USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1027 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: B 46 ASN :FLIP amide:sc= -2.42! C(o=-4.9!,f=-1.6!) USER MOD Set 1.2: B 48 GLN :FLIP amide:sc= 0.792 F(o=-3.4,f=-1.6) USER MOD Set 2.1: B 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: B 53 ASN :FLIP amide:sc= -2.49 F(o=-3.8!,f=-2.5) USER MOD Set 3.1: A 46 ASN : amide:sc= -2.5! C(o=-2.5!,f=-3!) USER MOD Set 3.2: A 48 GLN : amide:sc=-0.00998 X(o=-2.5,f=-2.6) USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 27 LYS NZ :NH3+ -148:sc= -2.64! (180deg=-5.48!) USER MOD Set 5.1: A 29 LYS NZ :NH3+ 144:sc= 0.104 (180deg=0) USER MOD Set 5.2: A 34 HIS : no HE2:sc= -4.5! C(o=-4.4!,f=-7.3!) USER MOD Set 6.1: A 30 SER OG : rot 107:sc= 0.943 USER MOD Set 6.2: B 66 MET CE :methyl -144:sc= -6.7! (180deg=-11.4!) USER MOD Set 7.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 53 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.5) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.663 K(o=-0.66,f=-3.1!) USER MOD Single : A 16 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.75 K(o=-0.75,f=-2.3!) USER MOD Single : A 24 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.032) USER MOD Single : A 25 SER OG : rot 180:sc= -1.33 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -0.283 (180deg=-2.21!) USER MOD Single : A 37 GLN : amide:sc= -0.531 K(o=-0.53,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -175:sc= 0.274 USER MOD Single : A 58 MET CE :methyl 162:sc= -0.461 (180deg=-2.07!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -146:sc= -3.9! (180deg=-8.55!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.17! C(o=-1.2!,f=-3.7!) USER MOD Single : B 10 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.046) USER MOD Single : B 13 GLN : amide:sc= -0.09 X(o=-0.09,f=-0.56) USER MOD Single : B 16 GLN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : B 19 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.22) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -0.823 K(o=-0.82,f=-2.1) USER MOD Single : B 24 GLN :FLIP amide:sc= -0.0475 F(o=-0.6,f=-0.048) USER MOD Single : B 25 SER OG : rot 180:sc= -1.19 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 90:sc= -0.763 USER MOD Single : B 34 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-5.6!) USER MOD Single : B 37 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 SER OG : rot 178:sc= 0.487 USER MOD Single : B 58 MET CE :methyl -171:sc= -0.0771 (180deg=-0.291) USER MOD Single : B 60 LYS NZ :NH3+ -119:sc= -0.263 (180deg=-2.55!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ -155:sc=-0.00445 (180deg=-0.255) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -3.869 -16.001 -10.559 1.00 0.00 N ATOM 50 CA ARG A 8 -3.449 -16.374 -9.219 1.00 0.00 C ATOM 51 C ARG A 8 -2.778 -15.187 -8.524 1.00 0.00 C ATOM 52 O ARG A 8 -3.182 -14.042 -8.715 1.00 0.00 O ATOM 53 CB ARG A 8 -2.475 -17.553 -9.255 1.00 0.00 C ATOM 54 CG ARG A 8 -2.893 -18.577 -10.312 1.00 0.00 C ATOM 55 CD ARG A 8 -1.943 -19.776 -10.319 1.00 0.00 C ATOM 56 NE ARG A 8 -1.867 -20.354 -11.679 1.00 0.00 N ATOM 57 CZ ARG A 8 -1.013 -21.323 -12.038 1.00 0.00 C ATOM 58 NH1 ARG A 8 -0.157 -21.827 -11.139 1.00 0.00 N ATOM 59 NH2 ARG A 8 -1.015 -21.787 -13.295 1.00 0.00 N ATOM 0 HA ARG A 8 -4.338 -16.670 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.469 -17.192 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.439 -18.030 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.910 -18.915 -10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.899 -18.108 -11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.951 -19.466 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.291 -20.530 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.505 -19.992 -12.388 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.155 -21.473 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.493 -22.564 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.667 -21.403 -13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.365 -22.524 -13.568 1.00 0.00 H new ATOM 73 N CYS A 9 -1.763 -15.503 -7.733 1.00 0.00 N ATOM 74 CA CYS A 9 -1.031 -14.477 -7.009 1.00 0.00 C ATOM 75 C CYS A 9 -0.072 -13.792 -7.985 1.00 0.00 C ATOM 76 O CYS A 9 0.291 -14.367 -9.010 1.00 0.00 O ATOM 77 CB CYS A 9 -0.297 -15.055 -5.797 1.00 0.00 C ATOM 78 SG CYS A 9 -1.377 -15.518 -4.395 1.00 0.00 S ATOM 0 H CYS A 9 -1.430 -16.455 -7.578 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.729 -13.741 -6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.261 -15.936 -6.114 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.433 -14.324 -5.449 1.00 0.00 H new ATOM 83 N GLN A 10 0.311 -12.575 -7.631 1.00 0.00 N ATOM 84 CA GLN A 10 1.221 -11.805 -8.462 1.00 0.00 C ATOM 85 C GLN A 10 2.663 -11.997 -7.988 1.00 0.00 C ATOM 86 O GLN A 10 3.594 -11.457 -8.585 1.00 0.00 O ATOM 87 CB GLN A 10 0.838 -10.324 -8.469 1.00 0.00 C ATOM 88 CG GLN A 10 1.238 -9.661 -9.789 1.00 0.00 C ATOM 89 CD GLN A 10 2.002 -8.359 -9.538 1.00 0.00 C ATOM 90 OE1 GLN A 10 3.175 -8.227 -9.849 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.274 -7.407 -8.961 1.00 0.00 N ATOM 0 H GLN A 10 0.008 -12.102 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 10 1.144 -12.170 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.237 -10.222 -8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.327 -9.814 -7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.857 -10.344 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.347 -9.456 -10.382 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.297 -7.583 -8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.693 -6.500 -8.753 1.00 0.00 H new ATOM 100 N CYS A 11 2.804 -12.767 -6.919 1.00 0.00 N ATOM 101 CA CYS A 11 4.117 -13.036 -6.358 1.00 0.00 C ATOM 102 C CYS A 11 4.128 -14.471 -5.827 1.00 0.00 C ATOM 103 O CYS A 11 3.200 -14.887 -5.135 1.00 0.00 O ATOM 104 CB CYS A 11 4.487 -12.023 -5.273 1.00 0.00 C ATOM 105 SG CYS A 11 6.019 -11.076 -5.597 1.00 0.00 S ATOM 0 H CYS A 11 2.030 -13.213 -6.426 1.00 0.00 H new ATOM 0 HA CYS A 11 4.875 -12.931 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.661 -11.321 -5.154 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.596 -12.550 -4.325 1.00 0.00 H new ATOM 110 N LEU A 12 5.188 -15.188 -6.171 1.00 0.00 N ATOM 111 CA LEU A 12 5.331 -16.567 -5.738 1.00 0.00 C ATOM 112 C LEU A 12 6.253 -16.620 -4.518 1.00 0.00 C ATOM 113 O LEU A 12 6.288 -17.622 -3.805 1.00 0.00 O ATOM 114 CB LEU A 12 5.796 -17.448 -6.899 1.00 0.00 C ATOM 115 CG LEU A 12 5.173 -17.143 -8.263 1.00 0.00 C ATOM 116 CD1 LEU A 12 6.154 -17.455 -9.395 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.845 -17.882 -8.436 1.00 0.00 C ATOM 0 H LEU A 12 5.956 -14.839 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 12 4.367 -16.971 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.879 -17.357 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.583 -18.487 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 12 4.956 -16.076 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.687 -17.230 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.051 -16.847 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.424 -18.511 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.423 -17.648 -9.413 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.014 -18.956 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.150 -17.569 -7.657 1.00 0.00 H new ATOM 129 N GLN A 13 6.977 -15.529 -4.315 1.00 0.00 N ATOM 130 CA GLN A 13 7.897 -15.439 -3.194 1.00 0.00 C ATOM 131 C GLN A 13 7.742 -14.091 -2.487 1.00 0.00 C ATOM 132 O GLN A 13 7.089 -13.186 -3.005 1.00 0.00 O ATOM 133 CB GLN A 13 9.341 -15.656 -3.651 1.00 0.00 C ATOM 134 CG GLN A 13 10.212 -16.155 -2.496 1.00 0.00 C ATOM 135 CD GLN A 13 11.175 -15.063 -2.024 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.179 -13.947 -2.518 1.00 0.00 O ATOM 137 NE2 GLN A 13 11.988 -15.445 -1.044 1.00 0.00 N ATOM 0 H GLN A 13 6.945 -14.700 -4.908 1.00 0.00 H new ATOM 0 HA GLN A 13 7.653 -16.229 -2.484 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.363 -16.379 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.747 -14.723 -4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.578 -16.469 -1.667 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.777 -17.031 -2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.932 -16.395 -0.676 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.668 -14.788 -0.660 1.00 0.00 H new ATOM 146 N THR A 14 8.352 -14.000 -1.315 1.00 0.00 N ATOM 147 CA THR A 14 8.290 -12.778 -0.532 1.00 0.00 C ATOM 148 C THR A 14 9.536 -12.643 0.346 1.00 0.00 C ATOM 149 O THR A 14 10.279 -13.607 0.529 1.00 0.00 O ATOM 150 CB THR A 14 6.984 -12.793 0.265 1.00 0.00 C ATOM 151 OG1 THR A 14 6.808 -14.162 0.617 1.00 0.00 O ATOM 152 CG2 THR A 14 5.765 -12.471 -0.602 1.00 0.00 C ATOM 0 H THR A 14 8.892 -14.753 -0.888 1.00 0.00 H new ATOM 0 HA THR A 14 8.286 -11.897 -1.174 1.00 0.00 H new ATOM 0 HB THR A 14 7.049 -12.073 1.081 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.984 -14.262 1.138 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.865 -12.495 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.880 -11.479 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.680 -13.210 -1.399 1.00 0.00 H new ATOM 160 N LEU A 15 9.727 -11.440 0.866 1.00 0.00 N ATOM 161 CA LEU A 15 10.870 -11.166 1.721 1.00 0.00 C ATOM 162 C LEU A 15 10.397 -11.024 3.169 1.00 0.00 C ATOM 163 O LEU A 15 9.349 -10.434 3.428 1.00 0.00 O ATOM 164 CB LEU A 15 11.646 -9.952 1.205 1.00 0.00 C ATOM 165 CG LEU A 15 12.234 -10.080 -0.202 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.328 -8.713 -0.883 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.584 -10.799 -0.169 1.00 0.00 C ATOM 0 H LEU A 15 9.109 -10.643 0.712 1.00 0.00 H new ATOM 0 HA LEU A 15 11.573 -11.999 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.983 -9.087 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.460 -9.744 1.900 1.00 0.00 H new ATOM 0 HG LEU A 15 11.559 -10.692 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.749 -8.832 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.333 -8.275 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.969 -8.057 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.980 -10.877 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.281 -10.235 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.454 -11.798 0.247 1.00 0.00 H new ATOM 179 N GLN A 16 11.192 -11.574 4.074 1.00 0.00 N ATOM 180 CA GLN A 16 10.867 -11.516 5.489 1.00 0.00 C ATOM 181 C GLN A 16 10.896 -10.067 5.981 1.00 0.00 C ATOM 182 O GLN A 16 10.455 -9.776 7.092 1.00 0.00 O ATOM 183 CB GLN A 16 11.820 -12.391 6.307 1.00 0.00 C ATOM 184 CG GLN A 16 11.783 -12.007 7.787 1.00 0.00 C ATOM 185 CD GLN A 16 12.313 -13.145 8.662 1.00 0.00 C ATOM 186 OE1 GLN A 16 13.458 -13.554 8.566 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.419 -13.631 9.518 1.00 0.00 N ATOM 0 H GLN A 16 12.061 -12.062 3.855 1.00 0.00 H new ATOM 0 HA GLN A 16 9.859 -11.907 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.545 -13.440 6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.835 -12.284 5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.381 -11.110 7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.761 -11.765 8.078 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.476 -13.242 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.676 -14.393 10.146 1.00 0.00 H new ATOM 196 N GLY A 17 11.418 -9.197 5.130 1.00 0.00 N ATOM 197 CA GLY A 17 11.510 -7.786 5.464 1.00 0.00 C ATOM 198 C GLY A 17 12.949 -7.283 5.333 1.00 0.00 C ATOM 199 O GLY A 17 13.764 -7.481 6.232 1.00 0.00 O ATOM 0 H GLY A 17 11.782 -9.442 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.859 -7.210 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.157 -7.626 6.483 1.00 0.00 H new ATOM 203 N ILE A 18 13.218 -6.643 4.204 1.00 0.00 N ATOM 204 CA ILE A 18 14.544 -6.111 3.944 1.00 0.00 C ATOM 205 C ILE A 18 14.593 -4.642 4.371 1.00 0.00 C ATOM 206 O ILE A 18 13.554 -4.008 4.545 1.00 0.00 O ATOM 207 CB ILE A 18 14.936 -6.339 2.482 1.00 0.00 C ATOM 208 CG1 ILE A 18 15.486 -7.751 2.276 1.00 0.00 C ATOM 209 CG2 ILE A 18 15.916 -5.266 2.003 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.847 -7.990 0.808 1.00 0.00 C ATOM 0 H ILE A 18 12.540 -6.481 3.459 1.00 0.00 H new ATOM 0 HA ILE A 18 15.289 -6.641 4.537 1.00 0.00 H new ATOM 0 HB ILE A 18 14.038 -6.251 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.368 -7.896 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.745 -8.484 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.178 -5.452 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 18 15.452 -4.284 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.817 -5.297 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.236 -9.001 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.957 -7.868 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.605 -7.271 0.498 1.00 0.00 H new ATOM 222 N HIS A 19 15.812 -4.146 4.529 1.00 0.00 N ATOM 223 CA HIS A 19 16.010 -2.764 4.934 1.00 0.00 C ATOM 224 C HIS A 19 15.138 -1.847 4.073 1.00 0.00 C ATOM 225 O HIS A 19 15.059 -2.022 2.858 1.00 0.00 O ATOM 226 CB HIS A 19 17.492 -2.391 4.884 1.00 0.00 C ATOM 227 CG HIS A 19 17.960 -1.574 6.065 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.293 -1.280 6.292 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.259 -0.992 7.079 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.379 -0.554 7.397 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.117 -0.377 7.884 1.00 0.00 N ATOM 0 H HIS A 19 16.672 -4.676 4.384 1.00 0.00 H new ATOM 0 HA HIS A 19 15.698 -2.636 5.970 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.084 -3.304 4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.685 -1.831 3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.187 -1.026 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.288 -0.170 7.835 1.00 0.00 H new ATOM 0 HE2 HIS A 19 17.873 0.142 8.727 1.00 0.00 H new ATOM 239 N LEU A 20 14.506 -0.891 4.737 1.00 0.00 N ATOM 240 CA LEU A 20 13.643 0.054 4.048 1.00 0.00 C ATOM 241 C LEU A 20 14.500 1.148 3.408 1.00 0.00 C ATOM 242 O LEU A 20 13.972 2.087 2.814 1.00 0.00 O ATOM 243 CB LEU A 20 12.569 0.589 4.996 1.00 0.00 C ATOM 244 CG LEU A 20 11.444 1.398 4.348 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.438 0.478 3.652 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.769 2.316 5.369 1.00 0.00 C ATOM 0 H LEU A 20 14.574 -0.750 5.745 1.00 0.00 H new ATOM 0 HA LEU A 20 13.104 -0.441 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.125 -0.255 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.054 1.214 5.746 1.00 0.00 H new ATOM 0 HG LEU A 20 11.882 2.037 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.649 1.078 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.946 -0.097 2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.002 -0.203 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.973 2.879 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.347 1.716 6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.505 3.008 5.779 1.00 0.00 H new ATOM 258 N LYS A 21 15.808 0.991 3.552 1.00 0.00 N ATOM 259 CA LYS A 21 16.743 1.954 2.996 1.00 0.00 C ATOM 260 C LYS A 21 16.701 1.876 1.468 1.00 0.00 C ATOM 261 O LYS A 21 17.120 2.808 0.784 1.00 0.00 O ATOM 262 CB LYS A 21 18.140 1.746 3.584 1.00 0.00 C ATOM 263 CG LYS A 21 18.398 2.714 4.740 1.00 0.00 C ATOM 264 CD LYS A 21 19.146 3.958 4.257 1.00 0.00 C ATOM 265 CE LYS A 