOM 581 SG CYS A 36 -0.490 -1.253 -0.707 1.00 0.00 S ATOM 0 H CYS A 36 -0.058 -3.600 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.525 -3.889 1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.735 -1.856 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.710 -1.663 1.328 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.421 -1.845 -1.862 1.00 0.00 H new ATOM 587 N ILE A 37 -3.275 -5.286 0.240 1.00 0.00 N ATOM 588 CA ILE A 37 -4.331 -6.072 -0.469 1.00 0.00 C ATOM 589 C ILE A 37 -5.640 -5.292 -0.544 1.00 0.00 C ATOM 590 O ILE A 37 -6.075 -4.688 0.432 1.00 0.00 O ATOM 591 CB ILE A 37 -4.584 -7.393 0.274 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.283 -8.396 -0.647 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.480 -7.144 1.483 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.688 -7.900 -0.998 1.00 0.00 C ATOM 0 H ILE A 37 -3.119 -5.548 1.213 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.978 -6.269 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.623 -7.795 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.700 -8.533 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.344 -9.368 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.656 -8.084 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.993 -6.439 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.432 -6.730 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.175 -8.622 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.272 -7.787 -0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.618 -6.938 -1.506 1.00 0.00 H new ATOM 606 N VAL A 38 -6.271 -5.362 -1.699 1.00 0.00 N ATOM 607 CA VAL A 38 -7.587 -4.699 -1.939 1.00 0.00 C ATOM 608 C VAL A 38 -8.570 -5.758 -2.437 1.00 0.00 C ATOM 609 O VAL A 38 -8.246 -6.554 -3.293 1.00 0.00 O ATOM 610 CB VAL A 38 -7.481 -3.632 -3.029 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.536 -2.244 -2.403 1.00 0.00 C ATOM 612 CG2 VAL A 38 -6.179 -3.807 -3.809 1.00 0.00 C ATOM 0 H VAL A 38 -5.910 -5.870 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.913 -4.234 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.319 -3.743 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.460 -1.489 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.480 -2.122 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.708 -2.127 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.113 -3.042 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.332 -3.710 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.162 -4.794 -4.272 1.00 0.00 H new ATOM 622 N GLY A 39 -9.766 -5.754 -1.930 1.00 0.00 N ATOM 623 CA GLY A 39 -10.786 -6.743 -2.385 1.00 0.00 C ATOM 624 C GLY A 39 -10.160 -8.132 -2.536 1.00 0.00 C ATOM 625 O GLY A 39 -10.167 -8.929 -1.619 1.00 0.00 O ATOM 0 H GLY A 39 -10.088 -5.104 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.606 -6.784 -1.668 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.210 -6.424 -3.337 1.00 0.00 H new ATOM 629 N SER A 40 -9.628 -8.436 -3.690 1.00 0.00 N ATOM 630 CA SER A 40 -9.019 -9.782 -3.895 1.00 0.00 C ATOM 631 C SER A 40 -7.686 -9.663 -4.644 1.00 0.00 C ATOM 632 O SER A 40 -6.965 -10.629 -4.794 1.00 0.00 O ATOM 633 CB SER A 40 -9.979 -10.652 -4.707 1.00 0.00 C ATOM 634 OG SER A 40 -9.521 -11.998 -4.691 1.00 0.00 O ATOM 0 H SER A 40 -9.589 -7.813 -4.497 1.00 0.00 H new ATOM 0 HA SER A 40 -8.835 -10.236 -2.921 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.984 -10.593 -4.289 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.039 -10.288 -5.733 1.00 0.00 H new ATOM 0 HG SER A 40 -8.542 -12.011 -4.736 1.00 0.00 H new ATOM 640 N ILE A 41 -7.345 -8.493 -5.111 1.00 0.00 N ATOM 641 CA ILE A 41 -6.056 -8.330 -5.839 1.00 0.00 C ATOM 642 C ILE A 41 -5.094 -7.553 -4.947 1.00 0.00 C ATOM 643 O ILE A 41 -5.475 -6.589 -4.314 1.00 0.00 O ATOM 644 CB ILE A 41 -6.292 -7.556 -7.137 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.403 -8.235 -7.942 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.004 -7.535 -7.963 1.00 0.00 C ATOM 647 CD1 ILE A 41 -8.512 -7.223 -8.236 1.00 0.00 C ATOM 0 H ILE A 41 -7.903 -7.644 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.637 -9.307 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.587 -6.534 -6.900 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.001 -8.631 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.806 -9.080 -7.384 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.174 -6.983 -8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.213 -7.050 -7.391 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.707 -8.557 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.303 -7.706 -8.809 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.921 -6.848 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.103 -6.392 -8.811 1.00 0.00 H new ATOM 659 N VAL A 42 -3.857 -7.956 -4.871 1.00 0.00 N ATOM 660 CA VAL A 42 -2.913 -7.213 -3.992 1.00 0.00 C ATOM 661 C VAL A 42 -2.192 -6.128 -4.773 1.00 0.00 C ATOM 662 O VAL A 42 -1.593 -6.364 -5.804 1.00 0.00 O ATOM 663 CB VAL A 42 -1.852 -8.135 -3.397 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.717 -7.847 -1.903 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.235 -9.602 -3.612 1.00 0.00 C ATOM 0 H VAL A 42 -3.463 -8.754 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.512 -6.778 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.900 -7.951 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.960 -8.503 -1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.421 -6.808 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.673 -8.024 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.467 -10.245 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.191 -9.803 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.320 -9.803 -4.680 1.00 0.00 H new ATOM 675 N THR A 43 -2.215 -4.951 -4.247 1.00 0.00 N ATOM 676 CA THR A 43 -1.500 -3.821 -4.887 1.00 0.00 C ATOM 677 C THR A 43 -0.400 -3.378 -3.928 1.00 0.00 C ATOM 678 O THR A 43 -0.644 -2.663 -2.981 1.00 0.00 O ATOM 679 CB THR A 43 -2.457 -2.649 -5.130 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.936 -2.167 -3.884 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.637 -3.106 -5.988 1.00 0.00 C ATOM 0 H THR A 43 -2.706 -4.714 -3.385 1.00 0.00 H new ATOM 0 HA THR A 43 -1.090 -4.133 -5.847 1.00 0.00 H new ATOM 0 HB THR A 43 -1.925 -1.854 -5.652 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.180 -1.875 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.312 -2.267 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.269 -3.473 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.172 -3.905 -5.475 1.00 0.00 H new ATOM 689 N GLU A 44 0.807 -3.811 -4.136 1.00 0.00 N ATOM 690 CA GLU A 44 1.887 -3.398 -3.202 1.00 0.00 C ATOM 691 C GLU A 44 2.409 -2.028 -3.599 1.00 0.00 C ATOM 692 O GLU A 44 1.891 -1.382 -4.487 1.00 0.00 O ATOM 693 CB GLU A 44 3.041 -4.395 -3.243 1.00 0.00 C ATOM 694 CG GLU A 44 3.651 -4.419 -4.646 1.00 0.00 C ATOM 695 CD GLU A 44 3.480 -5.811 -5.255 1.00 0.00 C ATOM 696 OE1 GLU A 44 3.452 -6.768 -4.497 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.380 -5.898 -6.467 1.00 0.00 O ATOM 0 H GLU A 44 1.092 -4.424 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 44 1.476 -3.366 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.800 -4.119 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.685 -5.389 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.167 -3.673 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.708 -4.159 -4.598 1.00 0.00 H new ATOM 704 N GLY A 45 3.438 -1.583 -2.945 1.00 0.00 N ATOM 705 CA GLY A 45 4.007 -0.253 -3.278 1.00 0.00 C ATOM 706 C GLY A 45 5.500 -0.275 -2.989 1.00 0.00 C ATOM 707 O GLY A 45 6.018 -1.226 -2.444 1.00 0.00 O ATOM 0 H GLY A 45 3.911 -2.083 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.829 -0.018 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.520 0.525 -2.690 1.00 0.00 H new ATOM 711 N GLU A 46 6.198 0.757 -3.350 1.00 0.00 N ATOM 712 CA GLU A 46 7.655 0.788 -3.091 1.00 0.00 C ATOM 713 C GLU A 46 8.041 2.191 -2.640 1.00 0.00 C ATOM 714 O GLU A 46 8.592 2.968 -3.394 1.00 0.00 O ATOM 715 CB GLU A 46 8.414 0.428 -4.367 1.00 0.00 C ATOM 716 CG GLU A 46 7.555 0.728 -5.599 1.00 0.00 C ATOM 717 CD GLU A 46 8.388 0.508 -6.864 1.00 0.00 C ATOM 718 OE1 GLU A 46 8.582 -0.639 -7.229 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.820 1.491 -7.443 1.00 0.00 O ATOM 0 H GLU A 46 5.821 1.583 -3.815 1.00 0.00 H new ATOM 0 HA GLU A 46 7.909 0.066 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.344 0.994 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.684 -0.628 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.678 0.081 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.193 1.756 -5.562 1.00 0.00 H new ATOM 726 N GLY A 47 7.753 2.523 -1.413 1.00 0.00 N ATOM 727 CA GLY A 47 8.104 