USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 HIS : no HD1:sc= 0.233 K(o=-2.6,f=-6.1) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -156:sc= -2.79! (180deg=-4.9!) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.9 K(o=-1.9,f=-4.3!) USER MOD Set 2.2: A 54 SER OG : rot 105:sc= 1 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.204) USER MOD Single : A 13 THR OG1 : rot 54:sc= -0.342 USER MOD Single : A 20 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.97) USER MOD Single : A 25 THR OG1 : rot -101:sc= -0.47! USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.03 USER MOD Single : A 27 ASN : amide:sc= -4.28! C(o=-4.3!,f=-3.5!) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.354 (180deg=-1.49!) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.239 (180deg=-1.14) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -110:sc= -0.258 USER MOD Single : A 56 TYR OH : rot -116:sc= 0.374! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -42:sc= 0.0991 USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= 0.229 (180deg=-1.08!) USER MOD Single : A 76 THR OG1 : rot 102:sc= -4.05! USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= 0.141 (180deg=0.0663) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.98! C(o=-9!,f=-3.4!) USER MOD Single : A 95 MET CE :methyl 158:sc= -0.858 (180deg=-2.45) USER MOD Single : A 98 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-6.2!) USER MOD Single : A 103 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.584 -7.823 -13.172 1.00 0.00 N ATOM 60 CA PRO A 5 -16.208 -8.145 -11.767 1.00 0.00 C ATOM 61 C PRO A 5 -17.080 -7.394 -10.764 1.00 0.00 C ATOM 62 O PRO A 5 -18.017 -7.958 -10.204 1.00 0.00 O ATOM 63 CB PRO A 5 -14.729 -7.719 -11.664 1.00 0.00 C ATOM 64 CG PRO A 5 -14.212 -7.745 -13.070 1.00 0.00 C ATOM 65 CD PRO A 5 -15.407 -7.471 -13.988 1.00 0.00 C ATOM 0 HA PRO A 5 -16.353 -9.199 -11.532 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.636 -6.724 -11.229 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -14.167 -8.400 -11.025 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.437 -6.992 -13.210 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.763 -8.712 -13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.437 -6.427 -14.300 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.358 -8.073 -14.895 1.00 0.00 H new ATOM 73 N ARG A 6 -16.763 -6.113 -10.569 1.00 0.00 N ATOM 74 CA ARG A 6 -17.486 -5.256 -9.649 1.00 0.00 C ATOM 75 C ARG A 6 -17.454 -3.835 -10.190 1.00 0.00 C ATOM 76 O ARG A 6 -18.487 -3.248 -10.510 1.00 0.00 O ATOM 77 CB ARG A 6 -16.809 -5.290 -8.267 1.00 0.00 C ATOM 78 CG ARG A 6 -17.282 -6.517 -7.454 1.00 0.00 C ATOM 79 CD ARG A 6 -16.135 -7.023 -6.578 1.00 0.00 C ATOM 80 NE ARG A 6 -15.082 -7.563 -7.435 1.00 0.00 N ATOM 81 CZ ARG A 6 -13.806 -7.545 -7.065 1.00 0.00 C ATOM 82 NH1 ARG A 6 -13.467 -7.045 -5.911 1.00 0.00 N ATOM 83 NH2 ARG A 6 -12.887 -8.028 -7.859 1.00 0.00 N ATOM 0 H ARG A 6 -15.994 -5.646 -11.050 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.515 -5.601 -9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.726 -5.324 -8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.040 -4.375 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.136 -6.247 -6.833 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.614 -7.307 -8.128 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.742 -6.211 -5.966 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.495 -7.792 -5.894 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.332 -7.963 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.182 -6.666 -5.289 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.487 -7.032 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.149 -8.419 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.908 -8.014 -7.574 1.00 0.00 H new ATOM 97 N LYS A 7 -16.238 -3.314 -10.302 1.00 0.00 N ATOM 98 CA LYS A 7 -16.012 -1.985 -10.822 1.00 0.00 C ATOM 99 C LYS A 7 -14.513 -1.708 -10.865 1.00 0.00 C ATOM 100 O LYS A 7 -13.903 -1.397 -9.858 1.00 0.00 O ATOM 101 CB LYS A 7 -16.738 -0.935 -9.955 1.00 0.00 C ATOM 102 CG LYS A 7 -16.369 0.495 -10.389 1.00 0.00 C ATOM 103 CD LYS A 7 -17.093 0.860 -11.695 1.00 0.00 C ATOM 104 CE LYS A 7 -16.421 2.074 -12.330 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.485 3.225 -11.387 1.00 0.00 N ATOM 0 H LYS A 7 -15.386 -3.806 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.415 -1.920 -11.833 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.816 -1.076 -10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -16.475 -1.079 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -16.641 1.202 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -15.291 0.573 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -17.069 0.016 -12.384 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.142 1.076 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.383 1.844 -12.571 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.917 2.329 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.249 4.102 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.445 3.299 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.805 3.078 -10.614 1.00 0.00 H new ATOM 119 N ARG A 8 -13.931 -1.824 -12.043 1.00 0.00 N ATOM 120 CA ARG A 8 -12.509 -1.584 -12.221 1.00 0.00 C ATOM 121 C ARG A 8 -12.199 -0.094 -12.269 1.00 0.00 C ATOM 122 O ARG A 8 -12.729 0.633 -13.109 1.00 0.00 O ATOM 123 CB ARG A 8 -12.018 -2.251 -13.513 1.00 0.00 C ATOM 124 CG ARG A 8 -10.518 -2.001 -13.703 1.00 0.00 C ATOM 125 CD ARG A 8 -10.017 -2.815 -14.899 1.00 0.00 C ATOM 126 NE ARG A 8 -10.104 -4.242 -14.612 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.885 -5.148 -15.560 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.595 -4.767 -16.775 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.961 -6.420 -15.277 1.00 0.00 N ATOM 0 H ARG A 8 -14.424 -2.085 -12.897 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.990 -2.016 -11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.213 -3.323 -13.474 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.570 -1.857 -14.366 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.332 -0.940 -13.868 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.973 -2.284 -12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.610 -2.578 -15.783 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.985 -2.545 -15.125 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.337 -4.550 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.536 -3.773 -16.998 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.427 -5.463 -17.501 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.188 -6.719 -14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.793 -7.115 -16.004 1.00 0.00 H new ATOM 143 N VAL A 9 -11.327 0.359 -11.364 1.00 0.00 N ATOM 144 CA VAL A 9 -10.947 1.783 -11.318 1.00 0.00 C ATOM 145 C VAL A 9 -9.509 1.973 -11.780 1.00 0.00 C ATOM 146 O VAL A 9 -8.598 1.289 -11.315 1.00 0.00 O ATOM 147 CB VAL A 9 -11.051 2.324 -9.888 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.190 3.853 -9.884 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.254 1.700 -9.174 1.00 0.00 C ATOM 0 H VAL A 9 -10.874 -0.225 -10.661 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.629 2.320 -11.977 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.135 2.057 -9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.262 4.209 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.318 4.299 -10.362 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.089 4.138 -10.430 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.318 2.092 -8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.167 1.946 -9.716 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.134 0.617 -9.138 1.00 0.00 H new ATOM 159 N