21 20.620 3.904 4.664 1.00 0.00 C ATOM 266 NZ LYS A 21 21.435 4.758 3.772 1.00 0.00 N ATOM 0 H LYS A 21 16.242 0.211 4.046 1.00 0.00 H new ATOM 0 HA LYS A 21 16.454 2.968 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.241 0.719 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.891 1.893 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.450 3.008 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.979 2.214 5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.067 4.036 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.682 4.851 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.731 4.236 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.978 2.876 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.433 4.710 4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 21.343 4.423 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 21.103 5.742 3.835 1.00 0.00 H new ATOM 280 N ASN A 22 16.192 0.755 0.979 1.00 0.00 N ATOM 281 CA ASN A 22 16.090 0.543 -0.455 1.00 0.00 C ATOM 282 C ASN A 22 14.641 0.760 -0.896 1.00 0.00 C ATOM 283 O ASN A 22 14.388 1.401 -1.915 1.00 0.00 O ATOM 284 CB ASN A 22 16.490 -0.885 -0.831 1.00 0.00 C ATOM 285 CG ASN A 22 17.995 -0.983 -1.089 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.504 -0.555 -2.112 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.675 -1.568 -0.108 1.00 0.00 N ATOM 0 H ASN A 22 15.846 -0.016 1.550 1.00 0.00 H new ATOM 0 HA ASN A 22 16.761 1.247 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.210 -1.568 -0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.944 -1.197 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.686 -1.681 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.186 -1.904 0.722 1.00 0.00 H new ATOM 294 N ILE A 23 13.727 0.213 -0.108 1.00 0.00 N ATOM 295 CA ILE A 23 12.311 0.338 -0.404 1.00 0.00 C ATOM 296 C ILE A 23 11.946 1.820 -0.516 1.00 0.00 C ATOM 297 O ILE A 23 12.338 2.624 0.329 1.00 0.00 O ATOM 298 CB ILE A 23 11.477 -0.424 0.628 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.613 -1.936 0.435 1.00 0.00 C ATOM 300 CG2 ILE A 23 10.017 0.030 0.597 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.763 -2.649 1.780 1.00 0.00 C ATOM 0 H ILE A 23 13.941 -0.318 0.736 1.00 0.00 H new ATOM 0 HA ILE A 23 12.082 -0.121 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 23 11.865 -0.191 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.737 -2.320 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.478 -2.150 -0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.447 -0.527 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.962 1.095 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.600 -0.154 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.858 -3.722 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.653 -2.281 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.885 -2.453 2.396 1.00 0.00 H new ATOM 313 N GLN A 24 11.201 2.136 -1.564 1.00 0.00 N ATOM 314 CA GLN A 24 10.780 3.507 -1.797 1.00 0.00 C ATOM 315 C GLN A 24 9.261 3.627 -1.653 1.00 0.00 C ATOM 316 O GLN A 24 8.744 4.707 -1.370 1.00 0.00 O ATOM 317 CB GLN A 24 11.241 3.996 -3.172 1.00 0.00 C ATOM 318 CG GLN A 24 11.860 5.392 -3.077 1.00 0.00 C ATOM 319 CD GLN A 24 10.790 6.477 -3.223 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.573 7.293 -2.342 1.00 0.00 O ATOM 321 NE2 GLN A 24 10.137 6.441 -4.381 1.00 0.00 N ATOM 0 H GLN A 24 10.878 1.466 -2.262 1.00 0.00 H new ATOM 0 HA GLN A 24 11.248 4.143 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.970 3.298 -3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.394 4.015 -3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.368 5.504 -2.119 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.614 5.513 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.369 5.731 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.404 7.124 -4.575 1.00 0.00 H new ATOM 330 N SER A 25 8.589 2.504 -1.856 1.00 0.00 N ATOM 331 CA SER A 25 7.140 2.470 -1.752 1.00 0.00 C ATOM 332 C SER A 25 6.671 1.048 -1.435 1.00 0.00 C ATOM 333 O SER A 25 7.381 0.081 -1.707 1.00 0.00 O ATOM 334 CB SER A 25 6.484 2.969 -3.041 1.00 0.00 C ATOM 335 OG SER A 25 7.399 2.989 -4.133 1.00 0.00 O ATOM 0 H SER A 25 9.021 1.611 -2.092 1.00 0.00 H new ATOM 0 HA SER A 25 6.840 3.134 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.638 2.328 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.088 3.972 -2.881 1.00 0.00 H new ATOM 0 HG SER A 25 6.941 3.312 -4.937 1.00 0.00 H new ATOM 341 N VAL A 26 5.479 0.966 -0.862 1.00 0.00 N ATOM 342 CA VAL A 26 4.907 -0.320 -0.504 1.00 0.00 C ATOM 343 C VAL A 26 3.506 -0.436 -1.107 1.00 0.00 C ATOM 344 O VAL A 26 2.710 0.498 -1.022 1.00 0.00 O ATOM 345 CB VAL A 26 4.921 -0.495 1.016 1.00 0.00 C ATOM 346 CG1 VAL A 26 4.027 -1.661 1.442 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.349 -0.680 1.533 1.00 0.00 C ATOM 0 H VAL A 26 4.894 1.770 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 26 5.506 -1.132 -0.916 1.00 0.00 H new ATOM 0 HB VAL A 26 4.519 0.415 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.055 -1.764 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.003 -1.470 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.385 -2.582 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.331 -0.802 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.790 -1.566 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.945 0.196 1.277 1.00 0.00 H new ATOM 357 N LYS A 27 3.246 -1.591 -1.702 1.00 0.00 N ATOM 358 CA LYS A 27 1.954 -1.841 -2.318 1.00 0.00 C ATOM 359 C LYS A 27 1.396 -3.169 -1.802 1.00 0.00 C ATOM 360 O LYS A 27 2.070 -4.196 -1.864 1.00 0.00 O ATOM 361 CB LYS A 27 2.065 -1.772 -3.843 1.00 0.00 C ATOM 362 CG LYS A 27 0.732 -1.364 -4.472 1.00 0.00 C ATOM 363 CD LYS A 27 -0.262 -2.526 -4.454 1.00 0.00 C ATOM 364 CE LYS A 27 -0.549 -3.025 -5.871 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.222 -4.464 -5.991 1.00 0.00 N ATOM 0 H LYS A 27 3.908 -2.364 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 27 1.242 -1.065 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.838 -1.056 -4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.373 -2.742 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.315 -0.516 -3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.896 -1.037 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.138 -3.342 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.191 -2.207 -3.982 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.599 -2.863 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.036 -2.452 -6.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.418 -4.608 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.242 -4.789 -5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.096 -5.007 -6.141 1.00 0.00 H new ATOM 379 N VAL A 28 0.170 -3.105 -1.303 1.00 0.00 N ATOM 380 CA VAL A 28 -0.487 -4.289 -0.777 1.00 0.00 C ATOM 381 C VAL A 28 -1.585 -4.732 -1.746 1.00 0.00 C ATOM 382 O VAL A 28 -2.375 -3.912 -2.210 1.00 0.00 O ATOM 383 CB VAL A 28 -1.010 -4.013 0.634 1.00 0.00 C ATOM 384 CG1 VAL A 28 -2.519 -3.760 0.620 1.00 0.00 C ATOM 385 CG2 VAL A 28 -0.656 -5.159 1.584 1.00 0.00 C ATOM 0 H VAL A 28 -0.385 -2.251 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 28 0.222 -5.113 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.522 -3.110 1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.865 -3.567 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.737 -2.897 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.031 -4.636 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.039 -4.937 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.103 -6.084 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.427 -5.273 1.629 1.00 0.00 H new ATOM 395 N LYS A 29 -1.599 -6.028 -2.021 1.00 0.00 N ATOM 396 CA LYS A 29 -2.587 -6.589 -2.926 1.00 0.00 C ATOM 397 C LYS A 29 -3.336 -7.720 -2.219 1.00 0.00 C ATOM 398 O LYS A 29 -2.992 -8.891 -2.375 1.00 0.00 O ATOM 399 CB LYS A 29 -1.929 -7.015 -4.240 1.00 0.00 C ATOM 400 CG LYS A 29 -2.937 -6.990 -5.392 1.00 0.00 C ATOM 401 CD LYS A 29 -3.816 -8.242 -5.379 1.00 0.00 C ATOM 402 CE LYS A 29 -4.230 -8.635 -6.798 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.636 -10.058 -6.845 1.00 0.00 N ATOM 0 H LYS A 29 -0.942 -6.705 -1.633 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.327 -5.836 -3.196 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.096 -6.349 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.516 -8.018 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.563 -6.101 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.407 -6.923 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.275 -9.066 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.704 -8.061 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.055 -8.004 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.401 -8.464 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.423 -10.173 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.830 -10.639 -7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.941 -10.364 -5.899 1.00 0.00 H new ATOM 417 N SER A 30 -4.347 -7.331 -1.455 1.00 0.00 N ATOM 418 CA SER A 30 -5.147 -8.298 -0.723 1.00 0.00 C ATOM 419 C SER A 30 -5.529 -9.462 -1.639 1.00 0.00 C ATOM 420 O SER A 30 -5.243 -9.435 -2.835 1.00 0.00 O ATOM 421 CB SER A 30 -6.404 -7.645 -0.143 1.00 0.00 C ATOM 422 OG SER A 30 -6.400 -7.654 1.282 1.00 0.00 O ATOM 0 H SER A 30 -4.630 -6.359 -1.327 1.00 0.00 H new ATOM 0 HA SER A 30 -4.551 -8.678 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.476 -6.617 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.287 -8.171 -0.507 1.00 0.00 H new ATOM 0 HG SER A 30 -6.232 -6.748 1.614 1.00 0.00 H new ATOM 428 N PRO A 31 -6.186 -10.484 -1.027 1.00 0.00 N ATOM 429 CA PRO A 31 -6.610 -11.655 -1.775 1.00 0.00 C ATOM 430 C PRO A 31 -7.832 -11.342 -2.640 1.00 0.00 C ATOM 431 O PRO A 31 -8.474 -10.308 -2.462 1.00 0.00 O ATOM 432 CB PRO A 31 -6.884 -12.716 -0.721 1.00 0.00 C ATOM 433 CG PRO A 31 -7.053 -11.966 0.591 1.00 0.00 C ATOM 434 CD PRO A 31 -6.542 -10.550 0.387 1.00 0.00 C ATOM 0 HA PRO A 31 -5.854 -11.999 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.781 -13.285 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.061 -13.428 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.101 -11.954 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.498 -12.461 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.306 -9.814 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.680 -10.345 1.022 1.00 0.00 H new ATOM 442 N GLY A 32 -8.117 -12.253 -3.558 1.00 0.00 N ATOM 443 CA GLY A 32 -9.250 -12.087 -4.451 1.00 0.00 C ATOM 444 C GLY A 32 -9.941 -13.426 -4.716 1.00 0.00 C ATOM 445 O GLY A 32 -9.754 -14.384 -3.968 1.00 0.00 O ATOM 0 H GLY A 32 -7.582 -13.109 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.962 -11.387 -4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.914 -11.654 -5.393 1.00 0.00 H new ATOM 449 N PRO A 33 -10.747 -13.451 -5.811 1.00 0.00 N ATOM 450 CA PRO A 33 -11.467 -14.657 -6.184 1.00 0.00 C ATOM 451 C PRO A 33 -10.525 -15.686 -6.811 1.00 0.00 C ATOM 452 O PRO A 33 -10.956 -16.767 -7.209 1.00 0.00 O ATOM 453 CB PRO A 33 -12.553 -14.187 -7.138 1.00 0.00 C ATOM 454 CG PRO A 33 -12.116 -12.816 -7.626 1.00 0.00 C ATOM 455 CD PRO A 33 -10.993 -12.335 -6.721 1.00 0.00 C ATOM 0 HA PRO A 33 -11.903 -15.169 -5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.667 -14.880 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.518 -14.133 -6.634 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.776 -12.869 -8.660 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.952 -12.117 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.100 -12.088 -7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.281 -11.436 -6.176 1.00 0.00 H new ATOM 463 N HIS A 34 -9.255 -15.314 -6.880 1.00 0.00 N ATOM 464 CA HIS A 34 -8.248 -16.191 -7.452 1.00 0.00 C ATOM 465 C HIS A 34 -7.266 -16.626 -6.362 1.00 0.00 C ATOM 466 O HIS A 34 -7.030 -17.818 -6.173 1.00 0.00 O ATOM 467 CB HIS A 34 -7.555 -15.522 -8.641 1.00 0.00 C ATOM 468 CG HIS A 34 -7.448 -14.020 -8.522 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.554 -13.187 -8.519 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.357 -13.211 -8.403 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.135 -11.936 -8.403 1.00 0.00 C ATOM 472 NE2 HIS A 34 -6.773 -11.953 -8.332 1.00 0.00 N ATOM 0 H HIS A 34 -8.901 -14.417 -6.549 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.725 -17.090 -7.843 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.554 -15.940 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.102 -15.766 -9.552 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -9.526 -13.486 -8.593 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.328 -13.539 -8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.762 -11.057 -8.370 1.00 0.00 H new ATOM 480 N CYS A 35 -6.721 -15.634 -5.672 1.00 0.00 N ATOM 481 CA CYS A 35 -5.770 -15.899 -4.606 1.00 0.00 C ATOM 482 C CYS A 35 -6.416 -15.500 -3.277 1.00 0.00 C ATOM 483 O CYS A 35 -6.856 -14.363 -3.113 1.00 0.00 O ATOM 484 CB CYS A 35 -4.444 -15.171 -4.837 1.00 0.00 C ATOM 485 SG CYS A 35 -3.031 -16.262 -5.241 1.00 0.00 S ATOM 0 H CYS A 35 -6.920 -14.646 -5.831 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.527 -16.961 -4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.575 -14.454 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.199 -14.599 -3.942 1.00 0.00 H new ATOM 490 N ALA A 36 -6.452 -16.458 -2.362 1.00 0.00 N ATOM 491 CA ALA A 36 -7.036 -16.221 -1.053 1.00 0.00 C ATOM 492 C ALA A 36 -5.929 -15.850 -0.065 1.00 0.00 C ATOM 493 O ALA A 36 -6.085 -16.027 1.142 1.00 0.00 O ATOM 494 CB ALA A 36 -7.821 -17.458 -0.613 1.00 0.00 C ATOM 0 H ALA A 36 -6.086 -17.400 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.737 -15.387 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.259 -17.280 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.614 -17.661 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.150 -18.315 -0.561 1.00 0.00 H new ATOM 500 N GLN A 37 -4.835 -15.343 -0.614 1.00 0.00 N ATOM 501 CA GLN A 37 -3.702 -14.945 0.204 1.00 0.00 C ATOM 502 C GLN A 37 -3.326 -13.490 -0.080 1.00 0.00 C ATOM 503 O GLN A 37 -3.702 -12.939 -1.114 1.00 0.00 O ATOM 504 CB GLN A 37 -2.508 -15.875 -0.024 1.00 0.00 C ATOM 505 CG GLN A 37 -2.936 -17.342 0.041 1.00 0.00 C ATOM 506 CD GLN A 37 -2.455 -18.108 -1.194 1.00 0.00 C ATOM 507 OE1 GLN A 37 -1.857 -17.558 -2.103 1.00 0.00 O ATOM 508 NE2 GLN A 37 -2.750 -19.405 -1.175 1.00 0.00 N ATOM 0 H GLN A 37 -4.709 -15.199 -1.616 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.990 -15.027 1.252 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.060 -15.666 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.743 -15.682 0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.530 -17.804 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.022 -17.405 0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.254 -19.802 -0.382 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.473 -20.003 -1.954 1.00 0.00 H new ATOM 517 N THR A 38 -2.588 -12.909 0.854 1.00 0.00 N ATOM 518 CA THR A 38 -2.157 -11.528 0.717 1.00 0.00 C ATOM 519 C THR A 38 -0.904 -11.445 -0.157 1.00 0.00 C ATOM 520 O THR A 38 -0.212 -12.443 -0.353 1.00 0.00 O ATOM 521 CB THR A 38 -1.957 -10.953 2.120 1.00 0.00 C ATOM 522 OG1 THR A 38 -3.153 -11.302 2.812 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.954 -9.423 2.131 1.00 0.00 C ATOM 0 H THR A 38 -2.277 -13.370 