3.884 -0.916 1.00 0.00 C ATOM 728 C GLY A 47 9.547 3.881 -0.430 1.00 0.00 C ATOM 729 O GLY A 47 10.323 3.010 -0.770 1.00 0.00 O ATOM 0 H GLY A 47 7.292 1.916 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.977 4.619 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.435 4.172 -0.105 1.00 0.00 H new ATOM 733 N ASN A 48 9.914 4.837 0.374 1.00 0.00 N ATOM 734 CA ASN A 48 11.305 4.865 0.894 1.00 0.00 C ATOM 735 C ASN A 48 11.345 4.067 2.198 1.00 0.00 C ATOM 736 O ASN A 48 10.477 3.263 2.472 1.00 0.00 O ATOM 737 CB ASN A 48 11.743 6.313 1.154 1.00 0.00 C ATOM 738 CG ASN A 48 11.646 7.119 -0.142 1.00 0.00 C ATOM 739 OD1 ASN A 48 11.586 6.557 -1.217 1.00 0.00 O ATOM 740 ND2 ASN A 48 11.632 8.423 -0.084 1.00 0.00 N ATOM 0 H ASN A 48 9.313 5.597 0.692 1.00 0.00 H new ATOM 0 HA ASN A 48 11.985 4.427 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.112 6.762 1.921 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.766 6.332 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.571 8.971 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.682 8.894 0.819 1.00 0.00 H new ATOM 747 N GLY A 49 12.334 4.287 3.006 1.00 0.00 N ATOM 748 CA GLY A 49 12.423 3.548 4.296 1.00 0.00 C ATOM 749 C GLY A 49 12.092 4.494 5.456 1.00 0.00 C ATOM 750 O GLY A 49 12.506 5.636 5.474 1.00 0.00 O ATOM 0 H GLY A 49 13.091 4.949 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.731 2.705 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.425 3.138 4.423 1.00 0.00 H new ATOM 754 N LYS A 50 11.351 4.019 6.424 1.00 0.00 N ATOM 755 CA LYS A 50 10.992 4.874 7.595 1.00 0.00 C ATOM 756 C LYS A 50 9.819 5.795 7.241 1.00 0.00 C ATOM 757 O LYS A 50 9.856 6.507 6.256 1.00 0.00 O ATOM 758 CB LYS A 50 12.200 5.718 8.005 1.00 0.00 C ATOM 759 CG LYS A 50 12.301 5.756 9.531 1.00 0.00 C ATOM 760 CD LYS A 50 12.661 4.362 10.051 1.00 0.00 C ATOM 761 CE LYS A 50 11.479 3.790 10.838 1.00 0.00 C ATOM 762 NZ LYS A 50 11.008 4.796 11.831 1.00 0.00 N ATOM 0 H LYS A 50 10.977 3.070 6.454 1.00 0.00 H new ATOM 0 HA LYS A 50 10.698 4.230 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.112 5.298 7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.101 6.729 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.058 6.478 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.355 6.084 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.909 3.704 9.218 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.544 4.417 10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.669 3.528 10.158 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.777 2.873 11.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.718 4.312 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.779 5.461 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.198 5.318 11.439 1.00 0.00 H new ATOM 776 N LYS A 51 8.787 5.777 8.053 1.00 0.00 N ATOM 777 CA LYS A 51 7.584 6.637 7.814 1.00 0.00 C ATOM 778 C LYS A 51 7.376 6.879 6.318 1.00 0.00 C ATOM 779 O LYS A 51 7.548 7.977 5.827 1.00 0.00 O ATOM 780 CB LYS A 51 7.753 7.978 8.536 1.00 0.00 C ATOM 781 CG LYS A 51 8.987 8.710 8.003 1.00 0.00 C ATOM 782 CD LYS A 51 10.168 8.472 8.946 1.00 0.00 C ATOM 783 CE LYS A 51 10.572 9.793 9.608 1.00 0.00 C ATOM 784 NZ LYS A 51 10.048 9.832 11.002 1.00 0.00 N ATOM 0 H LYS A 51 8.728 5.191 8.886 1.00 0.00 H new ATOM 0 HA LYS A 51 6.708 6.120 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.865 8.593 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.854 7.812 9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.230 8.354 7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.783 9.778 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.897 7.740 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.011 8.058 8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.657 9.892 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.178 10.634 9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.322 10.729 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.011 9.756 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.444 9.038 11.544 1.00 0.00 H new ATOM 798 N VAL A 52 6.999 5.865 5.589 1.00 0.00 N ATOM 799 CA VAL A 52 6.776 6.045 4.128 1.00 0.00 C ATOM 800 C VAL A 52 6.301 4.723 3.519 1.00 0.00 C ATOM 801 O VAL A 52 5.409 4.690 2.701 1.00 0.00 O ATOM 802 CB VAL A 52 8.087 6.513 3.472 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.891 5.324 2.939 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.764 