ALA A 10 -9.312 2.929 -12.667 1.00 0.00 N ATOM 160 CA ALA A 10 -7.980 3.241 -13.162 1.00 0.00 C ATOM 161 C ALA A 10 -7.377 4.353 -12.307 1.00 0.00 C ATOM 162 O ALA A 10 -7.471 5.531 -12.657 1.00 0.00 O ATOM 163 CB ALA A 10 -8.057 3.702 -14.620 1.00 0.00 C ATOM 0 H ALA A 10 -10.056 3.505 -13.061 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.355 2.349 -13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.055 3.933 -14.982 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.489 2.909 -15.230 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.682 4.593 -14.687 1.00 0.00 H new ATOM 169 N LEU A 11 -6.784 3.987 -11.165 1.00 0.00 N ATOM 170 CA LEU A 11 -6.210 4.994 -10.259 1.00 0.00 C ATOM 171 C LEU A 11 -4.701 5.130 -10.471 1.00 0.00 C ATOM 172 O LEU A 11 -3.941 4.200 -10.219 1.00 0.00 O ATOM 173 CB LEU A 11 -6.496 4.565 -8.812 1.00 0.00 C ATOM 174 CG LEU A 11 -6.502 5.792 -7.870 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.793 5.365 -6.413 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.141 6.500 -7.925 1.00 0.00 C ATOM 0 H LEU A 11 -6.689 3.022 -10.849 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.664 5.963 -10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.459 4.057 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.741 3.851 -8.483 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.287 6.472 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.792 6.244 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.768 4.880 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.024 4.669 -6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.153 7.363 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.359 5.809 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.944 6.831 -8.945 1.00 0.00 H new ATOM 188 N PHE A 12 -4.272 6.302 -10.935 1.00 0.00 N ATOM 189 CA PHE A 12 -2.853 6.548 -11.176 1.00 0.00 C ATOM 190 C PHE A 12 -2.246 7.269 -9.982 1.00 0.00 C ATOM 191 O PHE A 12 -2.453 8.467 -9.797 1.00 0.00 O ATOM 192 CB PHE A 12 -2.676 7.430 -12.414 1.00 0.00 C ATOM 193 CG PHE A 12 -3.610 6.962 -13.507 1.00 0.00 C ATOM 194 CD1 PHE A 12 -3.192 5.985 -14.419 1.00 0.00 C ATOM 195 CD2 PHE A 12 -4.895 7.510 -13.610 1.00 0.00 C ATOM 196 CE1 PHE A 12 -4.060 5.553 -15.431 1.00 0.00 C ATOM 197 CE2 PHE A 12 -5.763 7.078 -14.621 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.345 6.101 -15.532 1.00 0.00 C ATOM 0 H PHE A 12 -4.882 7.091 -11.150 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.356 5.590 -11.329 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.884 8.470 -12.165 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.643 7.386 -12.760 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.200 5.564 -14.342 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.217 8.266 -12.909 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.738 4.798 -16.133 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.755 7.499 -14.698 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.013 5.770 -16.313 1.00 0.00 H new ATOM 208 N THR A 13 -1.489 6.542 -9.186 1.00 0.00 N ATOM 209 CA THR A 13 -0.849 7.142 -8.021 1.00 0.00 C ATOM 210 C THR A 13 0.120 8.221 -8.497 1.00 0.00 C ATOM 211 O THR A 13 1.322 7.985 -8.631 1.00 0.00 O ATOM 212 CB THR A 13 -0.113 6.052 -7.199 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.146 4.829 -7.920 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.798 5.856 -5.842 1.00 0.00 C ATOM 0 H THR A 13 -1.300 5.548 -9.316 1.00 0.00 H new ATOM 0 HA THR A 13 -1.598 7.597 -7.373 1.00 0.00 H new ATOM 0 HB THR A 13 0.918 6.364 -7.033 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.207 4.972 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.271 5.088 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.779 6.794 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.832 5.547 -5.997 1.00 0.00 H new ATOM 222 N ASP A 14 -0.422 9.405 -8.768 1.00 0.00 N ATOM 223 CA ASP A 14 0.377 10.527 -9.255 1.00 0.00 C ATOM 224 C ASP A 14 0.418 11.653 -8.222 1.00 0.00 C ATOM 225 O ASP A 14 0.121 12.803 -8.540 1.00 0.00 O ATOM 226 CB ASP A 14 -0.229 11.043 -10.564 1.00 0.00 C ATOM 227 CG ASP A 14 -1.561 11.734 -10.293 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.239 11.328 -9.364 1.00 0.00 O ATOM 229 OD2 ASP A 14 -1.884 12.658 -11.022 1.00 0.00 O ATOM 0 H ASP A 14 -1.414 9.613 -8.658 1.00 0.00 H new ATOM 0 HA ASP A 14 1.398 10.186 -9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.460 11.740 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.376 10.214 -11.257 1.00 0.00 H new ATOM 234 N GLY A 15 0.784 11.303 -6.986 1.00 0.00 N ATOM 235 CA GLY A 15 0.863 12.275 -5.891 1.00 0.00 C ATOM 236 C GLY A 15 1.259 13.662 -6.394 1.00 0.00 C ATOM 237 O GLY A 15 0.401 14.466 -6.758 1.00 0.00 O ATOM 0 H GLY A 15 1.031 10.351 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.101 12.333 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.590 11.934 -5.154 1.00 0.00 H new ATOM 241 N ALA A 16 2.562 13.930 -6.420 1.00 0.00 N ATOM 242 CA ALA A 16 3.062 15.219 -6.891 1.00 0.00 C ATOM 243 C ALA A 16 4.588 15.235 -6.864 1.00 0.00 C ATOM 244 O ALA A 16 5.236 15.484 -7.881 1.00 0.00 O ATOM 245 CB ALA A 16 2.520 16.351 -6.015 1.00 0.00 C ATOM 0 H ALA A 16 3.287 13.277 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 16 2.721 15.368 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.901 17.306 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.431 16.355 -6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.842 16.200 -4.985 1.00 0.00 H new ATOM 251 N ALA A 17 5.152 14.963 -5.692 1.00 0.00 N ATOM 252 CA ALA A 17 6.604 14.942 -5.529 1.00 0.00 C ATOM 253 C ALA A 17 7.164 16.359 -5.447 1.00 0.00 C ATOM 254 O ALA A 17 7.563 16.944 -6.451 1.00 0.00 O ATOM 255 CB ALA A 17 7.250 14.170 -6.693 1.00 0.00 C ATOM 0 H ALA A 17 4.629 14.754 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 17 6.842 14.435 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.332 14.158 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.875 13.147 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.001 14.658 -7.636 1.00 0.00 H new ATOM 261 N LEU A 18 7.184 16.894 -4.233 1.00 0.00 N ATOM 262 CA LEU A 18 7.684 18.242 -3.996 1.00 0.00 C ATOM 263 C LEU A 18 7.638 18.583 -2.515 1.00 0.00 C ATOM 264 O LEU A 18 7.827 19.734 -2.125 1.00 0.00 O ATOM 265 CB LEU A 18 6.843 19.261 -4.780 1.00 0.00 C ATOM 266 CG LEU A 18 5.331 19.078 -4.477 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.907 19.857 -3.217 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.508 19.581 -5.669 1.00 0.00 C ATOM 0 H LEU A 18 6.859 16.413 -3.394 1.00 0.00 H new ATOM 0 HA LEU A 18 8.719 18.284 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.151 20.273 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.021 19.141 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 18 5.151 18.017 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.843 19.705 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.476 19.498 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.102 20.919 -3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.446 19.453 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.720 20.637 -5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.772 19.011 -6.560 1.00 0.00 H new ATOM 280 N GLY A 19 7.351 17.582 -1.698 1.00 0.00 N ATOM 281 CA GLY A 19 7.236 17.783 -0.268 1.00 0.00 C ATOM 282 C GLY A 19 8.400 18.602 0.254 1.00 0.00 C ATOM 283 O GLY A 19 9.499 18.555 -0.298 1.00 0.00 O ATOM 0 H GLY A 19 7.194 16.622 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.298 18.290 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.208 16.818 0.239 1.00 0.00 H new ATOM 287 N ASN A 20 8.162 19.329 1.340 1.00 0.00 N ATOM 288 CA ASN A 20 9.224 20.134 1.950 1.00 0.00 C ATOM 289 C ASN A 20 10.529 19.328 1.965 1.00 