1.709 1.00 0.00 H new ATOM 0 HA THR A 38 -2.911 -10.927 0.208 1.00 0.00 H new ATOM 0 HB THR A 38 -1.017 -11.321 2.532 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.107 -10.969 3.732 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.809 -9.067 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.145 -9.056 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.907 -9.055 1.750 1.00 0.00 H new ATOM 531 N GLU A 39 -0.650 -10.246 -0.660 1.00 0.00 N ATOM 532 CA GLU A 39 0.507 -10.020 -1.509 1.00 0.00 C ATOM 533 C GLU A 39 1.020 -8.589 -1.337 1.00 0.00 C ATOM 534 O GLU A 39 0.403 -7.642 -1.823 1.00 0.00 O ATOM 535 CB GLU A 39 0.178 -10.312 -2.974 1.00 0.00 C ATOM 536 CG GLU A 39 1.448 -10.618 -3.771 1.00 0.00 C ATOM 537 CD GLU A 39 1.400 -9.962 -5.153 1.00 0.00 C ATOM 538 OE1 GLU A 39 0.285 -9.906 -5.715 1.00 0.00 O ATOM 539 OE2 GLU A 39 2.479 -9.532 -5.615 1.00 0.00 O ATOM 0 H GLU A 39 -1.226 -9.420 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 39 1.296 -10.707 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.507 -11.158 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.334 -9.456 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.320 -10.259 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.562 -11.697 -3.880 1.00 0.00 H new ATOM 546 N VAL A 40 2.143 -8.476 -0.644 1.00 0.00 N ATOM 547 CA VAL A 40 2.746 -7.176 -0.402 1.00 0.00 C ATOM 548 C VAL A 40 3.930 -6.983 -1.351 1.00 0.00 C ATOM 549 O VAL A 40 4.917 -7.713 -1.275 1.00 0.00 O ATOM 550 CB VAL A 40 3.134 -7.046 1.072 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.921 -5.757 1.320 1.00 0.00 C ATOM 552 CG2 VAL A 40 1.899 -7.115 1.973 1.00 0.00 C ATOM 0 H VAL A 40 2.652 -9.263 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 40 2.031 -6.379 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 40 3.780 -7.887 1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.185 -5.689 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.830 -5.764 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.310 -4.898 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.203 -7.020 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.217 -6.303 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.396 -8.071 1.828 1.00 0.00 H new ATOM 562 N ILE A 41 3.792 -5.996 -2.224 1.00 0.00 N ATOM 563 CA ILE A 41 4.839 -5.698 -3.188 1.00 0.00 C ATOM 564 C ILE A 41 5.336 -4.268 -2.967 1.00 0.00 C ATOM 565 O ILE A 41 4.571 -3.313 -3.098 1.00 0.00 O ATOM 566 CB ILE A 41 4.348 -5.965 -4.612 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.646 -7.322 -4.704 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.493 -5.843 -5.619 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.151 -7.187 -4.408 1.00 0.00 C ATOM 0 H ILE A 41 2.972 -5.393 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 41 5.693 -6.360 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 41 3.612 -5.203 -4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.787 -7.741 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.099 -8.018 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.117 -6.038 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.909 -4.837 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.270 -6.568 -5.376 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.676 -8.165 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.014 -6.790 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.697 -6.509 -5.131 1.00 0.00 H new ATOM 581 N ALA A 42 6.615 -4.165 -2.637 1.00 0.00 N ATOM 582 CA ALA A 42 7.224 -2.867 -2.397 1.00 0.00 C ATOM 583 C ALA A 42 8.158 -2.524 -3.559 1.00 0.00 C ATOM 584 O ALA A 42 8.822 -3.403 -4.107 1.00 0.00 O ATOM 585 CB ALA A 42 7.950 -2.885 -1.050 1.00 0.00 C ATOM 0 H ALA A 42 7.247 -4.959 -2.530 1.00 0.00 H new ATOM 0 HA ALA A 42 6.462 -2.089 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.407 -1.912 -0.870 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.237 -3.104 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.724 -3.652 -1.064 1.00 0.00 H new ATOM 591 N THR A 43 8.180 -1.244 -3.901 1.00 0.00 N ATOM 592 CA THR A 43 9.022 -0.775 -4.988 1.00 0.00 C ATOM 593 C THR A 43 10.377 -0.310 -4.450 1.00 0.00 C ATOM 594 O THR A 43 10.457 0.253 -3.360 1.00 0.00 O ATOM 595 CB THR A 43 8.259 0.319 -5.738 1.00 0.00 C ATOM 596 OG1 THR A 43 7.259 -0.392 -6.464 1.00 0.00 O ATOM 597 CG2 THR A 43 9.106 0.984 -6.825 1.00 0.00 C ATOM 0 H THR A 43 7.628 -0.518 -3.445 1.00 0.00 H new ATOM 0 HA THR A 43 9.244 -1.578 -5.691 1.00 0.00 H new ATOM 0 HB THR A 43 7.919 1.075 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.716 0.241 -6.978 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.517 1.752 -7.326 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.987 1.440 -6.372 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.419 0.235 -7.552 1.00 0.00 H new ATOM 605 N LEU A 44 11.410 -0.563 -5.241 1.00 0.00 N ATOM 606 CA LEU A 44 12.758 -0.178 -4.858 1.00 0.00 C ATOM 607 C LEU A 44 13.048 1.231 -5.378 1.00 0.00 C ATOM 608 O LEU A 44 12.500 1.645 -6.399 1.00 0.00 O ATOM 609 CB LEU A 44 13.768 -1.227 -5.328 1.00 0.00 C ATOM 610 CG LEU A 44 14.787 -1.691 -4.284 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.408 -3.031 -4.683 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.849 -0.617 -4.040 1.00 0.00 C ATOM 0 H LEU A 44 11.340 -1.030 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 44 12.851 -0.143 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.218 -2.099 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.311 -0.823 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 44 14.264 -1.847 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.128 -3.338 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.625 -3.785 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.914 -2.926 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.561 -0.972 -3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.374 -0.406 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.370 0.293 -3.680 1.00 0.00 H new ATOM 624 N LYS A 45 13.908 1.930 -4.652 1.00 0.00 N ATOM 625 CA LYS A 45 14.278 3.284 -5.028 1.00 0.00 C ATOM 626 C LYS A 45 15.231 3.235 -6.223 1.00 0.00 C ATOM 627 O LYS A 45 15.626 4.274 -6.750 1.00 0.00 O ATOM 628 CB LYS A 45 14.841 4.039 -3.822 1.00 0.00 C ATOM 629 CG LYS A 45 15.024 5.524 -4.142 1.00 0.00 C ATOM 630 CD LYS A 45 16.454 5.813 -4.603 1.00 0.00 C ATOM 631 CE LYS A 45 17.265 6.480 -3.490 1.00 0.00 C ATOM 632 NZ LYS A 45 18.715 6.339 -3.751 1.00 0.00 N ATOM 0 H LYS A 45 14.359 1.584 -3.805 1.00 0.00 H new ATOM 0 HA LYS A 45 13.399 3.845 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.168 3.927 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.798 3.605 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.320 5.822 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.795 6.121 -3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.938 4.884 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.433 6.460 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.002 7.536 -3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.016 6.028 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.251 6.797 -2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.964 5.330 -3.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.950 6.791 -4.658 1.00 0.00 H new ATOM 646 N ASN A 46 15.574 2.017 -6.617 1.00 0.00 N ATOM 647 CA ASN A 46 16.474 1.820 -7.741 1.00 0.00 C ATOM 648 C ASN A 46 15.658 1.464 -8.985 1.00 0.00 C ATOM 649 O ASN A 46 16.197 1.407 -10.090 1.00 0.00 O ATOM 650 CB ASN A 46 17.448 0.671 -7.471 1.00 0.00 C ATOM 651 CG ASN A 46 17.664 -0.172 -8.729 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.204 0.280 -9.725 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.214 -1.419 -8.628 1.00 0.00 N ATOM 0 H ASN A 46 15.245 1.157 -6.178 1.00 0.00 H new ATOM 0 HA ASN A 46 17.035 2.742 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.402 1.071 -7.129 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.061 0.042 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.311 -2.062 -9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.771 -1.733 -7.764 1.00 0.00 H new ATOM 660 N GLY A 47 14.371 1.236 -8.765 1.00 0.00 N ATOM 661 CA GLY A 47 13.476 0.888 -9.855 1.00 0.00 C ATOM 662 C GLY A 47 13.040 -0.576 -9.761 1.00 0.00 C ATOM 663 O GLY A 47 12.156 -1.013 -10.496 1.00 0.00 O ATOM 0 H GLY A 47 13.927 1.286 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.599 1.535 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.974 1.062 -10.809 1.00 0.00 H new ATOM 667 N GLN A 48 13.680 -1.293 -8.849 1.00 0.00 N ATOM 668 CA GLN A 48 13.369 -2.698 -8.649 1.00 0.00 C ATOM 669 C GLN A 48 12.169 -2.848 -7.712 1.00 0.00 C ATOM 670 O GLN A 48 11.530 -1.860 -7.353 1.00 0.00 O ATOM 671 CB GLN A 48 14.584 -3.457 -8.110 1.00 0.00 C ATOM 672 CG GLN A 48 15.422 -4.033 -9.253 1.00 0.00 C ATOM 673 CD GLN A 48 16.568 -4.891 -8.714 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.390 -5.749 -7.866 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.752 -4.611 -9.252 1.00 0.00 N ATOM 0 H GLN A 48 14.412 -0.927 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 48 13.108 -3.133 -9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.197 -2.788 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.253 -4.263 -7.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.789 -4.634 -9.906 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.825 -3.221 -9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.831 -3.879 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.581 -5.128 -8.958 1.00 0.00 H new ATOM 684 N LYS A 49 11.899 -4.092 -7.342 1.00 0.00 N ATOM 685 CA LYS A 49 10.787 -4.384 -6.454 1.00 0.00 C ATOM 686 C LYS A 49 11.158 -5.560 -5.549 1.00 0.00 C ATOM 687 O LYS A 49 11.858 -6.477 -5.973 1.00 0.00 O ATOM 688 CB LYS A 49 9.504 -4.607 -7.257 1.00 0.00 C ATOM 689 CG LYS A 49 9.216 -3.416 -8.174 1.00 0.00 C ATOM 690 CD LYS A 49 7.853 -3.563 -8.853 1.00 0.00 C ATOM 691 CE LYS A 49 7.787 -2.732 -10.136 1.00 0.00 C ATOM 692 NZ LYS A 49 7.211 -3.530 -11.241 1.00 0.00 N ATOM 0 H LYS A 49 12.432 -4.909 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 49 10.585 -3.532 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.597 -5.515 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.666 -4.757 -6.576 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.240 -2.493 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.997 -3.338 -8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.670 -4.612 -9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.066 -3.246 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.181 -1.841 -9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.786 -2.392 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.173 -2.951 -12.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.805 -4.367 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.250 -3.834 -10.986 1.00 0.00 H new ATOM 706 N ALA A 50 10.672 -5.494 -4.318 1.00 0.00 N ATOM 707 CA ALA A 50 10.944 -6.542 -3.349 1.00 0.00 C ATOM 708 C ALA A 50 9.638 -6.945 -2.660 1.00 0.00 C ATOM 709 O ALA A 50 9.063 -6.162 -1.906 1.00 0.00 O ATOM 710 CB ALA A 50 12.002 -6.057 -2.356 1.00 0.00 C ATOM 0 H ALA A 50 10.092 -4.731 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 50 11.343 -7.428 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.206 -6.843 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.919 -5.812 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.636 -5.170 -1.838 1.00 0.00 H new ATOM 716 N CYS A 51 9.209 -8.166 -2.943 1.00 0.00 N ATOM 717 CA CYS A 51 7.983 -8.682 -2.360 1.00 0.00 C ATOM 718 C CYS A 51 8.227 -8.934 -0.871 1.00 0.00 C ATOM 719 O CYS A 51 9.289 -9.421 -0.486 1.00 0.00 O ATOM 720 CB CYS A 51 7.501 -9.943 -3.080 1.00 0.00 C ATOM 721 SG CYS A 51 6.069 -9.693 -4.191 1.00 0.00 S ATOM 0 H CYS A 51 9.689 -8.813 -3.569 1.00 0.00 H new ATOM 0 HA CYS A 51 7.186 -7.948 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.328 -10.350 -3.662 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.237 -10.692 -2.333 1.00 0.00 H new ATOM 726 N LEU A 52 7.227 -8.590 -0.073 1.00 0.00 N ATOM 727 CA LEU A 52 7.320 -8.772 1.365 1.00 0.00 C ATOM 728 C LEU A 52 6.353 -9.876 1.798 1.00 0.00 C ATOM 729 O LEU A 52 5.468 -10.264 1.038 1.00 0.00 O ATOM 730 CB LEU A 52 7.099 -7.442 2.089 1.00 0.00 C ATOM 731 CG LEU A 52 8.064 -6.312 1.726 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.500 -4.953 2.145 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.452 -6.565 2.319 1.00 0.00 C ATOM 0 H LEU A 52 6.348 -8.186 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 52 8.322 -9.097 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.083 -7.105 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.166 -7.620 3.162 1.00 0.00 H new ATOM 0 HG LEU A 52 8.176 -6.293 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.206 -4.167 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.552 -4.780 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.340 -4.942 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.119 -5.747 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.378 -6.626 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.849 -7.502 1.929 1.00 0.00 H new ATOM 745 N ASN A 53 6.556 -10.350 3.019 1.00 0.00 N ATOM 746 CA ASN A 53 5.714 -11.402 3.562 1.00 0.00 C ATOM 747 C ASN A 53 4.605 -10.775 4.409 1.00 0.00 C ATOM 748 O ASN A 53 4.870 -10.222 5.475 1.00 0.00 O ATOM 749 CB ASN A 53 6.519 -12.344 4.460 1.00 0.00 C ATOM 750 CG ASN A 53 5.793 -13.677 4.647 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.388 -14.331 3.700 1.00 0.00 O ATOM 752 ND2 ASN A 53 5.651 -14.043 5.918 1.00 0.00 N ATOM 0 H ASN A 53 7.291 -10.025 3.647 1.00 0.00 H new ATOM 0 HA ASN A 53 5.299 -11.967 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.501 -12.519 4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.682 -11.876 5.431 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.180 -14.918 6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.014 -13.449 6.663 1.00 0.00 H new ATOM 759 N PRO A 54 3.353 -10.885 3.889 1.00 0.00 N ATOM 760 CA PRO A 54 2.202 -10.335 4.585 1.00 0.00 C ATOM 761 C PRO A 54 1.819 -11.206 5.783 1.00 0.00 C ATOM 762 O PRO A 54 0.648 -11.538 5.964 1.00 0.00 O ATOM 763 CB PRO A 54 1.107 -10.255 3.534 1.00 0.00 C ATOM 764 CG PRO A 54 1.536 -11.189 2.414 1.00 0.00 C ATOM 765 CD PRO A 54 3.001 -11.533 2.629 1.00 0.00 C ATOM 0 HA PRO A 54 2.398 -9.351 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.145 -10.558 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.990 -9.235 3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.927 -12.093 2.417 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.394 -10.712 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.151 -12.611 2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.618 -11.166 1.809 1.00 0.00 H new ATOM 773 N ALA A 55 2.827 -11.551 6.571 1.00 0.00 N ATOM 774 CA ALA A 55 2.610 -12.376 7.746 1.00 0.00 C ATOM 775 C ALA A 55 3.860 -12.340 8.628 1.00 0.00 C ATOM 776 O ALA A 55 4.165 -13.311 9.319 1.00 0.00 O ATOM 777 CB ALA A 55 2.244 -13.797 7.312 1.00 0.00 C ATOM 0 H ALA A 55 3.797 -11.274 6.418 1.00 0.00 H new ATOM 0 HA ALA A 55 1.779 -11.991 8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.081 -14.416 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.333 -13.771 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.056 -14.217 6.719 1.00 0.00 H new ATOM 783 N SER A 56 4.550 -11.211 8.574 1.00 0.00 N ATOM 784 CA SER A 56 5.761 -11.035 