7.462 2.316 1.00 0.00 C ATOM 0 H VAL A 52 6.836 4.922 5.941 1.00 0.00 H new ATOM 0 HA VAL A 52 6.009 6.800 3.954 1.00 0.00 H new ATOM 0 HB VAL A 52 8.685 7.025 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.812 5.684 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.134 4.651 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.300 4.790 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.691 7.795 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.153 6.942 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.218 8.326 2.696 1.00 0.00 H new ATOM 814 N SER A 53 6.890 3.631 3.909 1.00 0.00 N ATOM 815 CA SER A 53 6.466 2.318 3.347 1.00 0.00 C ATOM 816 C SER A 53 4.941 2.197 3.421 1.00 0.00 C ATOM 817 O SER A 53 4.277 1.953 2.434 1.00 0.00 O ATOM 818 CB SER A 53 7.105 1.186 4.150 1.00 0.00 C ATOM 819 OG SER A 53 6.407 1.032 5.378 1.00 0.00 O ATOM 0 H SER A 53 7.646 3.588 4.592 1.00 0.00 H new ATOM 0 HA SER A 53 6.786 2.251 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.073 0.257 3.581 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.155 1.407 4.340 1.00 0.00 H new ATOM 0 HG SER A 53 6.974 0.554 6.019 1.00 0.00 H new ATOM 825 N LYS A 54 4.387 2.362 4.588 1.00 0.00 N ATOM 826 CA LYS A 54 2.906 2.255 4.743 1.00 0.00 C ATOM 827 C LYS A 54 2.210 3.233 3.793 1.00 0.00 C ATOM 828 O LYS A 54 1.580 2.836 2.828 1.00 0.00 O ATOM 829 CB LYS A 54 2.523 2.595 6.184 1.00 0.00 C ATOM 830 CG LYS A 54 1.678 1.464 6.772 1.00 0.00 C ATOM 831 CD LYS A 54 2.482 0.730 7.848 1.00 0.00 C ATOM 832 CE LYS A 54 1.678 0.688 9.149 1.00 0.00 C ATOM 833 NZ LYS A 54 2.553 0.217 10.259 1.00 0.00 N ATOM 0 H LYS A 54 4.897 2.568 5.447 1.00 0.00 H new ATOM 0 HA LYS A 54 2.593 1.238 4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.421 2.741 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.965 3.531 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.760 1.867 7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.384 0.769 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.711 -0.283 7.517 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.434 1.235 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.284 1.678 9.378 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.822 0.022 9.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.007 0.188 11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.908 -0.736 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.356 0.869 10.369 1.00 0.00 H new ATOM 847 N LYS A 55 2.312 4.507 4.065 1.00 0.00 N ATOM 848 CA LYS A 55 1.653 5.517 3.190 1.00 0.00 C ATOM 849 C LYS A 55 1.836 5.122 1.725 1.00 0.00 C ATOM 850 O LYS A 55 0.896 4.763 1.046 1.00 0.00 O ATOM 851 CB LYS A 55 2.294 6.888 3.419 1.00 0.00 C ATOM 852 CG LYS A 55 2.128 7.300 4.882 1.00 0.00 C ATOM 853 CD LYS A 55 2.786 8.664 5.102 1.00 0.00 C ATOM 854 CE LYS A 55 2.423 9.191 6.491 1.00 0.00 C ATOM 855 NZ LYS A 55 2.654 8.123 7.504 1.00 0.00 N ATOM 0 H LYS A 55 2.825 4.892 4.858 1.00 0.00 H new ATOM 0 HA LYS A 55 0.591 5.561 3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.352 6.853 3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.831 7.629 2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.070 7.348 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.582 6.555 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.868 8.576 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.454 9.367 4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.026 10.068 6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.380 9.506 6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.757 8.554 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.846 7.469 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.521 7.600 7.266 1.00 0.00 H new ATOM 869 N ARG A 56 3.045 5.200 1.242 1.00 0.00 N ATOM 870 CA ARG A 56 3.329 4.846 -0.177 1.00 0.00 C ATOM 871 C ARG A 56 2.465 3.664 -0.617 1.00 0.00 C ATOM 872 O ARG A 56 1.654 3.791 -1.506 1.00 0.00 O ATOM 873 CB ARG A 56 4.806 4.482 -0.323 1.00 0.00 C ATOM 874 CG ARG A 56 5.551 5.656 -0.957 1.00 0.00 C ATOM 875 CD ARG A 56 6.256 6.463 0.136 1.00 0.00 C ATOM 876 NE ARG A 56 6.839 7.703 -0.453 1.00 0.00 N ATOM 877 CZ ARG A 56 7.358 7.680 -1.651 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.584 7.739 -2.699 1.00 0.00 N ATOM 879 NH2 ARG A 56 8.653 7.598 -1.798 1.00 0.00 N ATOM 0 H ARG A 56 3.860 5.498 1.778 1.00 0.00 H new ATOM 0 HA ARG A 56 3.095 5.704 