0.00 C ATOM 290 O ASN A 20 11.575 19.828 1.550 1.00 0.00 O ATOM 291 CB ASN A 20 8.829 20.575 3.386 1.00 0.00 C ATOM 292 CG ASN A 20 8.991 22.084 3.557 1.00 0.00 C ATOM 293 OD1 ASN A 20 9.871 22.687 2.944 1.00 0.00 O ATOM 294 ND2 ASN A 20 8.190 22.727 4.358 1.00 0.00 N ATOM 0 H ASN A 20 7.260 19.381 1.813 1.00 0.00 H new ATOM 0 HA ASN A 20 9.370 21.037 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.796 20.291 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.450 20.054 4.115 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.291 23.735 4.479 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.462 22.223 4.864 1.00 0.00 H new ATOM 301 N PRO A 21 10.480 18.084 2.390 1.00 0.00 N ATOM 302 CA PRO A 21 11.675 17.195 2.396 1.00 0.00 C ATOM 303 C PRO A 21 12.162 16.982 0.976 1.00 0.00 C ATOM 304 O PRO A 21 13.332 17.190 0.654 1.00 0.00 O ATOM 305 CB PRO A 21 11.147 15.872 2.994 1.00 0.00 C ATOM 306 CG PRO A 21 9.923 16.262 3.741 1.00 0.00 C ATOM 307 CD PRO A 21 9.304 17.373 2.908 1.00 0.00 C ATOM 0 HA PRO A 21 12.514 17.603 2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.921 15.146 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.884 15.412 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.239 15.420 3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 21 10.165 16.608 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.683 16.978 2.104 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.670 18.024 3.509 1.00 0.00 H new ATOM 315 N GLY A 22 11.224 16.559 0.132 1.00 0.00 N ATOM 316 CA GLY A 22 11.507 16.295 -1.267 1.00 0.00 C ATOM 317 C GLY A 22 10.984 14.912 -1.667 1.00 0.00 C ATOM 318 O GLY A 22 10.661 14.094 -0.805 1.00 0.00 O ATOM 0 H GLY A 22 10.254 16.392 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.042 17.060 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.581 16.349 -1.444 1.00 0.00 H new ATOM 322 N PRO A 23 10.929 14.620 -2.943 1.00 0.00 N ATOM 323 CA PRO A 23 10.469 13.290 -3.447 1.00 0.00 C ATOM 324 C PRO A 23 11.189 12.135 -2.760 1.00 0.00 C ATOM 325 O PRO A 23 10.795 10.978 -2.885 1.00 0.00 O ATOM 326 CB PRO A 23 10.855 13.338 -4.922 1.00 0.00 C ATOM 327 CG PRO A 23 10.801 14.768 -5.294 1.00 0.00 C ATOM 328 CD PRO A 23 11.283 15.519 -4.061 1.00 0.00 C ATOM 0 HA PRO A 23 9.408 13.122 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.852 12.928 -5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.167 12.748 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.437 14.975 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.789 15.066 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.356 15.706 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.794 16.488 -3.966 1.00 0.00 H new ATOM 336 N GLY A 24 12.276 12.482 -2.086 1.00 0.00 N ATOM 337 CA GLY A 24 13.127 11.518 -1.393 1.00 0.00 C ATOM 338 C GLY A 24 12.348 10.364 -0.754 1.00 0.00 C ATOM 339 O GLY A 24 12.948 9.369 -0.377 1.00 0.00 O ATOM 0 H GLY A 24 12.597 13.447 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.851 11.110 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.694 12.036 -0.619 1.00 0.00 H new ATOM 343 N THR A 25 11.025 10.498 -0.659 1.00 0.00 N ATOM 344 CA THR A 25 10.159 9.471 -0.105 1.00 0.00 C ATOM 345 C THR A 25 8.785 10.054 0.265 1.00 0.00 C ATOM 346 O THR A 25 7.912 9.327 0.743 1.00 0.00 O ATOM 347 CB THR A 25 10.804 8.817 1.130 1.00 0.00 C ATOM 348 OG1 THR A 25 11.824 9.658 1.652 1.00 0.00 O ATOM 349 CG2 THR A 25 11.391 7.441 0.776 1.00 0.00 C ATOM 0 H THR A 25 10.525 11.332 -0.969 1.00 0.00 H new ATOM 0 HA THR A 25 10.019 8.707 -0.870 1.00 0.00 H new ATOM 0 HB THR A 25 10.031 8.679 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.700 9.326 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.841 6.998 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.597 6.790 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.151 7.558 0.004 1.00 0.00 H new ATOM 357 N THR A 26 8.587 11.351 0.043 1.00 0.00 N ATOM 358 CA THR A 26 7.319 11.968 0.346 1.00 0.00 C ATOM 359 C THR A 26 6.318 11.658 -0.753 1.00 0.00 C ATOM 360 O THR A 26 5.150 11.432 -0.492 1.00 0.00 O ATOM 361 CB THR A 26 7.482 13.471 0.493 1.00 0.00 C ATOM 362 OG1 THR A 26 8.189 13.985 -0.626 1.00 0.00 O ATOM 363 CG2 THR A 26 8.256 13.779 1.773 1.00 0.00 C ATOM 0 H THR A 26 9.289 11.983 -0.343 1.00 0.00 H new ATOM 0 HA THR A 26 6.950 11.565 1.289 1.00 0.00 H new ATOM 0 HB THR A 26 6.498 13.938 0.544 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.147 14.011 -0.423 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.372 14.858 1.877 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.710 13.388 2.631 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.239 13.311 1.725 1.00 0.00 H new ATOM 371 N ASN A 27 6.799 11.633 -1.982 1.00 0.00 N ATOM 372 CA ASN A 27 5.950 11.340 -3.126 1.00 0.00 C ATOM 373 C ASN A 27 5.338 9.968 -2.954 1.00 0.00 C ATOM 374 O ASN A 27 4.138 9.771 -3.137 1.00 0.00 O ATOM 375 CB ASN A 27 6.782 11.342 -4.406 1.00 0.00 C ATOM 376 CG ASN A 27 5.875 11.188 -5.624 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.360 11.077 -6.751 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.581 11.174 -5.462 1.00 0.00 N ATOM 0 H ASN A 27 7.775 11.812 -2.216 1.00 0.00 H new ATOM 0 HA ASN A 27 5.170 12.099 -3.193 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.347 12.271 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.507 10.529 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.967 11.071 -6.270 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.183 11.266 -4.527 1.00 0.00 H new ATOM 385 N ASN A 28 6.184 9.029 -2.577 1.00 0.00 N ATOM 386 CA ASN A 28 5.749 7.661 -2.353 1.00 0.00 C ATOM 387 C ASN A 28 4.745 7.640 -1.207 1.00 0.00 C ATOM 388 O ASN A 28 3.716 6.970 -1.279 1.00 0.00 O ATOM 389 CB ASN A 28 6.948 6.786 -2.001 1.00 0.00 C ATOM 390 CG ASN A 28 8.043 6.949 -3.052 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.152 6.143 -3.973 1.00 0.00 O ATOM 392 ND2 ASN A 28 8.865 7.959 -2.969 1.00 0.00 N ATOM 0 H ASN A 28 7.179 9.187 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 28 5.283 7.274 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.332 7.060 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.641 5.742 -1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.598 8.079 -3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.775 8.628 -2.205 1.00 0.00 H new ATOM 399 N ARG A 29 5.043 8.412 -0.163 1.00 0.00 N ATOM 400 CA ARG A 29 4.171 8.524 0.976 1.00 0.00 C ATOM 401 C ARG A 29 2.884 9.213 0.554 1.00 0.00 C ATOM 402 O ARG A 29 1.798 8.846 0.996 1.00 0.00 O ATOM 403 CB ARG A 29 4.887 9.311 2.063 1.00 0.00 C ATOM 404 CG ARG A 29 4.009 9.458 3.283 1.00 0.00 C ATOM 405 CD ARG A 29 4.753 10.274 4.340 1.00 0.00 C ATOM 406 NE ARG A 29 3.888 10.495 5.484 1.00 0.00 N ATOM 407 CZ ARG A 29 4.356 11.006 6.621 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.622 11.310 6.729 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.551 11.206 7.630 1.00 0.00 N ATOM 0 H ARG A 29 5.894 8.970 -0.095 1.00 0.00 H new ATOM 0 HA ARG A 29 3.917 7.539 1.367 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.813 8.805 2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.161 10.296 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.074 9.951 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.749 8.477 3.680 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.656 9.748 4.651 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.069 11.229 3.920 1.00 0.00 H new ATOM 0 HE ARG A 29 2.899 10.253 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.252 11.156 5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.980 11.701 7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.562 10.971 7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.911 11.598 8.500 1.00 0.00 H new ATOM 423 