9.359 1.00 0.00 C ATOM 785 C SER A 56 5.627 -9.806 10.260 1.00 0.00 C ATOM 786 O SER A 56 4.945 -8.845 9.907 1.00 0.00 O ATOM 787 CB SER A 56 6.988 -10.900 8.455 1.00 0.00 C ATOM 788 OG SER A 56 8.066 -10.241 9.114 1.00 0.00 O ATOM 0 H SER A 56 4.294 -10.408 7.999 1.00 0.00 H new ATOM 0 HA SER A 56 5.897 -11.920 9.981 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.311 -11.890 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.718 -10.344 7.557 1.00 0.00 H new ATOM 0 HG SER A 56 8.801 -10.103 8.481 1.00 0.00 H new ATOM 794 N PRO A 57 6.306 -9.879 11.436 1.00 0.00 N ATOM 795 CA PRO A 57 6.269 -8.783 12.390 1.00 0.00 C ATOM 796 C PRO A 57 7.140 -7.617 11.919 1.00 0.00 C ATOM 797 O PRO A 57 7.143 -6.552 12.535 1.00 0.00 O ATOM 798 CB PRO A 57 6.744 -9.388 13.701 1.00 0.00 C ATOM 799 CG PRO A 57 7.467 -10.672 13.330 1.00 0.00 C ATOM 800 CD PRO A 57 7.123 -11.001 11.887 1.00 0.00 C ATOM 0 HA PRO A 57 5.273 -8.355 12.502 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.409 -8.704 14.229 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.903 -9.591 14.365 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.544 -10.551 13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.164 -11.485 13.990 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.022 -11.106 11.280 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.578 -11.942 11.814 1.00 0.00 H new ATOM 808 N MET A 58 7.858 -7.857 10.832 1.00 0.00 N ATOM 809 CA MET A 58 8.731 -6.840 10.272 1.00 0.00 C ATOM 810 C MET A 58 8.036 -6.084 9.138 1.00 0.00 C ATOM 811 O MET A 58 8.269 -4.892 8.948 1.00 0.00 O ATOM 812 CB MET A 58 10.007 -7.498 9.741 1.00 0.00 C ATOM 813 CG MET A 58 11.113 -6.461 9.536 1.00 0.00 C ATOM 814 SD MET A 58 11.496 -5.662 11.085 1.00 0.00 S ATOM 815 CE MET A 58 11.546 -7.084 12.163 1.00 0.00 C ATOM 0 H MET A 58 7.853 -8.741 10.324 1.00 0.00 H new ATOM 0 HA MET A 58 8.979 -6.128 11.059 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.345 -8.262 10.441 1.00 0.00 H new ATOM 0 HB3 MET A 58 9.796 -8.001 8.797 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.005 -6.943 9.136 1.00 0.00 H new ATOM 0 HG3 MET A 58 10.796 -5.719 8.803 1.00 0.00 H new ATOM 0 HE1 MET A 58 12.074 -6.826 13.081 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.529 -7.394 12.404 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.065 -7.902 11.663 1.00 0.00 H new ATOM 825 N VAL A 59 7.196 -6.810 8.414 1.00 0.00 N ATOM 826 CA VAL A 59 6.465 -6.223 7.304 1.00 0.00 C ATOM 827 C VAL A 59 5.492 -5.171 7.839 1.00 0.00 C ATOM 828 O VAL A 59 5.016 -4.321 7.088 1.00 0.00 O ATOM 829 CB VAL A 59 5.772 -7.321 6.495 1.00 0.00 C ATOM 830 CG1 VAL A 59 4.572 -6.763 5.728 1.00 0.00 C ATOM 831 CG2 VAL A 59 6.758 -8.007 5.546 1.00 0.00 C ATOM 0 H VAL A 59 7.006 -7.799 8.575 1.00 0.00 H new ATOM 0 HA VAL A 59 7.148 -5.717 6.622 1.00 0.00 H new ATOM 0 HB VAL A 59 5.403 -8.070 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.098 -7.564 5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.854 -6.342 6.432 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.908 -5.984 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.240 -8.783 4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.170 -7.271 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.566 -8.456 6.123 1.00 0.00 H new ATOM 841 N LYS A 60 5.224 -5.263 9.134 1.00 0.00 N ATOM 842 CA LYS A 60 4.316 -4.329 9.778 1.00 0.00 C ATOM 843 C LYS A 60 5.123 -3.190 10.406 1.00 0.00 C ATOM 844 O LYS A 60 4.560 -2.312 11.057 1.00 0.00 O ATOM 845 CB LYS A 60 3.411 -5.061 10.771 1.00 0.00 C ATOM 846 CG LYS A 60 2.938 -6.399 10.198 1.00 0.00 C ATOM 847 CD LYS A 60 1.862 -6.189 9.131 1.00 0.00 C ATOM 848 CE LYS A 60 0.507 -5.878 9.772 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.162 -7.127 10.199 1.00 0.00 N ATOM 0 H LYS A 60 5.620 -5.970 9.754 1.00 0.00 H new ATOM 0 HA LYS A 60 3.648 -3.879 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.950 -5.231 11.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.549 -4.438 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.784 -6.933 9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.543 -7.023 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.153 -5.371 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.779 -7.083 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.646 -5.221 10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.124 -5.345 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.080 -6.899 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.312 -7.741 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.435 -7.621 10.893 1.00 0.00 H new ATOM 863 N LYS A 61 6.428 -3.242 10.187 1.00 0.00 N ATOM 864 CA LYS A 61 7.318 -2.226 10.723 1.00 0.00 C ATOM 865 C LYS A 61 8.024 -1.513 9.568 1.00 0.00 C ATOM 866 O LYS A 61 8.652 -0.474 9.767 1.00 0.00 O ATOM 867 CB LYS A 61 8.277 -2.839 11.745 1.00 0.00 C ATOM 868 CG LYS A 61 7.518 -3.347 12.973 1.00 0.00 C ATOM 869 CD LYS A 61 8.167 -2.848 14.265 1.00 0.00 C ATOM 870 CE LYS A 61 7.439 -3.398 15.493 1.00 0.00 C ATOM 871 NZ LYS A 61 6.412 -2.439 15.959 1.00 0.00 N ATOM 0 H LYS A 61 6.891 -3.972 9.646 1.00 0.00 H new ATOM 0 HA LYS A 61 6.751 -1.470 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.826 -3.661 11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.013 -2.095 12.050 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.482 -3.011 12.929 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.500 -4.437 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.213 -3.152 14.292 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.151 -1.758 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.971 -4.351 15.249 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.155 -3.590 16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.927 -2.828 16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.867 -1.538 16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.719 -2.276 15.201 1.00 0.00 H new ATOM 885 N ILE A 62 7.898 -2.098 8.387 1.00 0.00 N ATOM 886 CA ILE A 62 8.516 -1.531 7.200 1.00 0.00 C ATOM 887 C ILE A 62 7.499 -0.650 6.472 1.00 0.00 C ATOM 888 O ILE A 62 7.870 0.161 5.625 1.00 0.00 O ATOM 889 CB ILE A 62 9.109 -2.637 6.325 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.107 -3.486 7.115 1.00 0.00 C ATOM 891 CG2 ILE A 62 9.731 -2.056 5.053 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.126 -4.928 6.604 1.00 0.00 C ATOM 0 H ILE A 62 7.377 -2.960 8.226 1.00 0.00 H new ATOM 0 HA ILE A 62 9.354 -0.890 7.476 1.00 0.00 H new ATOM 0 HB ILE A 62 8.299 -3.298 6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.104 -3.054 7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.843 -3.475 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.145 -2.863 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.966 -1.531 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.525 -1.360 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.844 -5.510 7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.133 -5.365 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.415 -4.938 5.553 1.00 0.00 H new ATOM 904 N ILE A 63 6.237 -0.838 6.830 1.00 0.00 N ATOM 905 CA ILE A 63 5.165 -0.070 6.221 1.00 0.00 C ATOM 906 C ILE A 63 4.832 1.129 7.112 1.00 0.00 C ATOM 907 O ILE A 63 4.885 2.273 6.664 1.00 0.00 O ATOM 908 CB ILE A 63 3.962 -0.969 5.926 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.226 -1.856 4.707 1.00 0.00 C ATOM 910 CG2 ILE A 63 2.685 -0.142 5.768 1.00 0.00 C ATOM 911 CD1 ILE A 63 3.452 -3.171 4.808 1.00 0.00 C ATOM 0 H ILE A 63 5.933 -1.511 7.534 1.00 0.00 H new ATOM 0 HA ILE A 63 5.482 0.327 5.256 1.00 0.00 H new ATOM 0 HB ILE A 63 3.813 -1.631 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.936 -1.328 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.293 -2.063 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.846 -0.805 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.492 0.409 6.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.806 0.561 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.657 -3.782 3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.762 -3.708 5.704 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.384 -2.961 4.862 1.00 0.00 H new ATOM 923 N GLU A 64 4.498 0.825 8.358 1.00 0.00 N ATOM 924 CA GLU A 64 4.157 1.863 9.315 1.00 0.00 C ATOM 925 C GLU A 64 5.248 2.935 9.347 1.00 0.00 C ATOM 926 O GLU A 64 4.973 4.098 9.637 1.00 0.00 O ATOM 927 CB GLU A 64 3.929 1.271 10.708 1.00 0.00 C ATOM 928 CG GLU A 64 2.702 0.357 10.721 1.00 0.00 C ATOM 929 CD GLU A 64 2.767 -0.633 11.886 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.747 -0.538 12.656 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.836 -1.461 11.980 1.00 0.00 O ATOM 0 H GLU A 64 4.456 -0.125 8.726 1.00 0.00 H new ATOM 0 HA GLU A 64 3.225 2.330 8.998 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.810 0.708 11.016 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.796 2.075 11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.797 0.959 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.640 -0.188 9.779 1.00 0.00 H new ATOM 938 N LYS A 65 6.465 2.504 9.046 1.00 0.00 N ATOM 939 CA LYS A 65 7.599 3.413 9.036 1.00 0.00 C ATOM 940 C LYS A 65 7.662 4.129 7.685 1.00 0.00 C ATOM 941 O LYS A 65 8.089 5.280 7.608 1.00 0.00 O ATOM 942 CB LYS A 65 8.885 2.667 9.398 1.00 0.00 C ATOM 943 CG LYS A 65 10.072 3.198 8.590 1.00 0.00 C ATOM 944 CD LYS A 65 11.388 2.967 9.334 1.00 0.00 C ATOM 945 CE LYS A 65 11.736 4.165 10.219 1.00 0.00 C ATOM 946 NZ LYS A 65 13.139 4.079 10.681 1.00 0.00 N ATOM 0 H LYS A 65 6.690 1.538 8.807 1.00 0.00 H new ATOM 0 HA LYS A 65 7.478 4.182 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.087 2.778 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.758 1.601 9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.107 2.703 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.940 4.263 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.311 2.069 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.190 2.796 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.586 5.091 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.066 4.197 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.358 4.900 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.271 3.205 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.775 4.071 9.859 1.00 0.00 H new ATOM 960 N MET A 66 7.231 3.417 6.654 1.00 0.00 N ATOM 961 CA MET A 66 7.233 3.970 5.310 1.00 0.00 C ATOM 962 C MET A 66 6.294 5.174 5.211 1.00 0.00 C ATOM 963 O MET A 66 6.601 6.151 4.530 1.00 0.00 O ATOM 964 CB MET A 66 6.793 2.895 4.315 1.00 0.00 C ATOM 965 CG MET A 66 7.925 2.547 3.347 1.00 0.00 C ATOM 966 SD MET A 66 8.431 4.003 2.448 1.00 0.00 S ATOM 967 CE MET A 66 6.980 4.264 1.441 1.00 0.00 C ATOM 0 H MET A 66 6.878 2.462 6.722 1.00 0.00 H new ATOM 0 HA MET A 66 8.244 4.302 5.075 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.483 2.000 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.926 3.246 3.755 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.772 2.137 3.898 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.595 1.776 2.651 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.277 4.669 0.473 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.463 3.315 1.295 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.313 4.967 1.939 1.00 0.00 H new ATOM 977 N LEU A 67 5.169 5.064 5.902 1.00 0.00 N ATOM 978 CA LEU A 67 4.183 6.132 5.900 1.00 0.00 C ATOM 979 C LEU A 67 4.722 7.320 6.698 1.00 0.00 C ATOM 980 O LEU A 67 4.192 8.426 6.607 1.00 0.00 O ATOM 981 CB LEU A 67 2.833 5.615 6.403 1.00 0.00 C ATOM 982 CG LEU A 67 2.022 4.781 5.409 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.817 3.562 4.939 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.667 4.387 6.001 1.00 0.00 C ATOM 0 H LEU A 67 4.918 4.252 6.467 1.00 0.00 H new ATOM 0 HA LEU A 67 4.006 6.485 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.006 5.013 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.229 6.470 6.707 1.00 0.00 H new ATOM 0 HG LEU A 67 1.824 5.395 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.218 2.987 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.734 3.892 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.067 2.938 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.111 3.795 5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.822 3.799 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.101 5.286 6.246 1.00 0.00 H new ATOM 996 N LYS A 68 5.771 7.051 7.463 1.00 0.00 N ATOM 997 CA LYS A 68 6.388 8.084 8.277 1.00 0.00 C ATOM 998 C LYS A 68 7.700 8.525 7.625 1.00 0.00 C ATOM 999 O LYS A 68 8.171 9.637 7.859 1.00 0.00 O ATOM 1000 CB LYS A 68 6.550 7.604 9.720 1.00 0.00 C ATOM 1001 CG LYS A 68 5.412 8.125 10.602 1.00 0.00 C ATOM 1002 CD LYS A 68 5.950 9.022 11.718 1.00 0.00 C ATOM 1003 CE LYS A 68 6.269 8.206 12.972 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.218 8.399 13.996 1.00 0.00 N ATOM 0 H LYS A 68 6.209 6.133 7.536 1.00 0.00 H new ATOM 0 HA LYS A 68 5.745 8.963 8.328 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.565 6.514 9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.507 7.945 10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.701 8.683 9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.869 7.285 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.849 9.535 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.215 9.791 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.346 7.149 12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.236 8.508 13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.449 7.838 14.