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.234 4.248 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.914 3.591 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.279 5.290 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.853 6.292 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.549 6.721 0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.041 5.863 0.596 1.00 0.00 H new ATOM 0 HE ARG A 56 6.832 8.572 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.573 7.803 -2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.990 7.721 -3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.257 7.552 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.060 7.580 -2.733 1.00 0.00 H new ATOM 893 N ALA A 57 2.634 2.515 -0.017 1.00 0.00 N ATOM 894 CA ALA A 57 1.814 1.345 -0.429 1.00 0.00 C ATOM 895 C ALA A 57 0.355 1.794 -0.598 1.00 0.00 C ATOM 896 O ALA A 57 -0.275 1.514 -1.595 1.00 0.00 O ATOM 897 CB ALA A 57 1.891 0.231 0.627 1.00 0.00 C ATOM 0 H ALA A 57 3.300 2.340 0.735 1.00 0.00 H new ATOM 0 HA ALA A 57 2.198 0.954 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.284 -0.616 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.927 -0.088 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.517 0.606 1.580 1.00 0.00 H new ATOM 903 N ALA A 58 -0.183 2.490 0.377 1.00 0.00 N ATOM 904 CA ALA A 58 -1.603 2.963 0.283 1.00 0.00 C ATOM 905 C ALA A 58 -1.814 3.788 -0.990 1.00 0.00 C ATOM 906 O ALA A 58 -2.655 3.466 -1.806 1.00 0.00 O ATOM 907 CB ALA A 58 -1.952 3.825 1.502 1.00 0.00 C ATOM 0 H ALA A 58 0.301 2.751 1.236 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.251 2.087 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.985 4.164 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.831 3.236 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.289 4.689 1.538 1.00 0.00 H new ATOM 913 N GLU A 59 -1.076 4.853 -1.174 1.00 0.00 N ATOM 914 CA GLU A 59 -1.267 5.667 -2.409 1.00 0.00 C ATOM 915 C GLU A 59 -1.330 4.717 -3.598 1.00 0.00 C ATOM 916 O GLU A 59 -2.180 4.821 -4.453 1.00 0.00 O ATOM 917 CB GLU A 59 -0.091 6.627 -2.599 1.00 0.00 C ATOM 918 CG GLU A 59 -0.287 7.861 -1.718 1.00 0.00 C ATOM 919 CD GLU A 59 0.590 9.002 -2.238 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.690 9.139 -3.446 1.00 0.00 O ATOM 921 OE2 GLU A 59 1.145 9.716 -1.421 1.00 0.00 O ATOM 0 H GLU A 59 -0.359 5.190 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.185 6.249 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.843 6.129 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.016 6.923 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.335 8.162 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.026 7.629 -0.685 1.00 0.00 H new ATOM 928 N LYS A 60 -0.437 3.775 -3.637 1.00 0.00 N ATOM 929 CA LYS A 60 -0.427 2.789 -4.745 1.00 0.00 C ATOM 930 C LYS A 60 -1.796 2.107 -4.805 1.00 0.00 C ATOM 931 O LYS A 60 -2.367 1.914 -5.860 1.00 0.00 O ATOM 932 CB LYS A 60 0.663 1.748 -4.465 1.00 0.00 C ATOM 933 CG LYS A 60 1.657 1.730 -5.626 1.00 0.00 C ATOM 934 CD LYS A 60 2.129 3.156 -5.915 1.00 0.00 C ATOM 935 CE LYS A 60 3.487 3.111 -6.615 1.00 0.00 C ATOM 936 NZ LYS A 60 3.295 3.298 -8.081 1.00 0.00 N ATOM 0 H LYS A 60 0.296 3.645 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.224 3.280 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.178 1.986 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.216 0.762 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.509 1.096 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.189 1.304 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.401 3.671 -6.542 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.205 3.721 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.138 3.891 -6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.977 2.157 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.218 3.268 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.688 2.539 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.844 4.218 -8.257 1.00 0.00 H new ATOM 950 N MET A 61 -2.317 1.747 -3.666 1.00 0.00 N ATOM 951 CA MET A 61 -3.642 1.075 -3.597 1.00 0.00 C ATOM 952 C MET A 61 -4.755 2.030 -4.043 1.00 0.00 C ATOM 953 O MET A 61 -5.333 1.878 -5.102 1.00 0.00 O ATOM 954 CB MET A 61 -3.879 0.659 -2.147 1.00 0.00 C ATOM 955 CG MET A 61 -5.343 0.291 -1.941 1.00 0.00 C ATOM 956 SD MET A 61 -5.434 -1.026 -0.715 1.00 0.00 S ATOM 957 CE MET A 61 -4.603 -2.268 -1.730 1.00 0.00 C ATOM 0 H MET A 61 -1.869 1.894 -2.761 1.00 0.00 H new ATOM 0 HA MET A 61 -3.652 0.208 -4.258 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.244 -0.190 -1.896 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.603 1.473 -1.477 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.909 1.160 -1.606 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.788 -0.035 -2.881 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.908 -3.264 -1.409 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.875 -2.125 -2.776 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.524 -2.166 -1.619 1.00 0.00 H new ATOM 967 N LEU A 62 -5.078 3.004 -3.236 1.00 0.00 N ATOM 968 CA LEU A 62 -6.166 3.948 -3.621 1.00 0.00 C ATOM 969 C LEU A 62 -5.940 4.388 -5.064 1.00 0.00 C ATOM 970 O LEU A 62 -6.749 4.144 -5.934 1.00 0.00 O ATOM 971 CB LEU A 62 -6.153 5.157 -2.681 1.00 0.00 C ATOM 972 CG LEU A 62 -6.421 4.738 -1.211 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.406 5.723 -0.586 1.00 0.00 C ATOM 974 CD2 LEU A 62 -7.038 3.332 -1.098 1.00 0.00 C ATOM 0 H LEU A 62 -4.639 3.186 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.138 3.461 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.188 5.660 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.909 5.875 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.459 4.736 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.601 5.437 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.982 6.727 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.340 5.710 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.204 3.091 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.989 3.308 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.359 2.600 -1.535 1.00 0.00 H new ATOM 986 N VAL A 63 -4.833 5.010 -5.336 1.00 0.00 N ATOM 987 CA VAL A 63 -4.551 5.433 -6.731 1.00 0.00 C ATOM 988 C VAL A 63 -4.842 4.257 -7.671 1.00 0.00 C ATOM 989 O VAL A 63 -5.369 4.427 -8.753 1.00 0.00 O ATOM 990 CB VAL A 63 -3.079 5.829 -6.845 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.734 6.108 -8.303 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.819 7.086 -6.012 1.00 0.00 C ATOM 0 H VAL A 63 -4.111 5.244 -4.654 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.177 6.284 -7.001 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.458 5.013 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.684 6.390 -8.381 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.914 5.212 -8.897 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.357 6.922 -8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.769 7.367 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.442 7.901 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.060 6.887 -4.968 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.500 3.063 -7.258 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.748 1.864 -8.116 1.00 0.00 C ATOM 1004 C GLU A 64 -6.241 1.743 -8.447 1.00 0.00 C ATOM 1005 O GLU A 64 -6.640 1.862 -9.587 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.293 0.598 -7.384 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.037 0.040 -8.058 1.00 0.00 C ATOM 1008 CD GLU A 64 -3.442 -0.959 -9.144 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -4.596 -0.941 -9.538 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.590 -1.723 -9.564 1.00 0.00 O ATOM 0 H GLU A 64 -4.058 2.866 -6.360 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.183 1.979 -9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.087 0.825 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.088 -0.148 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.454 0.851 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.401 -0.448 -7.319 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.069 1.482 -7.467 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.530 1.328 -7.759 1.00 0.00 C ATOM 1019 C LEU A 65 -9.058 2.549 -8.523 1.00 0.00 C ATOM 1020 O LEU A 65 -10.006 2.447 -9.276 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.345 1.156 -6.470 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.608 1.762 -5.282 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.611 2.458 -4.360 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.900 0.645 -4.518 1.00 0.00 C ATOM 0 H LEU A 65 -6.803 1.370 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.644 0.433 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.318 