N MET A 30 3.019 10.219 -0.308 1.00 0.00 N ATOM 424 CA MET A 30 1.864 10.948 -0.797 1.00 0.00 C ATOM 425 C MET A 30 1.011 10.034 -1.655 1.00 0.00 C ATOM 426 O MET A 30 -0.213 10.012 -1.535 1.00 0.00 O ATOM 427 CB MET A 30 2.354 12.150 -1.604 1.00 0.00 C ATOM 428 CG MET A 30 3.048 13.155 -0.666 1.00 0.00 C ATOM 429 SD MET A 30 1.894 14.476 -0.196 1.00 0.00 S ATOM 430 CE MET A 30 1.640 15.204 -1.833 1.00 0.00 C ATOM 0 H MET A 30 3.913 10.542 -0.677 1.00 0.00 H new ATOM 0 HA MET A 30 1.254 11.299 0.036 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.047 11.822 -2.379 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.515 12.628 -2.109 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.408 12.642 0.226 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.920 13.583 -1.161 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.556 16.287 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.486 14.960 -2.475 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.725 14.805 -2.271 1.00 0.00 H new ATOM 440 N GLU A 31 1.676 9.246 -2.490 1.00 0.00 N ATOM 441 CA GLU A 31 0.978 8.291 -3.331 1.00 0.00 C ATOM 442 C GLU A 31 0.359 7.232 -2.436 1.00 0.00 C ATOM 443 O GLU A 31 -0.711 6.696 -2.727 1.00 0.00 O ATOM 444 CB GLU A 31 1.948 7.646 -4.325 1.00 0.00 C ATOM 445 CG GLU A 31 2.295 8.652 -5.422 1.00 0.00 C ATOM 446 CD GLU A 31 3.348 8.070 -6.360 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.700 6.915 -6.180 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.789 8.787 -7.243 1.00 0.00 O ATOM 0 H GLU A 31 2.690 9.251 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 31 0.201 8.798 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.854 7.326 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.498 6.755 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.398 8.909 -5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.666 9.574 -4.975 1.00 0.00 H new ATOM 455 N LEU A 32 1.041 6.954 -1.326 1.00 0.00 N ATOM 456 CA LEU A 32 0.563 5.992 -0.367 1.00 0.00 C ATOM 457 C LEU A 32 -0.597 6.599 0.402 1.00 0.00 C ATOM 458 O LEU A 32 -1.579 5.925 0.697 1.00 0.00 O ATOM 459 CB LEU A 32 1.696 5.628 0.595 1.00 0.00 C ATOM 460 CG LEU A 32 1.282 4.444 1.488 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.436 3.114 0.741 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.152 4.394 2.757 1.00 0.00 C ATOM 0 H LEU A 32 1.929 7.390 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 32 0.228 5.089 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.592 5.370 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.946 6.489 1.215 1.00 0.00 H new ATOM 0 HG LEU A 32 0.237 4.591 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.137 2.294 1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.804 3.120 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.477 2.981 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.845 3.551 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.199 4.276 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.030 5.320 3.319 1.00 0.00 H new ATOM 474 N LYS A 33 -0.463 7.885 0.720 1.00 0.00 N ATOM 475 CA LYS A 33 -1.497 8.597 1.455 1.00 0.00 C ATOM 476 C LYS A 33 -2.787 8.633 0.649 1.00 0.00 C ATOM 477 O LYS A 33 -3.868 8.342 1.165 1.00 0.00 O ATOM 478 CB LYS A 33 -1.020 10.026 1.735 1.00 0.00 C ATOM 479 CG LYS A 33 -2.102 10.822 2.506 1.00 0.00 C ATOM 480 CD LYS A 33 -2.816 11.802 1.564 1.00 0.00 C ATOM 481 CE LYS A 33 -3.671 12.760 2.380 1.00 0.00 C ATOM 482 NZ LYS A 33 -2.803 13.528 3.318 1.00 0.00 N ATOM 0 H LYS A 33 0.351 8.451 0.479 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.689 8.082 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.098 10.000 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.791 10.529 0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.826 10.135 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.643 11.368 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.084 12.359 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.439 11.254 0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.203 13.443 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.425 12.205 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.220 14.465 3.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.726 13.014 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.857 13.641 2.902 1.00 0.00 H new ATOM 496 N ALA A 34 -2.657 8.977 -0.623 1.00 0.00 N ATOM 497 CA ALA A 34 -3.810 9.035 -1.508 1.00 0.00 C ATOM 498 C ALA A 34 -4.392 7.640 -1.693 1.00 0.00 C ATOM 499 O ALA A 34 -5.589 7.480 -1.929 1.00 0.00 O ATOM 500 CB ALA A 34 -3.406 9.611 -2.865 1.00 0.00 C ATOM 0 H ALA A 34 -1.770 9.219 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.564 9.682 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.278 9.649 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.010 10.617 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.642 8.978 -3.316 1.00 0.00 H new ATOM 506 N ALA A 35 -3.531 6.634 -1.586 1.00 0.00 N ATOM 507 CA ALA A 35 -3.966 5.254 -1.742 1.00 0.00 C ATOM 508 C ALA A 35 -4.922 4.869 -0.622 1.00 0.00 C ATOM 509 O ALA A 35 -6.062 4.492 -0.878 1.00 0.00 O ATOM 510 CB ALA A 35 -2.758 4.313 -1.735 1.00 0.00 C ATOM 0 H ALA A 35 -2.536 6.748 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.484 5.163 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.098 3.284 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.091 4.571 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.224 4.413 -0.790 1.00 0.00 H new ATOM 516 N ILE A 36 -4.470 4.983 0.624 1.00 0.00 N ATOM 517 CA ILE A 36 -5.330 4.638 1.746 1.00 0.00 C ATOM 518 C ILE A 36 -6.639 5.413 1.616 1.00 0.00 C ATOM 519 O ILE A 36 -7.714 4.871 1.861 1.00 0.00 O ATOM 520 CB ILE A 36 -4.605 4.900 3.108 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.239 6.057 3.901 1.00 0.00 C ATOM 522 CG2 ILE A 36 -3.138 5.248 2.869 1.00 0.00 C ATOM 523 CD1 ILE A 36 -6.640 5.679 4.403 1.00 0.00 C ATOM 0 H ILE A 36 -3.535 5.304 0.877 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.560 3.573 1.730 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.702 3.981 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.603 6.314 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.302 6.943 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.646 5.428 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.646 4.420 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.072 6.145 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.065 6.514 4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.281 5.447 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.570 4.807 5.054 1.00 0.00 H new ATOM 535 N GLU A 37 -6.534 6.676 1.217 1.00 0.00 N ATOM 536 CA GLU A 37 -7.717 7.511 1.036 1.00 0.00 C ATOM 537 C GLU A 37 -8.494 7.064 -0.198 1.00 0.00 C ATOM 538 O GLU A 37 -9.723 7.142 -0.233 1.00 0.00 O ATOM 539 CB GLU A 37 -7.320 8.988 0.885 1.00 0.00 C ATOM 540 CG GLU A 37 -6.817 9.551 2.218 1.00 0.00 C ATOM 541 CD GLU A 37 -7.946 9.571 3.245 1.00 0.00 C ATOM 542 OE1 GLU A 37 -9.094 9.559 2.833 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.645 9.599 4.427 1.00 0.00 O ATOM 0 H GLU A 37 -5.649 7.142 1.014 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.347 7.403 1.919 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.543 9.085 0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.177 9.567 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.991 8.944 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.431 10.560 2.072 1.00 0.00 H new ATOM 550 N GLY A 38 -7.765 6.616 -1.217 1.00 0.00 N ATOM 551 CA GLY A 38 -8.394 6.179 -2.458 1.00 0.00 C ATOM 552 C GLY A 38 -9.046 4.807 -2.320 1.00 0.00 C ATOM 553 O GLY A 38 -9.688 4.326 -3.252 1.00 0.00 O ATOM 0 H GLY A 38 -6.747 6.547 -1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.146 