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.164 9.405 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.301 8.089 13.615 1.00 0.00 H new ATOM 1018 N ASN A 69 8.254 7.630 6.819 1.00 0.00 N ATOM 1019 CA ASN A 69 9.502 7.913 6.132 1.00 0.00 C ATOM 1020 C ASN A 69 10.606 8.149 7.165 1.00 0.00 C ATOM 1021 O ASN A 69 11.430 7.270 7.411 1.00 0.00 O ATOM 1022 CB ASN A 69 9.384 9.171 5.270 1.00 0.00 C ATOM 1023 CG ASN A 69 10.749 9.589 4.720 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.742 8.895 4.859 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.742 10.760 4.089 1.00 0.00 N ATOM 0 H ASN A 69 7.861 6.709 6.627 1.00 0.00 H new ATOM 0 HA ASN A 69 9.736 7.060 5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.696 8.987 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.962 9.983 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.604 11.127 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.875 11.291 4.008 1.00 0.00 H new ATOM 1032 N GLY A 70 10.586 9.342 7.742 1.00 0.00 N ATOM 1033 CA GLY A 70 11.575 9.705 8.743 1.00 0.00 C ATOM 1034 C GLY A 70 11.915 11.194 8.662 1.00 0.00 C ATOM 1035 O GLY A 70 12.484 11.756 9.597 1.00 0.00 O ATOM 0 H GLY A 70 9.901 10.069 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.195 9.468 9.737 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.479 9.113 8.598 1.00 0.00 H new ATOM 1135 N ARG B 8 7.411 16.062 -8.717 1.00 0.00 N ATOM 1136 CA ARG B 8 6.357 16.394 -7.774 1.00 0.00 C ATOM 1137 C ARG B 8 5.729 15.118 -7.208 1.00 0.00 C ATOM 1138 O ARG B 8 6.424 14.129 -6.980 1.00 0.00 O ATOM 1139 CB ARG B 8 5.268 17.237 -8.440 1.00 0.00 C ATOM 1140 CG ARG B 8 5.881 18.352 -9.290 1.00 0.00 C ATOM 1141 CD ARG B 8 5.927 19.670 -8.515 1.00 0.00 C ATOM 1142 NE ARG B 8 6.849 20.617 -9.181 1.00 0.00 N ATOM 1143 CZ ARG B 8 6.546 21.308 -10.289 1.00 0.00 C ATOM 1144 NH1 ARG B 8 5.343 21.162 -10.861 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.445 22.145 -10.824 1.00 0.00 N ATOM 0 HA ARG B 8 6.805 16.972 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.642 16.601 -9.065 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.621 17.670 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.889 18.070 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.297 18.482 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.928 20.102 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG B 8 6.256 19.488 -7.492 1.00 0.00 H new ATOM 0 HE ARG B 8 7.773 20.752 -8.771 1.00 0.00 H new ATOM 0 HH11 ARG B 8 4.658 20.525 -10.453 1.00 0.00 H new ATOM 0 HH12 ARG B 8 5.112 21.688 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG B 8 8.360 22.257 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG B 8 7.214 22.671 -11.667 1.00 0.00 H new ATOM 1159 N CYS B 9 4.422 15.182 -6.999 1.00 0.00 N ATOM 1160 CA CYS B 9 3.694 14.044 -6.465 1.00 0.00 C ATOM 1161 C CYS B 9 2.996 13.332 -7.626 1.00 0.00 C ATOM 1162 O CYS B 9 2.774 13.926 -8.679 1.00 0.00 O ATOM 1163 CB CYS B 9 2.704 14.467 -5.377 1.00 0.00 C ATOM 1164 SG CYS B 9 3.432 14.659 -3.710 1.00 0.00 S ATOM 0 H CYS B 9 3.849 16.004 -7.190 1.00 0.00 H new ATOM 0 HA CYS B 9 4.390 13.356 -5.985 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.247 15.412 -5.669 1.00 0.00 H new ATOM 0 HB3 CYS B 9 1.904 13.728 -5.326 1.00 0.00 H new ATOM 1169 N GLN B 10 2.671 12.069 -7.393 1.00 0.00 N ATOM 1170 CA GLN B 10 2.004 11.269 -8.407 1.00 0.00 C ATOM 1171 C GLN B 10 0.494 11.515 -8.368 1.00 0.00 C ATOM 1172 O GLN B 10 -0.245 10.995 -9.202 1.00 0.00 O ATOM 1173 CB GLN B 10 2.322 9.783 -8.230 1.00 0.00 C ATOM 1174 CG GLN B 10 2.126 9.021 -9.542 1.00 0.00 C ATOM 1175 CD GLN B 10 1.309 7.746 -9.318 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.414 7.411 -10.077 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.666 7.058 -8.238 1.00 0.00 N ATOM 0 H GLN B 10 2.857 11.580 -6.517 1.00 0.00 H new ATOM 0 HA GLN B 10 2.377 11.572 -9.385 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.350 9.666 -7.887 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.678 9.359 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.619 9.660 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.097 8.765 -9.967 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.425 7.396 -7.646 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.181 6.192 -8.002 1.00 0.00 H new ATOM 1186 N CYS B 11 0.081 12.309 -7.390 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.327 12.630 -7.232 1.00 0.00 C ATOM 1188 C CYS B 11 -1.439 14.084 -6.768 1.00 0.00 C ATOM 1189 O CYS B 11 -0.721 14.507 -5.862 1.00 0.00 O ATOM 1190 CB CYS B 11 -2.021 11.668 -6.266 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.504 10.836 -6.945 1.00 0.00 S ATOM 0 H CYS B 11 0.697 12.739 -6.700 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.839 12.514 -8.187 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.305 10.907 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.309 12.219 -5.371 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.344 14.808 -7.409 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.559 16.206 -7.073 1.00 0.00 C ATOM 1198 C LEU B 12 -3.697 16.312 -6.056 1.00 0.00 C ATOM 1199 O LEU B 12 -3.838 17.331 -5.382 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.787 17.032 -8.340 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.881 16.703 -9.528 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.601 16.957 -10.854 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.559 17.468 -9.438 1.00 0.00 C ATOM 0 H LEU B 12 -2.937 14.453 -8.159 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.670 16.626 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.823 16.903 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.658 18.085 -8.091 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.641 15.640 -9.490 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.935 16.715 -11.682 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.492 16.331 -10.910 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.890 18.006 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.066 17.216 -10.294 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.758 18.540 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.042 17.194 -8.518 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.480 15.246 -5.978 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.601 15.206 -5.055 1.00 0.00 C ATOM 1217 C GLN B 13 -5.636 13.865 -4.319 1.00 0.00 C ATOM 1218 O GLN B 13 -4.915 12.936 -4.680 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.921 15.467 -5.783 1.00 0.00 C ATOM 1220 CG GLN B 13 -7.952 16.095 -4.844 1.00 0.00 C ATOM 1221 CD GLN B 13 -8.600 17.324 -5.483 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -8.728 17.432 -6.692 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -8.999 18.242 -4.608 1.00 0.00 N ATOM 0 H GLN B 13 -4.360 14.403 -6.539 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.468 15.999 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.747 16.128 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.311 14.531 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.720 15.361 -4.598 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.471 16.379 -3.908 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -8.861 18.088 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -9.443 19.100 -4.936 1.00 0.00 H new ATOM 1232 N THR B 14 -6.482 13.807 -3.300 1.00 0.00 N ATOM 1233 CA THR B 14 -6.620 12.596 -2.511 1.00 0.00 C ATOM 1234 C THR B 14 -8.039 12.484 -1.949 1.00 0.00 C ATOM 1235 O THR B 14 -8.792 13.456 -1.959 1.00 0.00 O ATOM 1236 CB THR B 14 -5.538 12.610 -1.430 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.403 13.987 -1.090 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.161 12.224 -1.974 1.00 0.00 C ATOM 0 H THR B 14 -7.078 14.580 -3.003 1.00 0.00 H new ATOM 0 HA THR B 14 -6.476 11.706 -3.124 1.00 0.00 H new ATOM 0 HB THR B 14 -5.817 11.925 -0.630 1.00 0.00 H new ATOM 0 HG1 THR B 14 -4.721 14.087 -0.393 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.430 12.250 -1.166 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.204 11.218 -2.392 1.00 0.00 H new ATOM 0 HG23 THR B 14 -3.867 12.928 -2.752 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.360 11.291 -1.472 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.675 11.040 -0.907 1.00 0.00 C ATOM 1248 C LEU B 15 -9.593 11.119 0.619 1.00 0.00 C ATOM 1249 O LEU B 15 -8.513 10.997 1.194 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.236 9.714 -1.424 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.312 9.565 -2.945 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.034 8.122 -3.369 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -11.653 10.071 -3.480 1.00 0.00 C ATOM 0 H LEU B 15 -7.732 10.487 -1.465 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.381 11.806 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.622 8.904 -1.030 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.238 9.582 -1.015 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.534 10.187 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.094 8.044 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.037 7.832 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.773 7.461 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -11.680 9.953 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.464 9.496 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -11.772 11.124 -3.226 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.750 11.325 1.231 1.00 0.00 N ATOM 1266 CA GLN B 16 -10.823 11.422 2.679 1.00 0.00 C ATOM 1267 C GLN B 16 -11.052 10.040 3.294 1.00 0.00 C ATOM 1268 O GLN B 16 -10.889 9.858 4.499 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.918 12.401 3.108 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.295 12.193 4.576 1.00 0.00 C ATOM 1271 CD GLN B 16 -12.881 13.472 5.178 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -13.827 14.051 4.670 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.269 13.878 6.287 1.00 0.00 N ATOM 0 H GLN B 16 -11.644 11.427 0.751 1.00 0.00 H new ATOM 0 HA GLN B 16 -9.872 11.808 3.046 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -11.575 13.425 2.959 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.798 12.265 2.480 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.020 11.383 4.658 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.414 11.891 5.142 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -11.482 13.346 6.659 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -12.586 14.721 6.765 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.426 9.101 2.437 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.679 7.741 2.880 1.00 0.00 C ATOM 1284 C GLY B 17 -12.950 7.182 2.236 1.00 0.00 C ATOM 1285 O GLY B 17 -14.057 7.469 2.688 1.00 0.00 O ATOM 0 H GLY B 17 -11.560 9.256 1.438 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.829 7.108 2.625 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.778 7.721 3.965 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.747 6.392 1.191 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.862 5.790 0.481 1.00 0.00 C ATOM 1291 C ILE B 18 -14.040 4.345 0.950 1.00 0.00 C ATOM 1292 O ILE B 18 -13.136 3.770 1.555 1.00 0.00 O ATOM 1293 CB ILE B 18 -13.671 5.927 -1.031 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -14.180 7.282 -1.528 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -14.326 4.761 -1.774 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -13.825 7.494 -3.001 1.00 0.00 C ATOM 0 H ILE B 18 -11.827 6.155 0.820 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.788 6.316 0.711 1.00 0.00 H new ATOM 0 HB ILE B 18 -12.603 5.886 -1.245 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -15.261 7.338 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -13.745 8.081 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -14.176 4.883 -2.847 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.876 3.823 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -15.394 4.745 -1.557 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.198 8.464 -3.329 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -12.742 7.461 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -14.281 6.708 -3.602 1.00 0.00 H new ATOM 1308 N HIS B 19 -15.210 3.799 0.653 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.517 2.432 1.037 1.00 0.00 C ATOM 1310 C HIS B 19 -14.467 1.486 0.452 1.00 0.00 C ATOM 1311 O HIS B 19 -14.120 1.590 -0.724 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.944 2.061 0.628 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.723 1.341 1.703 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -19.076 1.071 1.594 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.326 0.837 2.906 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.465 0.434 2.689 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.379 0.291 3.501 1.00 0.00 N ATOM 0 H HIS B 19 -15.957 4.279 0.151 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.476 2.337 2.122 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.480 2.969 0.352 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.904 1.432 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.324 0.876 3.307 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.466 0.089 2.901 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.376 -0.161 4.415 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.991 0.585 1.298 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.987 -0.378 0.880 1.00 0.00 C ATOM 1327 C LEU B 20 -13.667 -1.517 0.116 1.00 0.00 C ATOM 1328 O LEU B 20 -13.008 -2.466 -0.305 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.163 -0.849 2.079 1.00 0.00 C ATOM 1330 CG LEU B 20 -10.990 -1.780 1.764 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -9.746 -0.980 1.371 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.715 -2.731 2.930 1.00 0.00 C ATOM 0 H LEU B 20 -14.282 0.501 2.272 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.276 0.086 0.197 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -11.775 0.029 2.595 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.829 -1.359 2.774 1.00 0.00 H new ATOM 0 HG LEU B 20 -11.263 -2.394 0.906 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -8.927 -1.665 1.152 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -9.963 -0.380 0.487 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.460 -0.324 2.193 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -9.877 -3.381 2.679 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.472 -2.153 3.821 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.600 -3.338 3.121 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.976 -1.384 -0.038 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.752 -2.390 -0.744 1.00 0.00 C ATOM 1346 C LYS B 21 -15.401 -2.347 -2.232 1.00 0.00 C ATOM 1347 O LYS B 21 -15.806 -3.224 -2.994 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.245 -2.212 -0.458 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.591 -2.677 0.958 1.00 0.00 C ATOM 1350 CD LYS B 21 -18.126 -4.111 0.949 1.00 0.00 C ATOM 1351 CE LYS B 21 -17.727 -4.853 2.226 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.761 -4.680 3.271 1.00 0.00 N ATOM 0 H LYS B 21 -15.519 -0.595 0.314 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.499 -3.388 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.519 -1.164 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.828 -2.779 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -16.705 -2.620 1.590 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -18.336 -2.010 1.392 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.212 -4.097 0.856 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -17.739 -4.642 0.079 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -17.593 -5.913 2.011 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.770 -4.478 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -18.474 -5.190 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -18.869 -3.669 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -19.667 -5.060 2.929 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.652 -1.319 -2.602 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.243 -1.150 -3.986 1.00 0.00 C ATOM 1368 C ASN B 22 -12.730 -1.353 -4.094 1.00 0.00 C ATOM 1369 O ASN B 22 -12.253 -2.020 -5.010 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.568 0.257 -4.489 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.943 0.295 -5.160 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -16.134 -0.174 -6.270 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.886 0.879 -4.426 1.00 0.00 N ATOM 0 H ASN B 22 -14.317 -0.594 -1.967 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.782 -1.881 -4.588 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.546 0.959 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.805 0.579 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.838 0.955 -4.785 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.658 1.251 -3.504 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.017 -0.765 -3.144 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.568 -0.873 -3.120 1.00 0.00 C ATOM 1382 C ILE B 23 -10.170 -2.348 -3.197 1.00 0.00 C ATOM 1383 O ILE B 23 -10.725 -3.183 -2.485 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.997 -0.144 -1.903 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.923 1.364 -2.151 