1.634 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.529 0.097 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.877 2.491 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.084 2.892 -3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.124 3.247 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.341 1.732 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.369 1.068 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.636 -0.078 -4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.189 0.147 -5.177 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.468 3.701 -8.341 1.00 0.00 N ATOM 1037 CA GLN A 66 -8.973 4.902 -9.071 1.00 0.00 C ATOM 1038 C GLN A 66 -8.762 4.715 -10.575 1.00 0.00 C ATOM 1039 O GLN A 66 -9.579 5.114 -11.380 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.225 6.159 -8.603 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.451 6.401 -7.101 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.808 5.912 -6.666 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.814 6.181 -7.293 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.866 5.193 -5.597 1.00 0.00 N ATOM 0 H GLN A 66 -7.669 3.862 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.036 5.021 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.159 6.049 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.567 7.024 -9.171 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.677 5.891 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.359 7.465 -6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -9.013 4.976 -5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.765 4.842 -5.267 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.672 4.111 -10.959 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.409 3.900 -12.411 1.00 0.00 C ATOM 1055 C LYS A 67 -8.550 3.089 -13.029 1.00 0.00 C ATOM 1056 O LYS A 67 -8.915 3.285 -14.171 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.092 3.141 -12.584 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.020 4.096 -13.112 1.00 0.00 C ATOM 1059 CD LYS A 67 -5.005 5.368 -12.264 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.560 5.741 -11.927 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.723 5.642 -13.156 1.00 0.00 N ATOM 0 H LYS A 67 -6.952 3.754 -10.331 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.342 4.867 -12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.777 2.715 -11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.227 2.310 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.043 3.615 -13.081 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.221 4.344 -14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.485 6.184 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.575 5.213 -11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.518 6.754 -11.526 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.172 5.076 -11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.943 6.327 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.334 4.681 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.307 5.849 -13.991 1.00 0.00 H new ATOM 1075 N LEU A 68 -9.114 2.180 -12.285 1.00 0.00 N ATOM 1076 CA LEU A 68 -10.228 1.357 -12.827 1.00 0.00 C ATOM 1077 C LEU A 68 -11.376 2.269 -13.263 1.00 0.00 C ATOM 1078 O LEU A 68 -11.351 2.718 -14.397 1.00 0.00 O ATOM 1079 CB LEU A 68 -10.717 0.400 -11.739 1.00 0.00 C ATOM 1080 CG LEU A 68 -9.523 -0.344 -11.139 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -10.024 -1.468 -10.230 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -8.677 -0.940 -12.265 1.00 0.00 C ATOM 1083 OXT LEU A 68 -12.260 2.503 -12.457 1.00 0.00 O ATOM 0 H LEU A 68 -8.850 1.971 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.878 0.787 -13.688 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.242 0.955 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.429 -0.311 -12.158 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.918 0.351 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.172 -1.998 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.628 -1.045 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.629 -2.164 -10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.826 -1.471 -11.839 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.283 -1.634 -12.847 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.319 -0.140 -12.913 1.00 0.00 H new TER 1095 LEU A 68