6.908 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.646 6.146 -3.251 1.00 0.00 H new ATOM 557 N LEU A 39 -8.869 4.169 -1.164 1.00 0.00 N ATOM 558 CA LEU A 39 -9.441 2.846 -0.922 1.00 0.00 C ATOM 559 C LEU A 39 -10.307 2.884 0.330 1.00 0.00 C ATOM 560 O LEU A 39 -11.124 1.992 0.565 1.00 0.00 O ATOM 561 CB LEU A 39 -8.323 1.807 -0.735 1.00 0.00 C ATOM 562 CG LEU A 39 -7.188 1.976 -1.794 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.817 1.707 -1.160 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.379 0.985 -2.949 1.00 0.00 C ATOM 0 H LEU A 39 -8.335 4.546 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.049 2.565 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.903 1.902 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.743 0.804 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.234 2.999 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.038 1.829 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.648 2.411 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.789 0.689 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.579 1.117 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.353 -0.034 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.341 1.167 -3.429 1.00 0.00 H new ATOM 576 N LYS A 40 -10.118 3.927 1.130 1.00 0.00 N ATOM 577 CA LYS A 40 -10.870 4.103 2.361 1.00 0.00 C ATOM 578 C LYS A 40 -12.010 5.084 2.121 1.00 0.00 C ATOM 579 O LYS A 40 -12.992 5.122 2.861 1.00 0.00 O ATOM 580 CB LYS A 40 -9.924 4.653 3.439 1.00 0.00 C ATOM 581 CG LYS A 40 -10.663 4.855 4.790 1.00 0.00 C ATOM 582 CD LYS A 40 -10.350 6.251 5.334 1.00 0.00 C ATOM 583 CE LYS A 40 -11.084 6.466 6.657 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.756 7.819 7.189 1.00 0.00 N ATOM 0 H LYS A 40 -9.443 4.669 0.943 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.286 3.150 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.089 3.966 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.504 5.602 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.738 4.739 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.351 4.095 5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.276 6.362 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.653 7.009 4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.160 6.372 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.793 5.700 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.254 7.968 8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.730 7.892 7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.054 8.543 6.504 1.00 0.00 H new ATOM 598 N ALA A 41 -11.882 5.881 1.067 1.00 0.00 N ATOM 599 CA ALA A 41 -12.922 6.861 0.747 1.00 0.00 C ATOM 600 C ALA A 41 -13.984 6.247 -0.149 1.00 0.00 C ATOM 601 O ALA A 41 -14.866 6.942 -0.651 1.00 0.00 O ATOM 602 CB ALA A 41 -12.309 8.084 0.069 1.00 0.00 C ATOM 0 H ALA A 41 -11.087 5.873 0.428 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.394 7.172 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.094 8.803 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.581 8.544 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.813 7.779 -0.852 1.00 0.00 H new ATOM 608 N LEU A 42 -13.884 4.937 -0.350 1.00 0.00 N ATOM 609 CA LEU A 42 -14.833 4.213 -1.202 1.00 0.00 C ATOM 610 C LEU A 42 -15.562 3.123 -0.427 1.00 0.00 C ATOM 611 O LEU A 42 -16.787 3.141 -0.339 1.00 0.00 O ATOM 612 CB LEU A 42 -14.067 3.582 -2.386 1.00 0.00 C ATOM 613 CG LEU A 42 -13.944 4.596 -3.571 1.00 0.00 C ATOM 614 CD1 LEU A 42 -12.514 4.594 -4.111 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.909 4.229 -4.718 1.00 0.00 C ATOM 0 H LEU A 42 -13.158 4.352 0.063 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.579 4.920 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -13.073 3.275 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.584 2.683 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.202 5.585 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.436 5.302 -4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.825 4.883 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.260 3.595 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.802 4.950 -5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.672 3.231 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.935 4.246 -4.350 1.00 0.00 H new ATOM 627 N LYS A 43 -14.797 2.163 0.086 1.00 0.00 N ATOM 628 CA LYS A 43 -15.350 1.034 0.820 1.00 0.00 C ATOM 629 C LYS A 43 -16.230 0.212 -0.095 1.00 0.00 C ATOM 630 O LYS A 43 -17.042 -0.595 0.354 1.00 0.00 O ATOM 631 CB LYS A 43 -16.142 1.532 2.035 1.00 0.00 C ATOM 632 CG LYS A 43 -15.170 1.973 3.154 1.00 0.00 C ATOM 633 CD LYS A 43 -15.753 3.161 3.927 1.00 0.00 C ATOM 634 CE LYS A 43 -14.831 3.507 5.092 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.367 4.695 5.813 1.00 0.00 N ATOM 0 H LYS A 43 -13.780 2.148 0.004 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.536 0.404 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.780 2.367 1.746 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.797 0.742 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.987 1.142 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.208 2.248 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.861 4.021 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.749 2.916 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.754 2.659 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.826 3.714 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.739 4.931 6.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.419 5.503 5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.318 4.481 6.175 1.00 0.00 H new ATOM 649 N GLU A 44 -16.046 0.430 -1.391 1.00 0.00 N ATOM 650 CA GLU A 44 -16.804 -0.283 -2.407 1.00 0.00 C ATOM 651 C GLU A 44 -15.904 -1.335 -3.076 1.00 0.00 C ATOM 652 O GLU A 44 -15.103 -0.991 -3.947 1.00 0.00 O ATOM 653 CB GLU A 44 -17.311 0.721 -3.460 1.00 0.00 C ATOM 654 CG GLU A 44 -18.696 1.245 -3.061 1.00 0.00 C ATOM 655 CD GLU A 44 -19.747 0.160 -3.275 1.00 0.00 C ATOM 656 OE1 GLU A 44 -20.092 -0.088 -4.419 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.193 -0.409 -2.290 1.00 0.00 O ATOM 0 H GLU A 44 -15.373 1.100 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.656 -0.784 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.611 1.552 -3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.362 0.241 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.689 1.555 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.945 2.126 -3.653 1.00 0.00 H new ATOM 664 N PRO A 45 -15.996 -2.592 -2.695 1.00 0.00 N ATOM 665 CA PRO A 45 -15.144 -3.660 -3.291 1.00 0.00 C ATOM 666 C PRO A 45 -15.019 -3.504 -4.803 1.00 0.00 C ATOM 667 O PRO A 45 -15.945 -3.827 -5.549 1.00 0.00 O ATOM 668 CB PRO A 45 -15.879 -4.946 -2.910 1.00 0.00 C ATOM 669 CG PRO A 45 -16.541 -4.627 -1.608 1.00 0.00 C ATOM 670 CD PRO A 45 -16.909 -3.140 -1.672 1.00 0.00 C ATOM 0 HA PRO A 45 -14.116 -3.637 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.610 -5.225 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.188 -5.783 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.429 -5.242 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.872 -4.827 -0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.953 -2.998 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.768 -2.652 -0.708 1.00 0.00 H new ATOM 678 N ALA A 46 -13.876 -2.980 -5.248 1.00 0.00 N ATOM 679 CA ALA A 46 -13.649 -2.750 -6.682 1.00 0.00 C ATOM 680 C ALA A 46 -12.255 -3.181 -7.129 1.00 0.00 C ATOM 681 O ALA A 46 -11.316 -3.225 -6.334 1.00 0.00 O ATOM 682 CB ALA A 46 -13.878 -1.261 -6.971 1.00 0.00 C ATOM 0 H ALA A 46 -13.098 -2.708 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.350 -3.361 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.715 -1.067 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.901 -0.992 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.182 -0.665 -6.381 1.00 0.00 H new ATOM 688 N GLU A 47 -12.134 -3.483 -8.433 1.00 0.00 N ATOM 689 CA GLU A 47 -10.850 -3.893 -9.000 1.00 0.00 C ATOM 690 C GLU A 47 -10.056 -2.652 -9.391 1.00 0.00 C ATOM 691 O GLU A 47 -10.010 -2.266 -10.545 1.00 0.00 O ATOM 692 CB GLU A 47 -11.066 -4.783 -10.234 1.00 0.00 C ATOM 693 CG GLU A 47 -11.609 -6.155 -9.811 1.00 0.00 C ATOM 694 CD GLU A 47 -11.584 -7.111 -10.999 1.00 0.00 C ATOM 695 OE1 GLU A 47 -11.322 -6.651 -12.099 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.837 -8.287 -10.793 1.00 0.00 O ATOM 0 H GLU A 47 -12.903 -3.450 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.298 -4.465 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.765 -4.303 -10.