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.639 -0.725 -1.503 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.403 2.145 -0.926 1.00 0.00 C ATOM 0 H ILE B 23 -12.416 -0.212 -2.385 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.134 -0.380 -3.990 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.675 -0.300 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.898 1.647 -2.389 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.534 1.625 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.255 -0.189 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.753 -1.780 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.940 -0.620 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.340 3.214 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.436 1.877 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.775 1.901 -0.070 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.210 -2.624 -4.068 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.730 -3.984 -4.247 1.00 0.00 C ATOM 1401 C GLN B 24 -7.279 -4.101 -3.777 1.00 0.00 C ATOM 1402 O GLN B 24 -6.829 -5.183 -3.401 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.872 -4.428 -5.704 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.432 -5.849 -5.792 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.377 -6.880 -5.385 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -7.259 -6.822 -6.103 1.00 0.00 O flip ATOM 1407 NE2 GLN B 24 -8.567 -7.675 -4.480 1.00 0.00 N flip ATOM 0 H GLN B 24 -8.752 -1.929 -4.657 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.343 -4.648 -3.638 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.530 -3.740 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.901 -4.385 -6.197 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -10.304 -5.941 -5.145 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.768 -6.049 -6.810 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -9.450 -7.665 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -7.843 -8.350 -4.234 1.00 0.00 H new ATOM 1416 N SER B 25 -6.585 -2.972 -3.814 1.00 0.00 N ATOM 1417 CA SER B 25 -5.194 -2.935 -3.396 1.00 0.00 C ATOM 1418 C SER B 25 -4.854 -1.554 -2.833 1.00 0.00 C ATOM 1419 O SER B 25 -5.600 -0.597 -3.033 1.00 0.00 O ATOM 1420 CB SER B 25 -4.261 -3.279 -4.559 1.00 0.00 C ATOM 1421 OG SER B 25 -4.982 -3.619 -5.740 1.00 0.00 O ATOM 0 H SER B 25 -6.960 -2.077 -4.127 1.00 0.00 H new ATOM 0 HA SER B 25 -5.050 -3.683 -2.617 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.609 -2.430 -4.764 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.619 -4.112 -4.274 1.00 0.00 H new ATOM 0 HG SER B 25 -4.351 -3.830 -6.459 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.726 -1.494 -2.140 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.278 -0.246 -1.546 1.00 0.00 C ATOM 1429 C VAL B 26 -1.842 0.039 -1.991 1.00 0.00 C ATOM 1430 O VAL B 26 -1.036 -0.881 -2.126 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.432 -0.305 -0.025 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.687 0.851 0.647 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -4.908 -0.312 0.377 1.00 0.00 C ATOM 0 H VAL B 26 -3.109 -2.290 -1.977 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.896 0.584 -1.890 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.986 -1.238 0.320 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.813 0.786 1.728 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.627 0.793 0.401 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.090 1.799 0.292 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.989 -0.354 1.463 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.389 0.596 0.012 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.399 -1.182 -0.058 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.566 1.317 -2.207 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.241 1.734 -2.634 1.00 0.00 C ATOM 1445 C LYS B 27 0.221 2.911 -1.773 1.00 0.00 C ATOM 1446 O LYS B 27 -0.431 3.953 -1.739 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.230 2.030 -4.136 1.00 0.00 C ATOM 1448 CG LYS B 27 1.143 2.530 -4.586 1.00 0.00 C ATOM 1449 CD LYS B 27 2.263 1.687 -3.973 1.00 0.00 C ATOM 1450 CE LYS B 27 3.488 1.651 -4.889 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.400 0.555 -4.493 1.00 0.00 N ATOM 0 H LYS B 27 -2.237 2.077 -2.094 1.00 0.00 H new ATOM 0 HA LYS B 27 0.478 0.928 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.492 1.129 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.988 2.778 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.209 2.493 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.267 3.573 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.542 2.098 -3.003 1.00 0.00 H new ATOM 0 HD3 LYS B 27 1.905 0.672 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.172 1.513 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.014 2.605 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.382 0.831 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.295 0.366 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.165 -0.304 -5.031 1.00 0.00 H new ATOM 1465 N VAL B 28 1.342 2.704 -1.097 1.00 0.00 N ATOM 1466 CA VAL B 28 1.898 3.735 -0.237 1.00 0.00 C ATOM 1467 C VAL B 28 3.243 4.194 -0.804 1.00 0.00 C ATOM 1468 O VAL B 28 4.190 3.411 -0.877 1.00 0.00 O ATOM 1469 CB VAL B 28 2.000 3.219 1.200 1.00 0.00 C ATOM 1470 CG1 VAL B 28 3.459 2.998 1.601 1.00 0.00 C ATOM 1471 CG2 VAL B 28 1.302 4.171 2.174 1.00 0.00 C ATOM 0 H VAL B 28 1.880 1.838 -1.127 1.00 0.00 H new ATOM 0 HA VAL B 28 1.242 4.605 -0.210 1.00 0.00 H new ATOM 0 HB VAL B 28 1.490 2.257 1.248 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.503 2.631 2.627 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.913 2.265 0.934 1.00 0.00 H new ATOM 0 HG13 VAL B 28 4.003 3.940 1.529 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.389 3.782 3.188 1.00 0.00 H new ATOM 0 HG22 VAL B 28 1.771 5.154 2.121 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.249 4.257 1.907 1.00 0.00 H new ATOM 1481 N LYS B 29 3.285 5.460 -1.191 1.00 0.00 N ATOM 1482 CA LYS B 29 4.499 6.033 -1.749 1.00 0.00 C ATOM 1483 C LYS B 29 4.880 7.283 -0.954 1.00 0.00 C ATOM 1484 O LYS B 29 4.345 8.364 -1.196 1.00 0.00 O ATOM 1485 CB LYS B 29 4.332 6.285 -3.249 1.00 0.00 C ATOM 1486 CG LYS B 29 5.687 6.518 -3.920 1.00 0.00 C ATOM 1487 CD LYS B 29 6.038 8.007 -3.944 1.00 0.00 C ATOM 1488 CE LYS B 29 5.707 8.626 -5.303 1.00 0.00 C ATOM 1489 NZ LYS B 29 5.172 9.995 -5.133 1.00 0.00 N ATOM 0 H LYS B 29 2.498 6.106 -1.129 1.00 0.00 H new ATOM 0 HA LYS B 29 5.328 5.332 -1.657 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.835 5.432 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.690 7.152 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.461 5.967 -3.386 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.664 6.130 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.488 8.527 -3.160 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.099 8.138 -3.729 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.602 8.654 -5.924 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.977 8.006 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 4.953 10.400 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.306 9.960 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.881 10.588 -4.656 1.00 0.00 H new ATOM 1503 N SER B 30 5.801 7.094 -0.020 1.00 0.00 N ATOM 1504 CA SER B 30 6.260 8.193 0.812 1.00 0.00 C ATOM 1505 C SER B 30 6.801 9.324 -0.066 1.00 0.00 C ATOM 1506 O SER B 30 6.862 9.191 -1.287 1.00 0.00 O ATOM 1507 CB SER B 30 7.333 7.727 1.798 1.00 0.00 C ATOM 1508 OG SER B 30 6.997 8.048 3.144 1.00 0.00 O ATOM 0 H SER B 30 6.242 6.196 0.179 1.00 0.00 H new ATOM 0 HA SER B 30 5.412 8.563 1.388 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.467 6.649 1.705 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.286 8.190 1.542 1.00 0.00 H new ATOM 0 HG SER B 30 6.490 7.309 3.540 1.00 0.00 H new ATOM 1514 N PRO B 31 7.190 10.439 0.608 1.00 0.00 N ATOM 1515 CA PRO B 31 7.724 11.592 -0.097 1.00 0.00 C ATOM 1516 C PRO B 31 9.157 11.333 -0.565 1.00 0.00 C ATOM 1517 O PRO B 31 9.682 10.234 -0.391 1.00 0.00 O ATOM 1518 CB PRO B 31 7.621 12.741 0.893 1.00 0.00 C ATOM 1519 CG PRO B 31 7.468 12.099 2.262 1.00 0.00 C ATOM 1520 CD PRO B 31 7.132 10.631 2.054 1.00 0.00 C ATOM 0 HA PRO B 31 7.173 11.819 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.510 13.371 0.854 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.768 13.379 0.663 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.388 12.202 2.837 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.680 12.594 2.830 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.844 9.985 2.568 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.143 10.392 2.446 1.00 0.00 H new ATOM 1528 N GLY B 32 9.750 12.363 -1.150 1.00 0.00 N ATOM 1529 CA GLY B 32 11.112 12.261 -1.645 1.00 0.00 C ATOM 1530 C GLY B 32 11.768 13.640 -1.734 1.00 0.00 C ATOM 1531 O GLY B 32 11.299 14.596 -1.118 1.00 0.00 O ATOM 0 H GLY B 32 9.312 13.273 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.695 11.619 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.111 11.791 -2.628 1.00 0.00 H new ATOM 1535 N PRO B 33 12.870 13.702 -2.528 1.00 0.00 N ATOM 1536 CA PRO B 33 13.595 14.949 -2.706 1.00 0.00 C ATOM 1537 C PRO B 33 12.833 15.899 -3.632 1.00 0.00 C ATOM 1538 O PRO B 33 13.304 16.997 -3.924 1.00 0.00 O ATOM 1539 CB PRO B 33 14.951 14.540 -3.260 1.00 0.00 C ATOM 1540 CG PRO B 33 14.771 13.133 -3.807 1.00 0.00 C ATOM 1541 CD PRO B 33 13.454 12.591 -3.274 1.00 0.00 C ATOM 0 HA PRO B 33 13.711 15.505 -1.776 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.276 15.225 -4.043 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.714 14.562 -2.482 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.766 13.145 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.599 12.495 -3.499 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.800 12.272 -4.085 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.613 11.724 -2.633 1.00 0.00 H new ATOM 1549 N HIS B 34 11.669 15.441 -4.068 1.00 0.00 N ATOM 1550 CA HIS B 34 10.837 16.237 -4.955 1.00 0.00 C ATOM 1551 C HIS B 34 9.537 16.612 -4.240 1.00 0.00 C ATOM 1552 O HIS B 34 9.144 17.778 -4.230 1.00 0.00 O ATOM 1553 CB HIS B 34 10.596 15.504 -6.277 1.00 0.00 C ATOM 1554 CG HIS B 34 10.519 14.002 -6.141 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.601 13.228 -5.758 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.480 13.141 -6.341 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.218 11.959 -5.733 1.00 0.00 C ATOM 1558 NE2 HIS B 34 9.904 11.908 -6.094 1.00 0.00 N ATOM 0 H HIS B 34 11.282 14.529 -3.824 1.00 0.00 H new ATOM 0 HA HIS B 34 11.352 17.164 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.667 15.867 -6.718 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.398 15.755 -6.971 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.482 13.416 -6.648 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.838 11.114 -5.472 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.340 11.061 -6.163 1.00 0.00 H new ATOM 1566 N CYS B 35 8.906 15.602 -3.660 1.00 0.00 N ATOM 1567 CA CYS B 35 7.659 15.812 -2.944 1.00 0.00 C ATOM 1568 C CYS B 35 7.898 15.508 -1.464 1.00 0.00 C ATOM 1569 O CYS B 35 8.238 14.382 -1.104 1.00 0.00 O ATOM 1570 CB CYS B 35 6.525 14.964 -3.524 1.00 0.00 C ATOM 1571 SG CYS B 35 5.042 15.910 -4.030 1.00 0.00 S ATOM 0 H CYS B 35 9.234 14.636 -3.671 1.00 0.00 H new ATOM 0 HA CYS B 35 7.343 16.849 -3.055 1.00 0.00 H new ATOM 0 HB2 CYS B 35 6.903 14.419 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.230 14.221 -2.783 1.00 0.00 H new ATOM 1576 N ALA B 36 7.710 16.533 -0.645 1.00 0.00 N ATOM 1577 CA ALA B 36 7.901 16.390 0.789 1.00 0.00 C ATOM 1578 C ALA B 36 6.572 16.002 1.440 1.00 0.00 C ATOM 1579 O ALA B 36 6.362 16.249 2.626 1.00 0.00 O ATOM 1580 CB ALA B 36 8.473 17.689 1.360 1.00 0.00 C ATOM 0 H ALA B 36 7.428 17.465 -0.947 1.00 0.00 H new ATOM 0 HA ALA B 36 8.617 15.597 1.004 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.616 17.582 2.435 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.431 17.904 0.886 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.780 18.508 1.166 1.00 0.00 H new ATOM 1586 N GLN B 37 5.708 15.401 0.634 1.00 0.00 N ATOM 1587 CA GLN B 37 4.405 14.977 1.117 1.00 0.00 C ATOM 1588 C GLN B 37 4.151 13.515 0.745 1.00 0.00 C ATOM 1589 O GLN B 37 4.779 12.986 -0.170 1.00 0.00 O ATOM 1590 CB GLN B 37 3.297 15.881 0.572 1.00 0.00 C ATOM 1591 CG GLN B 37 3.678 17.357 0.707 1.00 0.00 C ATOM 1592 CD GLN B 37 3.603 18.069 -0.645 1.00 0.00 C ATOM 1593 OE1 GLN B 37 2.631 18.728 -0.975 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.680 17.899 -1.407 1.00 0.00 N ATOM 0 H GLN B 37 5.885 15.198 -0.350 1.00 0.00 H new ATOM 0 HA GLN B 37 4.397 15.062 2.204 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.112 15.644 -0.476 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.369 15.690 1.111 1.00 0.00 H new ATOM 0 HG2 GLN B 37 3.010 17.845 1.417 1.00 0.00 H new ATOM 0 HG3 GLN B 37 4.687 17.440 1.110 1.00 0.00 H new ATOM 0 HE21 GLN B 37 5.460 17.334 -1.070 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.726 18.333 -2.329 1.00 0.00 H new ATOM 1603 N THR B 38 3.230 12.903 1.475 1.00 0.00 N ATOM 1604 CA THR B 38 2.886 11.512 1.234 1.00 0.00 C ATOM 1605 C THR B 38 1.906 11.401 0.064 1.00 0.00 C ATOM 1606 O THR B 38 1.224 12.368 -0.274 1.00 0.00 O ATOM 1607 CB THR B 38 2.343 10.926 2.539 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.278 11.354 3.526 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.434 9.399 2.577 1.00 0.00 C ATOM 0 H THR B 38 2.711 13.345 2.234 1.00 0.00 H new ATOM 0 HA THR B 38 3.762 10.933 0.941 1.00 0.00 H new ATOM 0 HB THR B 38 1.305 11.231 2.670 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.002 11.020 4.405 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.036 9.034 3.524 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.855 8.979 1.754 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.476 9.094 2.480 1.00 0.00 H new ATOM 1617 N GLU B 39 1.866 10.213 -0.522 1.00 0.00 N ATOM 1618 CA GLU B 39 0.981 9.963 -1.646 1.00 0.00 C ATOM 1619 C GLU B 39 0.373 8.562 -1.542 1.00 0.00 C ATOM 1620 O GLU B 39 0.846 7.627 -2.186 1.00 0.00 O ATOM 1621 CB GLU B 39 1.717 10.143 -2.975 1.00 0.00 C ATOM 1622 CG GLU B 39 1.589 11.581 -3.482 1.00 0.00 C ATOM 1623 CD GLU B 39 0.124 11.947 -3.728 1.00 0.00 C ATOM 1624 OE1 GLU B 39 -0.699 11.007 -3.755 1.00 0.00 O ATOM 1625 OE2 GLU B 39 -0.141 13.159 -3.883 1.00 0.00 O ATOM 0 H GLU B 39 2.432 9.413 -0.239 1.00 0.00 H new ATOM 0 HA GLU B 39 0.172 10.693 -1.615 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.770 9.890 -2.849 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.311 9.455 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU B 39 2.022 12.267 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.157 11.697 -4.405 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.666 8.462 -0.726 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.343 7.191 -0.530 1.00 0.00 C ATOM 1634 C VAL B 40 -2.303 6.944 -1.695 1.00 0.00 C ATOM 1635 O VAL B 40 -3.146 7.787 -1.999 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.039 7.174 0.833 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -2.656 5.803 1.116 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.073 7.582 1.947 1.00 0.00 C ATOM 0 H VAL B 40 -1.055 9.240 -0.193 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.624 6.372 -0.523 