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.126 -4.906 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.008 -6.558 -8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.627 -6.053 -9.436 1.00 0.00 H new ATOM 703 N VAL A 48 -9.438 -2.023 -8.418 1.00 0.00 N ATOM 704 CA VAL A 48 -8.679 -0.810 -8.668 1.00 0.00 C ATOM 705 C VAL A 48 -7.323 -1.120 -9.279 1.00 0.00 C ATOM 706 O VAL A 48 -6.413 -1.590 -8.597 1.00 0.00 O ATOM 707 CB VAL A 48 -8.454 -0.060 -7.341 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.226 1.449 -7.586 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.661 -0.273 -6.396 1.00 0.00 C ATOM 0 H VAL A 48 -9.443 -2.328 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.250 -0.199 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.558 -0.465 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.070 1.953 -6.632 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.348 1.587 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.099 1.873 -8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.490 0.262 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.566 0.106 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.778 -1.337 -6.189 1.00 0.00 H new ATOM 719 N ASP A 49 -7.187 -0.809 -10.550 1.00 0.00 N ATOM 720 CA ASP A 49 -5.919 -1.012 -11.226 1.00 0.00 C ATOM 721 C ASP A 49 -4.988 0.131 -10.857 1.00 0.00 C ATOM 722 O ASP A 49 -4.711 1.015 -11.666 1.00 0.00 O ATOM 723 CB ASP A 49 -6.121 -1.067 -12.743 1.00 0.00 C ATOM 724 CG ASP A 49 -4.826 -1.482 -13.433 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.771 -1.200 -12.888 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.907 -2.072 -14.498 1.00 0.00 O ATOM 0 H ASP A 49 -7.928 -0.419 -11.133 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.483 -1.961 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.914 -1.775 -12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.441 -0.092 -13.110 1.00 0.00 H new ATOM 731 N LEU A 50 -4.541 0.114 -9.605 1.00 0.00 N ATOM 732 CA LEU A 50 -3.682 1.161 -9.090 1.00 0.00 C ATOM 733 C LEU A 50 -2.305 1.121 -9.740 1.00 0.00 C ATOM 734 O LEU A 50 -1.509 0.218 -9.475 1.00 0.00 O ATOM 735 CB LEU A 50 -3.546 0.985 -7.567 1.00 0.00 C ATOM 736 CG LEU A 50 -3.065 2.294 -6.894 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.522 2.341 -5.427 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.533 2.399 -6.943 1.00 0.00 C ATOM 0 H LEU A 50 -4.763 -0.618 -8.931 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.129 2.128 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.506 0.687 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.841 0.182 -7.352 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.501 3.130 -7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.176 3.267 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.610 2.299 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.104 1.491 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.216 3.326 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.093 1.551 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.201 2.395 -7.981 1.00 0.00 H new ATOM 750 N TYR A 51 -2.016 2.120 -10.579 1.00 0.00 N ATOM 751 CA TYR A 51 -0.710 2.186 -11.235 1.00 0.00 C ATOM 752 C TYR A 51 0.246 3.016 -10.377 1.00 0.00 C ATOM 753 O TYR A 51 0.090 4.233 -10.271 1.00 0.00 O ATOM 754 CB TYR A 51 -0.817 2.822 -12.629 1.00 0.00 C ATOM 755 CG TYR A 51 -2.056 2.337 -13.346 1.00 0.00 C ATOM 756 CD1 TYR A 51 -3.276 2.995 -13.159 1.00 0.00 C ATOM 757 CD2 TYR A 51 -1.981 1.244 -14.217 1.00 0.00 C ATOM 758 CE1 TYR A 51 -4.414 2.557 -13.837 1.00 0.00 C ATOM 759 CE2 TYR A 51 -3.123 0.803 -14.892 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.342 1.459 -14.701 1.00 0.00 C ATOM 761 OH TYR A 51 -5.471 1.028 -15.370 1.00 0.00 O ATOM 0 H TYR A 51 -2.655 2.879 -10.816 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.334 1.169 -11.349 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.846 3.908 -12.537 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.068 2.575 -13.215 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.337 3.841 -12.491 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.038 0.740 -14.368 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.355 3.068 -13.694 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.063 -0.043 -15.560 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.245 0.255 -15.929 1.00 0.00 H new ATOM 771 N THR A 52 1.224 2.356 -9.750 1.00 0.00 N ATOM 772 CA THR A 52 2.184 3.050 -8.881 1.00 0.00 C ATOM 773 C THR A 52 3.610 2.875 -9.384 1.00 0.00 C ATOM 774 O THR A 52 4.138 1.769 -9.414 1.00 0.00 O ATOM 775 CB THR A 52 2.084 2.491 -7.455 1.00 0.00 C ATOM 776 OG1 THR A 52 3.032 3.152 -6.630 1.00 0.00 O ATOM 777 CG2 THR A 52 2.369 0.982 -7.449 1.00 0.00 C ATOM 0 H THR A 52 1.373 1.350 -9.826 1.00 0.00 H new ATOM 0 HA THR A 52 1.940 4.112 -8.889 1.00 0.00 H new ATOM 0 HB THR A 52 1.075 2.659 -7.077 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.746 2.527 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.294 0.602 -6.430 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.642 0.472 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.373 0.800 -7.831 1.00 0.00 H new ATOM 785 N ASP A 53 4.240 3.982 -9.761 1.00 0.00 N ATOM 786 CA ASP A 53 5.619 3.944 -10.249 1.00 0.00 C ATOM 787 C ASP A 53 6.573 4.351 -9.132 1.00 0.00 C ATOM 788 O ASP A 53 7.533 5.088 -9.357 1.00 0.00 O ATOM 789 CB ASP A 53 5.776 4.897 -11.439 1.00 0.00 C ATOM 790 CG ASP A 53 5.743 6.351 -10.970 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.266 6.589 -9.872 1.00 0.00 O ATOM 792 OD2 ASP A 53 6.199 7.204 -11.715 1.00 0.00 O ATOM 0 H ASP A 53 3.823 4.913 -9.740 1.00 0.00 H new ATOM 0 HA ASP A 53 5.856 2.930 -10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.717 4.696 -11.952 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.977 4.723 -12.159 1.00 0.00 H new ATOM 797 N SER A 54 6.298 3.862 -7.925 1.00 0.00 N ATOM 798 CA SER A 54 7.134 4.171 -6.762 1.00 0.00 C ATOM 799 C SER A 54 8.067 3.006 -6.438 1.00 0.00 C ATOM 800 O SER A 54 7.774 1.853 -6.752 1.00 0.00 O ATOM 801 CB SER A 54 6.256 4.490 -5.554 1.00 0.00 C ATOM 802 OG SER A 54 5.792 5.831 -5.655 1.00 0.00 O ATOM 0 H SER A 54 5.506 3.252 -7.725 1.00 0.00 H new ATOM 0 HA SER A 54 7.743 5.043 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.411 3.802 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.822 4.357 -4.632 1.00 0.00 H new ATOM 0 HG SER A 54 4.848 5.832 -5.917 1.00 0.00 H new ATOM 808 N HIS A 55 9.198 3.329 -5.811 1.00 0.00 N ATOM 809 CA HIS A 55 10.191 2.319 -5.447 1.00 0.00 C ATOM 810 C HIS A 55 9.993 1.834 -4.018 1.00 0.00 C ATOM 811 O HIS A 55 10.827 1.102 -3.484 1.00 0.00 O ATOM 812 CB HIS A 55 11.599 2.910 -5.597 1.00 0.00 C ATOM 813 CG HIS A 55 11.965 2.985 -7.053 1.00 0.00 C ATOM 814 ND1 HIS A 55 12.282 1.857 -7.793 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.068 4.044 -7.920 