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.847 7.905 0.806 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.144 5.818 2.090 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.391 5.569 0.346 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -1.873 5.044 1.114 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.593 7.562 2.905 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.234 6.886 1.974 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.703 8.589 1.757 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.144 5.784 -2.315 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.986 5.416 -3.440 1.00 0.00 C ATOM 1650 C ILE B 41 -3.615 4.046 -3.174 1.00 0.00 C ATOM 1651 O ILE B 41 -3.087 3.258 -2.392 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.195 5.485 -4.748 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.026 6.465 -4.630 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.111 5.824 -5.926 1.00 0.00 C ATOM 1655 CD1 ILE B 41 -1.527 7.887 -4.369 1.00 0.00 C ATOM 0 H ILE B 41 -1.445 5.087 -2.059 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.804 6.128 -3.551 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.771 4.500 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -0.366 6.154 -3.820 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -0.437 6.446 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.524 5.867 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.879 5.056 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.584 6.791 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -0.676 8.564 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.167 8.204 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -2.095 7.908 -3.439 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.735 3.806 -3.840 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.442 2.545 -3.685 1.00 0.00 C ATOM 1669 C ALA B 42 -6.034 2.129 -5.033 1.00 0.00 C ATOM 1670 O ALA B 42 -6.644 2.942 -5.725 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.509 2.688 -2.598 1.00 0.00 C ATOM 0 H ALA B 42 -5.170 4.463 -4.488 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.758 1.758 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.039 1.743 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.034 2.956 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.216 3.468 -2.882 1.00 0.00 H new ATOM 1677 N THR B 43 -5.834 0.862 -5.365 1.00 0.00 N ATOM 1678 CA THR B 43 -6.341 0.327 -6.617 1.00 0.00 C ATOM 1679 C THR B 43 -7.793 -0.128 -6.454 1.00 0.00 C ATOM 1680 O THR B 43 -8.160 -0.685 -5.420 1.00 0.00 O ATOM 1681 CB THR B 43 -5.400 -0.791 -7.069 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.225 -0.106 -7.494 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.897 -1.499 -8.331 1.00 0.00 C ATOM 0 H THR B 43 -5.328 0.190 -4.788 1.00 0.00 H new ATOM 0 HA THR B 43 -6.359 1.090 -7.395 1.00 0.00 H new ATOM 0 HB THR B 43 -5.288 -1.518 -6.265 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.560 -0.757 -7.802 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.193 -2.283 -8.609 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.875 -1.940 -8.139 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.977 -0.778 -9.145 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.579 0.125 -7.490 1.00 0.00 N ATOM 1692 CA LEU B 44 -9.982 -0.252 -7.474 1.00 0.00 C ATOM 1693 C LEU B 44 -10.131 -1.670 -8.028 1.00 0.00 C ATOM 1694 O LEU B 44 -9.337 -2.101 -8.863 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.825 0.789 -8.215 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.079 1.277 -7.488 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.567 2.605 -8.068 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.173 0.207 -7.504 1.00 0.00 C ATOM 0 H LEU B 44 -8.271 0.586 -8.346 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.361 -0.267 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.195 1.652 -8.430 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.126 0.368 -9.174 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.821 1.458 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.460 2.929 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.786 3.358 -7.961 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.804 2.476 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.054 0.579 -6.981 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.436 -0.029 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.809 -0.693 -7.008 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.153 -2.358 -7.540 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.416 -3.719 -7.975 1.00 0.00 C ATOM 1712 C LYS B 45 -12.001 -3.693 -9.389 1.00 0.00 C ATOM 1713 O LYS B 45 -12.216 -4.742 -9.994 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.297 -4.446 -6.958 1.00 0.00 C ATOM 1715 CG LYS B 45 -13.090 -5.572 -7.625 1.00 0.00 C ATOM 1716 CD LYS B 45 -12.154 -6.640 -8.192 1.00 0.00 C ATOM 1717 CE LYS B 45 -12.042 -7.833 -7.240 1.00 0.00 C ATOM 1718 NZ LYS B 45 -12.530 -9.067 -7.896 1.00 0.00 N ATOM 0 H LYS B 45 -11.809 -1.998 -6.847 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.489 -4.290 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.676 -4.856 -6.161 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -12.984 -3.738 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -13.767 -6.024 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -13.707 -5.163 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -12.525 -6.976 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -11.166 -6.211 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -11.005 -7.964 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -12.621 -7.641 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -12.447 -9.867 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -13.526 -8.945 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -11.960 -9.258 -8.745 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.242 -2.484 -9.874 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.798 -2.309 -11.204 1.00 0.00 C ATOM 1734 C ASN B 46 -11.671 -1.971 -12.183 1.00 0.00 C ATOM 1735 O ASN B 46 -11.887 -1.927 -13.393 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.808 -1.160 -11.232 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.671 -0.340 -12.517 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -13.250 0.907 -12.320 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -13.929 -0.808 -13.613 1.00 0.00 N flip ATOM 0 H ASN B 46 -12.062 -1.616 -9.369 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.298 -3.236 -11.485 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.820 -1.559 -11.157 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.655 -0.515 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -14.248 -1.774 -13.693 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.826 -0.234 -14.450 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.493 -1.741 -11.622 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.332 -1.409 -12.430 1.00 0.00 C ATOM 1748 C GLY B 47 -8.945 0.061 -12.256 1.00 0.00 C ATOM 1749 O GLY B 47 -7.895 0.491 -12.731 1.00 0.00 O ATOM 0 H GLY B 47 -10.318 -1.778 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.494 -2.045 -12.147 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.545 -1.611 -13.480 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.814 0.792 -11.574 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.577 2.204 -11.331 1.00 0.00 C ATOM 1755 C GLN B 48 -8.663 2.388 -10.118 1.00 0.00 C ATOM 1756 O GLN B 48 -8.140 1.415 -9.577 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.895 2.958 -11.143 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.453 3.432 -12.487 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.845 4.043 -12.318 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -12.947 5.289 -12.771 1.00 0.00 O flip ATOM 1761 NE2 GLN B 48 -13.766 3.424 -11.810 1.00 0.00 N flip ATOM 0 H GLN B 48 -10.684 0.432 -11.182 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.078 2.623 -12.205 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.621 2.311 -10.652 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.737 3.815 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.779 4.169 -12.925 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.502 2.593 -13.181 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -13.620 2.469 -11.483 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.682 3.862 -11.713 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.497 3.643 -9.727 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.655 3.967 -8.588 1.00 0.00 C ATOM 1772 C LYS B 49 -8.248 5.166 -7.845 1.00 0.00 C ATOM 1773 O LYS B 49 -8.807 6.070 -8.465 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.207 4.176 -9.034 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.693 2.962 -9.811 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.231 3.153 -10.222 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.717 1.939 -10.999 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.238 1.948 -11.056 1.00 0.00 N ATOM 0 H LYS B 49 -8.931 4.448 -10.179 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.631 3.135 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.140 5.067 -9.658 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.575 4.349 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.788 2.066 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.307 2.807 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.136 4.049 -10.836 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.617 3.308 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -4.063 1.022 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.126 1.947 -12.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -1.906 1.118 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -1.914 2.815 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.853 1.918 -10.090 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.106 5.135 -6.528 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.621 6.209 -5.695 1.00 0.00 C ATOM 1794 C ALA B 50 -7.531 6.660 -4.721 1.00 0.00 C ATOM 1795 O ALA B 50 -7.154 5.916 -3.816 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.885 5.735 -4.975 1.00 0.00 C ATOM 0 H ALA B 50 -7.642 4.384 -6.017 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.896 7.070 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.271 6.540 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.638 5.453 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.647 4.874 -4.351 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.053 7.877 -4.939 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.014 8.436 -4.092 1.00 0.00 C ATOM 1804 C CYS B 51 -6.611 8.698 -2.708 1.00 0.00 C ATOM 1805 O CYS B 51 -7.745 9.160 -2.595 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.408 9.702 -4.702 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.879 9.432 -5.670 1.00 0.00 S ATOM 0 H CYS B 51 -7.367 8.491 -5.690 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.192 7.725 -4.003 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.152 10.169 -5.347 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.193 10.408 -3.900 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.820 8.391 -1.690 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.256 8.587 -0.318 1.00 0.00 C ATOM 1814 C LEU B 52 -5.429 9.705 0.320 1.00 0.00 C ATOM 1815 O LEU B 52 -4.315 9.987 -0.120 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.206 7.267 0.454 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.056 6.127 -0.112 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.566 4.772 0.402 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.540 6.350 0.186 1.00 0.00 C ATOM 0 H LEU B 52 -4.880 8.008 -1.788 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.298 8.906 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.169 6.934 0.498 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.524 7.456 1.479 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.943 6.121 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.187 3.979 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.530 4.620 0.098 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.632 4.750 1.490 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.122 5.526 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.692 6.397 1.264 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.865 7.287 -0.267 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.005 10.311 1.348 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.335 11.391 2.052 1.00 0.00 C ATOM 1833 C ASN B 53 -4.522 10.812 3.211 1.00 0.00 C ATOM 1834 O ASN B 53 -5.076 10.172 4.104 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.347 12.381 2.632 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.643 13.621 3.189 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -6.099 14.015 4.374 1.00 0.00 O flip ATOM 1838 ND2 ASN B 53 -4.746 14.182 2.582 1.00 0.00 N flip ATOM 0 H ASN B 53 -6.929 10.074 1.710 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.691 11.908 1.341 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.056 12.677 1.859 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.921 11.898 3.423 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -4.444 13.826 1.675 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -4.298 15.007 2.981 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.186 11.063 3.158 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.291 10.574 4.193 1.00 0.00 C ATOM 1847 C PRO B 54 -2.431 11.399 5.474 1.00 0.00 C ATOM 1848 O PRO B 54 -1.738 11.146 6.458 1.00 0.00 O ATOM 1849 CB PRO B 54 -0.902 10.655 3.582 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.018 11.616 2.410 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.495 11.817 2.116 1.00 0.00 C ATOM 0 HA PRO B 54 -2.518 9.552 4.498 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.175 11.014 4.311 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.563 9.673 3.250 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.543 12.568 2.649 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.506 11.215 1.535 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.765 12.873 2.146 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.755 11.450 1.123 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.332 12.368 5.420 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.572 13.232 6.564 1.00 0.00 C ATOM 1861 C ALA B 55 -4.926 12.884 7.186 1.00 0.00 C ATOM 1862 O ALA B 55 -5.424 13.611 8.044 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.491 14.695 6.124 1.00 0.00 C ATOM 0 H ALA B 55 -3.905 12.575 4.602 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.810 13.078 7.328 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.671 15.343 6.982 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.500 14.898 5.717 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.244 14.887 5.360 1.00 0.00 H new ATOM 1869 N SER B 56 -5.482 11.772 6.729 1.00 0.00 N ATOM 1870 CA SER B 56 -6.769 11.318 7.229 1.00 0.00 C ATOM 1871 C SER B 56 -6.580 10.086 8.117 1.00 0.00 C ATOM 1872 O SER B 56 -5.733 9.239 7.837 1.00 0.00 O ATOM 1873 CB SER B 56 -7.727 11.003 6.080 1.00 0.00 C ATOM 1874 OG SER B 56 -8.953 10.442 6.544 1.00 0.00 O ATOM 0 H SER B 56 -5.065 11.172 6.018 1.00 0.00 H new ATOM 0 HA SER B 56 -7.208 12.121 7.821 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.935 11.915 5.521 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.249 10.308 5.390 1.00 0.00 H new ATOM 0 HG SER B 56 -9.547 10.279 5.782 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.405 10.023 9.196 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.337 8.909 10.126 1.00 0.00 C ATOM 1882 C PRO B 57 -7.972 7.654 9.525 1.00 0.00 C ATOM 1883 O PRO B 57 -7.506 6.541 9.766 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.051 9.396 11.376 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.894 10.583 10.940 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.420 11.008 9.559 1.00 0.00 C ATOM 0 HA PRO B 57 -6.313 8.616 10.357 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.675 8.609 11.801 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.336 9.687 12.146 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.950 10.313 10.915 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.792 11.405 11.649 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.241 11.013 8.842 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.006 12.016 9.575 1.00 0.00 H new ATOM 1894 N MET B 58 -9.027 7.874 8.754 1.00 0.00 N ATOM 1895 CA MET B 58 -9.731 6.775 8.117 1.00 0.00 C ATOM 1896 C MET B 58 -8.844 6.084 7.079 1.00 0.00 C ATOM 1897 O MET B 58 -9.007 4.895 6.811 1.00 0.00 O ATOM 1898 CB MET B 58 -10.996 7.304 7.437 1.00 0.00 C ATOM 1899 CG MET B 58 -12.142 6.297 7.552 1.00 0.00 C ATOM 1900 SD MET B 58 -13.306 6.837 8.793 1.00 0.00 S ATOM 1901 CE MET B 58 -12.371 6.482 10.271 1.00 0.00 C ATOM 0 H MET B 58 -9.411 8.798 8.556 1.00 0.00 H new ATOM 0 HA MET B 58 -9.997 6.046 8.883 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.290 8.249 7.893 1.00 0.00 H new ATOM 0 HB3 MET B 58 -10.790 7.508 6.386 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.645 6.194 6.590 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.749 5.314 7.813 1.00 0.00 H new ATOM 0 HE1 MET B 58 -13.010 6.609 11.145 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.008 5.455 10.234 1.00 0.00 H new ATOM 0 HE3 MET B 58 -11.524 7.165 10.338 1.00 0.00 H new ATOM 1911 N VAL B 59 -7.925 6.860 6.523 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.012 6.337 5.520 1.00 0.00 C ATOM 1913 C VAL B 59 -6.038 5.361 6.183 1.00 0.00 C ATOM 1914 O VAL B 59 -5.354 4.601 5.499 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.307 7.491 4.803 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -4.959 7.041 4.235 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.196 8.079 3.705 1.00 0.00 C ATOM 0 H VAL B 59 -7.793 7.846 6.748 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.559 5.783 4.757 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.117 8.275 5.536 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.479 7.879 3.731 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.321 6.692 5.046 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.116 6.231 3.523 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -6.671 8.897 3.211 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.431 7.305 2.974 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.119 8.454 4.146 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.006 5.413 7.506 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.127 4.543 8.269 1.00 0.00 C ATOM 1929 C LYS B 60 -5.919 3.329 8.759 1.00 0.00 C ATOM 1930 O LYS B 60 -5.388 2.488 9.483 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.442 5.324 9.392 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.128 6.755 8.951 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.014 6.775 7.902 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.721 7.345 8.487 1.00 0.00 C ATOM 1935 NZ LYS B 60 -0.658 6.315 8.495 1.00 0.00 N ATOM 0 H LYS B 60 -6.575 6.044 8.070 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.322 4.166 7.638 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.086 5.343 10.271 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.521 4.819 9.682 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.026 7.218 8.542 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.829 7.348 9.815 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -2.837 5.764 7.535 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.326 7.374 7.047 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.398 8.205 7.901 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.899 7.700 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.353 6.139 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.025 5.434 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.152 6.648 7.934 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.176 3.276 8.344 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.046 2.178 8.732 1.00 0.00 C ATOM 1951 C LYS B 61 -8.480 1.411 7.481 1.00 0.00 C ATOM 1952 O LYS B 61 -8.978 0.290 7.578 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.215 2.693 9.574 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.715 3.353 10.861 1.00 0.00 C ATOM 1955 CD LYS B 61 -9.507 2.859 12.073 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.033 3.547 13.355 1.00 0.00 C ATOM 1957 NZ LYS B 61 -9.591 2.867 14.545 1.00 0.00 N ATOM 0 H LYS B 61 -7.613 3.975 7.743 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.511 1.474 9.369 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -9.796 3.411 8.995 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -9.882 1.867 9.820 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.656 3.133 10.999 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.807 4.436 10.778 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.569 3.054 11.922 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.392 1.780 12.172 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -7.944 3.535 13.400 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -9.341 4.593 13.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.259 3.347 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -10.630 2.900 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -9.276 1.876 14.558 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.276 2.045 6.336 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.640 1.437 5.068 1.00 0.00 C ATOM 1973 C ILE B 62 -7.433 0.684 4.503 1.00 0.00 C ATOM 1974 O ILE B 62 -7.579 -0.147 3.608 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.212 2.487 4.114 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.418 3.193 4.735 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.546 1.869 2.754 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.541 4.627 4.216 1.00 0.00 C ATOM 0 H ILE B 62 -7.863 2.974 6.260 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.435 0.705 5.211 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.448 3.246 3.943 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.328 2.639 4.503 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.319 3.203 5.820 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -9.951 2.637 2.095 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -8.641 1.452 2.312 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.284 1.078 2.885 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.407 5.106 4.673 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.640 5.185 4.471 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.664 4.613 3.133 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.269 1.003 5.050 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.038 0.367 4.612 1.00 0.00 C ATOM 1992 C ILE B 63 -4.719 -0.808 5.537 1.00 0.00 C ATOM 1993 O ILE B 63 -4.531 -1.933 5.076 1.00 0.00 O ATOM 1994 CB ILE B 63 -3.910 1.396 4.513 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.169 2.386 3.375 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.550 0.708 4.376 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.425 3.702 3.613 1.00 0.00 C ATOM 0 H ILE B 63 -6.152 1.693 5.792 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.156 -0.041 3.608 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.889 1.969 5.440 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.850 1.949 2.429 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.239 2.579 3.292 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.766 1.462 4.308 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.372 0.077 5.247 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.542 0.094 3.476 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.626 4.388 2.790 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.764 4.148 4.548 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.354 3.509 3.671 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.666 -0.508 6.827 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.373 -1.526 7.821 1.00 0.00 C ATOM 2011 C GLU B 64 -5.398 -2.659 7.739 1.00 0.00 C ATOM 2012 O GLU B 64 -5.063 -3.821 7.967 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.333 -0.923 9.227 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.202 0.099 9.354 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.472 1.076 10.500 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.371 0.766 11.311 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -2.772 2.111 10.539 1.00 0.00 O ATOM 0 H GLU B 64 -4.821 0.426 7.206 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.387 -1.939 7.610 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.287 -0.444 9.448 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.196 -1.716 9.963 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.258 -0.418 9.527 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.098 0.649 8.419 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.625 -2.282 7.412 1.00 0.00 N ATOM 2025 CA LYS B 65 -7.700 -3.252 7.297 1.00 0.00 C ATOM 2026 C LYS B 65 -7.514 -4.064 6.014 1.00 0.00 C ATOM 2027 O LYS B 65 -7.917 -5.224 5.945 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.061 -2.558 7.393 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.423 -1.876 6.073 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.853 -1.334 6.110 1.00 0.00 C ATOM 2031 CE LYS B 65 -11.870 -2.474 6.192 1.00 0.00 C ATOM 2032 NZ LYS B 65 -12.427 -2.573 7.560 1.00 0.00 N ATOM 0 H LYS B 65 -6.899 -1.318 7.223 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.667 -3.956 8.128 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.828 -3.288 7.651 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.041 -1.819 8.194 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.726 -1.061 5.878 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -9.321 -2.586 5.253 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -10.973 -0.673 6.968 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.042 -0.737 5.218 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -12.675 -2.304 5.477 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -11.393 -3.415 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -12.760 -3.543 7.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -11.690 -2.334 8.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -13.223 -1.911 7.659 1.00 0.00 H new ATOM 2046 N MET B 66 -6.902 -3.422 5.029 1.00 0.00 N ATOM 2047 CA MET B 66 -6.657 -4.071 3.752 1.00 0.00 C ATOM 2048 C MET B 66 -5.661 -5.222 3.904 1.00 0.00 C ATOM 2049 O MET B 66 -5.822 -6.272 3.285 1.00 0.00 O ATOM 2050 CB MET B 66 -6.107 -3.047 2.757 1.00 0.00 C ATOM 2051 CG MET B 66 -7.085 -2.826 1.601 1.00 0.00 C ATOM 2052 SD MET B 66 -7.210 -4.308 0.615 1.00 0.00 S ATOM 2053 CE MET B 66 -5.502 -4.508 0.138 1.00 0.00 C ATOM 0 H MET B 66 -6.569 -2.460 5.090 1.00 0.00 H new ATOM 0 HA MET B 66 -7.599 -4.478 3.385 1.00 0.00 H new ATOM 0 HB2 MET B 66 -5.922 -2.102 3.267 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.149 -3.392 2.367 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.066 -2.555 1.991 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.747 -1.995 0.982 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.451 -4.897 -0.879 1.00 0.00 H new ATOM 0 HE2 MET B 66 -4.996 -3.543 0.183 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.013 -5.206 0.818 1.00 0.00 H new ATOM 2063 N LEU B 67 -4.653 -4.985 4.731 1.00 0.00 N ATOM 2064 CA LEU B 67 -3.631 -5.989 4.972 1.00 0.00 C ATOM 2065 C LEU B 67 -4.235 -7.143 5.774 1.00 0.00 C ATOM 2066 O LEU B 67 -3.653 -8.225 5.847 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.404 -5.357 5.632 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.470 -4.577 4.704 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.231 -3.479 3.958 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.271 -4.021 5.474 1.00 0.00 C ATOM 0 H LEU B 67 -4.522 -4.112 5.242 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.277 -6.406 4.029 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.745 -4.685 6.420 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.828 -6.147 6.114 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.080 -5.265 3.954 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.545 -2.940 3.305 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.024 -3.928 3.359 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -2.668 -2.786 4.677 1.00 0.00 H new ATOM 0 HD21 LEU B 67 0.377 -3.471 4.791 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -0.622 -3.352 6.260 1.00 0.00 H new ATOM 0 HD23 LEU B 67 0.288 -4.843 5.921 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.394 -6.874 6.357 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.083 -7.877 7.151 1.00 0.00 C ATOM 2084 C LYS B 68 -7.237 -8.463 6.335 1.00 0.00 C ATOM 2085 O LYS B 68 -7.637 -9.606 6.552 1.00 0.00 O ATOM 2086 CB LYS B 68 -6.517 -7.290 8.496 1.00 0.00 C ATOM 2087 CG LYS B 68 -7.653 -8.109 9.111 1.00 0.00 C ATOM 2088 CD LYS B 68 -7.509 -8.191 10.632 1.00 0.00 C ATOM 2089 CE LYS B 68 -8.684 -7.506 11.332 1.00 0.00 C ATOM 2090 NZ LYS B 68 -8.292 -6.158 11.802 1.00 0.00 N ATOM 0 H LYS B 68 -5.873 -5.976 6.295 1.00 0.00 H new ATOM 0 HA LYS B 68 -5.411 -8.701 7.391 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -5.668 -7.270 9.179 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -6.841 -6.258 8.359 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -8.611 -7.656 8.857 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -7.653 -9.113 8.687 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.456 -9.235 10.940 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -6.575 -7.721 10.938 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -9.528 -7.428 10.647 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -9.014 -8.110 12.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -9.101 -5.706 12.275 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -7.501 -6.240 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -7.999 -5.579 10.990 1.00 0.00 H new ATOM 2104 N ASN B 69 -7.739 -7.654 5.413 1.00 0.00 N ATOM 2105 CA ASN B 69 -8.839 -8.079 4.564 1.00 0.00 C ATOM 2106 C ASN B 69 -10.065 -8.369 5.431 1.00 0.00 C ATOM 2107 O ASN B 69 -10.984 -7.555 5.505 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.485 -9.358 3.803 1.00 0.00 C ATOM 2109 CG ASN B 69 -9.711 -9.927 3.086 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.395 -10.809 3.578 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -9.949 -9.374 1.900 1.00 0.00 N ATOM 0 H ASN B 69 -7.404 -6.707 5.236 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.043 -7.280 3.851 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -7.700 -9.148 3.077 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.088 -10.100 4.496 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.745 -9.685 1.343 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.336 -8.639 1.548 1.00 0.00 H new