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.558 2.259 -9.047 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.442 3.583 -9.179 1.00 0.00 N ATOM 0 H HIS A 55 9.449 4.281 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 55 10.069 1.466 -6.114 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.636 3.904 -5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.321 2.294 -5.062 1.00 0.00 H new ATOM 0 HD2 HIS A 55 11.887 5.077 -7.664 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.839 1.592 -9.849 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.595 4.137 -10.022 1.00 0.00 H new ATOM 825 N TYR A 56 8.893 2.245 -3.403 1.00 0.00 N ATOM 826 CA TYR A 56 8.590 1.847 -2.023 1.00 0.00 C ATOM 827 C TYR A 56 7.349 0.967 -1.985 1.00 0.00 C ATOM 828 O TYR A 56 7.337 -0.086 -1.346 1.00 0.00 O ATOM 829 CB TYR A 56 8.369 3.100 -1.166 1.00 0.00 C ATOM 830 CG TYR A 56 7.982 2.750 0.269 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.674 1.759 0.999 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.924 3.441 0.887 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.303 1.465 2.310 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.562 3.141 2.206 1.00 0.00 C ATOM 835 CZ TYR A 56 7.251 2.155 2.915 1.00 0.00 C ATOM 836 OH TYR A 56 6.894 1.862 4.215 1.00 0.00 O ATOM 0 H TYR A 56 8.194 2.852 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 56 9.430 1.278 -1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.279 3.700 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.586 3.712 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.494 1.227 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.389 4.205 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.831 0.700 2.860 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.748 3.673 2.676 1.00 0.00 H new ATOM 0 HH TYR A 56 5.982 1.503 4.231 1.00 0.00 H new ATOM 846 N LEU A 57 6.309 1.408 -2.679 1.00 0.00 N ATOM 847 CA LEU A 57 5.068 0.666 -2.735 1.00 0.00 C ATOM 848 C LEU A 57 5.274 -0.676 -3.433 1.00 0.00 C ATOM 849 O LEU A 57 4.790 -1.725 -2.979 1.00 0.00 O ATOM 850 CB LEU A 57 4.029 1.488 -3.507 1.00 0.00 C ATOM 851 CG LEU A 57 3.478 2.629 -2.632 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.600 3.633 -2.318 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.353 3.342 -3.390 1.00 0.00 C ATOM 0 H LEU A 57 6.305 2.279 -3.211 1.00 0.00 H new ATOM 0 HA LEU A 57 4.721 0.479 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.482 1.901 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.212 0.842 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 57 3.094 2.219 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.205 4.438 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.403 3.126 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.988 4.048 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.957 4.152 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.744 3.750 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.556 2.632 -3.611 1.00 0.00 H new ATOM 865 N LYS A 58 6.011 -0.631 -4.534 1.00 0.00 N ATOM 866 CA LYS A 58 6.293 -1.828 -5.306 1.00 0.00 C ATOM 867 C LYS A 58 7.277 -2.701 -4.550 1.00 0.00 C ATOM 868 O LYS A 58 6.994 -3.852 -4.233 1.00 0.00 O ATOM 869 CB LYS A 58 6.885 -1.414 -6.660 1.00 0.00 C ATOM 870 CG LYS A 58 7.256 -2.649 -7.497 1.00 0.00 C ATOM 871 CD LYS A 58 8.160 -2.221 -8.649 1.00 0.00 C ATOM 872 CE LYS A 58 8.435 -3.423 -9.556 1.00 0.00 C ATOM 873 NZ LYS A 58 9.376 -3.025 -10.641 1.00 0.00 N ATOM 0 H LYS A 58 6.423 0.222 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 58 5.376 -2.394 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.165 -0.803 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.770 -0.798 -6.501 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.764 -3.386 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.355 -3.125 -7.884 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.686 -1.422 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.097 -1.823 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.860 -4.241 -8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.502 -3.788 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.562 -3.842 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.954 -2.258 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.270 -2.697 -10.222 1.00 0.00 H new ATOM 887 N LYS A 59 8.434 -2.131 -4.268 1.00 0.00 N ATOM 888 CA LYS A 59 9.486 -2.830 -3.558 1.00 0.00 C ATOM 889 C LYS A 59 8.921 -3.644 -2.397 1.00 0.00 C ATOM 890 O LYS A 59 9.320 -4.784 -2.179 1.00 0.00 O ATOM 891 CB LYS A 59 10.456 -1.779 -3.027 1.00 0.00 C ATOM 892 CG LYS A 59 11.623 -2.428 -2.272 1.00 0.00 C ATOM 893 CD LYS A 59 12.396 -1.332 -1.506 1.00 0.00 C ATOM 894 CE LYS A 59 11.944 -1.308 -0.040 1.00 0.00 C ATOM 895 NZ LYS A 59 12.639 -0.203 0.677 1.00 0.00 N ATOM 0 H LYS A 59 8.669 -1.172 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 59 9.987 -3.525 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.842 -1.185 -3.856 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.927 -1.095 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.250 -3.181 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.286 -2.939 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.468 -1.522 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.220 -0.360 -1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.864 -1.170 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.168 -2.262 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.332 -0.187 1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.667 -0.354 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.403 0.705 0.227 1.00 0.00 H new ATOM 909 N ALA A 60 8.012 -3.047 -1.638 1.00 0.00 N ATOM 910 CA ALA A 60 7.430 -3.729 -0.486 1.00 0.00 C ATOM 911 C ALA A 60 6.560 -4.915 -0.902 1.00 0.00 C ATOM 912 O ALA A 60 6.837 -6.057 -0.536 1.00 0.00 O ATOM 913 CB ALA A 60 6.587 -2.747 0.328 1.00 0.00 C ATOM 0 H ALA A 60 7.663 -2.101 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 60 8.254 -4.110 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.156 -3.262 1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.217 -1.928 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.787 -2.350 -0.297 1.00 0.00 H new ATOM 919 N PHE A 61 5.494 -4.636 -1.642 1.00 0.00 N ATOM 920 CA PHE A 61 4.572 -5.679 -2.070 1.00 0.00 C ATOM 921 C PHE A 61 5.244 -6.697 -3.005 1.00 0.00 C ATOM 922 O PHE A 61 4.880 -7.873 -3.004 1.00 0.00 O ATOM 923 CB PHE A 61 3.361 -5.026 -2.766 1.00 0.00 C ATOM 924 CG PHE A 61 2.298 -4.685 -1.737 1.00 0.00 C ATOM 925 CD1 PHE A 61 2.641 -3.900 -0.630 1.00 0.00 C ATOM 926 CD2 PHE A 61 0.981 -5.166 -1.873 1.00 0.00 C ATOM 927 CE1 PHE A 61 1.679 -3.590 0.335 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.022 -4.851 -0.905 1.00 0.00 C ATOM 929 CZ PHE A 61 0.371 -4.066 0.199 1.00 0.00 C ATOM 0 H PHE A 61 5.247 -3.698 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 61 4.244 -6.229 -1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.675 -4.124 -3.291 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.951 -5.704 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.651 -3.533 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.713 -5.776 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.946 -2.982 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.990 -5.214 -1.010 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.370 -3.827 0.947 1.00 0.00 H new ATOM 939 N THR A 62 6.196 -6.246 -3.820 1.00 0.00 N ATOM 940 CA THR A 62 6.868 -7.147 -4.762 1.00 0.00 C ATOM 941 C THR A 62 7.932 -8.001 -4.076 1.00 0.00 C ATOM 942 O THR A 62 8.312 -9.052 -4.593 1.00 0.00 O ATOM 943 CB THR A 62 7.505 -6.352 -5.905 1.00 0.00 C ATOM 944 OG1 THR A 62 8.372 -5.362 -5.371 1.00 0.00 O ATOM 945 CG2 THR A 62 6.415 -5.685 -6.748 1.00 0.00 C ATOM 0 H THR A 62 6.517 -5.278 -3.850 1.00 0.00 H new ATOM 0 HA THR A 62 6.106 -7.815 -5.163 1.00 0.00 H new ATOM 0 HB THR A 62 8.077 -7.031 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.946 -4.937 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.876 -5.121 -7.559 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.759 -6.449 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.833 -5.009 -6.121 1.00 0.00 H new ATOM 953 N GLU A 63 8.400 -7.570 -2.908 1.00 0.00 N ATOM 954 CA GLU A 63 9.403 -8.345 -2.174 1.00 0.00 C ATOM 955 C GLU A 63 8.719 -9.460 -1.393 1.00 0.00 C ATOM 956 O GLU A 63 9.375 -10.281 -0.752 1.00 0.00 O ATOM 957 CB GLU A 63 10.206 -7.436 -1.232 1.00 0.00 C ATOM 958 CG GLU A 63 11.335 -6.749 -2.010 1.00 0.00 C ATOM 959 CD GLU A 63 11.988 -5.678 -1.145 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.315 -5.159 -0.269 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.150 -5.386 -1.375 1.00 0.00 O ATOM 0 H GLU A 63 8.109 -6.704 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 63 10.099 -8.788 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.550 -6.687 -0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.621 -8.022 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.079 -7.486 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.939 -6.301 -2.921 1.00 0.00 H new ATOM 968 N GLY A 64 7.395 -9.485 -1.474 1.00 0.00 N ATOM 969 CA GLY A 64 6.608 -10.505 -0.798 1.00 0.00 C ATOM 970 C GLY A 64 6.997 -10.661 0.668 1.00 0.00 C ATOM 971 O GLY A 64 6.500 -11.557 1.349 1.00 0.00 O ATOM 0 H GLY A 64 6.844 -8.809 -2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.551 -10.249 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.738 -11.459 -1.309 1.00 0.00 H new ATOM 975 N TRP A 65 7.877 -9.794 1.165 1.00 0.00 N ATOM 976 CA TRP A 65 8.287 -9.880 2.564 1.00 0.00 C ATOM 977 C TRP A 65 7.248 -9.218 3.457 1.00 0.00 C ATOM 978 O TRP A 65 7.449 -9.058 4.661 1.00 0.00 O ATOM 979 CB TRP A 65 9.694 -9.284 2.775 1.00 0.00 C ATOM 980 CG TRP A 65 9.770 -7.784 2.589 1.00 0.00 C ATOM 981 CD1 TRP A 65 8.739 -6.902 2.445 1.00 0.00 C ATOM 982 CD2 TRP A 65 10.982 -6.972 2.528 1.00 0.00 C ATOM 983 NE1 TRP A 65 9.248 -5.630 2.334 1.00 0.00 N ATOM 984 CE2 TRP A 65 10.615 -5.618 2.369 1.00 0.00 C ATOM 985 CE3 TRP A 65 12.354 -7.276 2.601 1.00 0.00 C ATOM 986 CZ2 TRP A 65 11.562 -4.602 2.285 1.00 0.00 C ATOM 987 CZ3 TRP A 65 13.316 -6.255 2.514 1.00 0.00 C ATOM 988 CH2 TRP A 65 12.919 -4.919 2.357 1.00 0.00 C ATOM 0 H TRP A 65 8.312 -9.040 0.633 1.00 0.00 H new ATOM 0 HA TRP A 65 8.348 -10.932 2.844 1.00 0.00 H new ATOM 0 HB2 TRP A 65 10.033 -9.531 3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 65 10.385 -9.760 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 65 7.691 -7.162 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 65 8.673 -4.793 2.237 1.00 0.00 H new ATOM 0 HE3 TRP A 65 12.670 -8.301 2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.249 -3.575 2.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 14.366 -6.500 2.568 1.00 0.00 H new ATOM 0 HH2 TRP A 65 13.662 -4.138 2.292 1.00 0.00 H new ATOM 999 N LEU A 66 6.138 -8.821 2.836 1.00 0.00 N ATOM 1000 CA LEU A 66 5.054 -8.173 3.558 1.00 0.00 C ATOM 1001 C LEU A 66 4.489 -9.165 4.567 1.00 0.00 C ATOM 1002 O LEU A 66 4.176 -8.842 5.704 1.00 0.00 O ATOM 1003 CB LEU A 66 3.970 -7.717 2.566 1.00 0.00 C ATOM 1004 CG LEU A 66 3.056 -6.631 3.196 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.479 -5.726 2.102 1.00 0.00 C ATOM 1006 CD2 LEU A 66 1.898 -7.287 3.963 1.00 0.00 C ATOM 0 H LEU A 66 5.970 -8.938 1.837 1.00 0.00 H new ATOM 0 HA LEU A 66 5.418 -7.291 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.440 -7.323 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.367 -8.573 2.263 1.00 0.00 H new ATOM 0 HG LEU A 66 3.657 -6.037 3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.840 -4.969 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.293 -5.239 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.893 -6.325 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.266 -6.513 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.307 -7.896 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.298 -7.918 4.756 1.00 0.00 H new ATOM 1018 N GLU A 67 4.396 -10.406 4.157 1.00 0.00 N ATOM 1019 CA GLU A 67 3.923 -11.430 5.055 1.00 0.00 C ATOM 1020 C GLU A 67 4.816 -11.403 6.286 1.00 0.00 C ATOM 1021 O GLU A 67 4.342 -11.393 7.429 1.00 0.00 O ATOM 1022 CB GLU A 67 3.969 -12.782 4.323 1.00 0.00 C ATOM 1023 CG GLU A 67 4.036 -13.942 5.311 1.00 0.00 C ATOM 1024 CD GLU A 67 2.753 -14.022 6.128 1.00 0.00 C ATOM 1025 OE1 GLU A 67 1.808 -13.332 5.782 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.734 -14.770 7.092 1.00 0.00 O ATOM 0 H GLU A 67 4.638 -10.729 3.220 1.00 0.00 H new ATOM 0 HA GLU A 67 2.893 -11.265 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.086 -12.888 3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.836 -12.812 3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.190 -14.877 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.890 -13.812 5.976 1.00 0.00 H new ATOM 1033 N GLY A 68 6.116 -11.369 6.035 1.00 0.00 N ATOM 1034 CA GLY A 68 7.069 -11.317 7.118 1.00 0.00 C ATOM 1035 C GLY A 68 6.745 -10.116 7.990 1.00 0.00 C ATOM 1036 O GLY A 68 6.707 -10.218 9.209 1.00 0.00 O ATOM 0 H GLY A 68 6.525 -11.377 5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.025 -12.234 7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.083 -11.238 6.726 1.00 0.00 H new ATOM 1040 N TRP A 69 6.471 -8.975 7.347 1.00 0.00 N ATOM 1041 CA TRP A 69 6.135 -7.760 8.082 1.00 0.00 C ATOM 1042 C TRP A 69 5.202 -8.100 9.240 1.00 0.00 C ATOM 1043 O TRP A 69 5.497 -7.798 10.385 1.00 0.00 O ATOM 1044 CB TRP A 69 5.469 -6.712 7.165 1.00 0.00 C ATOM 1045 CG TRP A 69 6.488 -5.827 6.518 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.788 -6.140 6.286 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.293 -4.484 6.008 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.401 -5.060 5.677 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.518 -4.016 5.482 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.179 -3.632 5.959 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.634 -2.743 4.921 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.286 -2.354 5.398 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.513 -1.906 4.877 1.00 0.00 C ATOM 0 H TRP A 69 6.476 -8.872 6.332 1.00 0.00 H new ATOM 0 HA TRP A 69 7.060 -7.331 8.467 1.00 0.00 H new ATOM 0 HB2 TRP A 69 4.884 -7.218 6.397 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.775 -6.106 7.747 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.265 -7.077 6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.384 -5.037 5.405 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.232 -3.965 6.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.581 -2.407 4.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.421 -1.708 5.365 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.590 -0.919 4.444 1.00 0.00 H new ATOM 1064 N ARG A 70 4.090 -8.755 8.928 1.00 0.00 N ATOM 1065 CA ARG A 70 3.121 -9.132 9.957 1.00 0.00 C ATOM 1066 C ARG A 70 3.771 -9.970 11.045 1.00 0.00 C ATOM 1067 O ARG A 70 3.543 -9.749 12.234 1.00 0.00 O ATOM 1068 CB ARG A 70 1.986 -9.934 9.323 1.00 0.00 C ATOM 1069 CG ARG A 70 1.116 -9.013 8.464 1.00 0.00 C ATOM 1070 CD ARG A 70 0.107 -9.849 7.678 1.00 0.00 C ATOM 1071 NE ARG A 70 0.767 -10.521 6.564 1.00 0.00 N ATOM 1072 CZ ARG A 70 0.053 -10.978 5.529 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.242 -10.808 5.508 1.00 0.00 N ATOM 1074 NH2 ARG A 70 0.636 -11.590 4.533 1.00 0.00 N ATOM 0 H ARG A 70 3.836 -9.035 7.981 1.00 0.00 H new ATOM 0 HA ARG A 70 2.733 -8.218 10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.395 -10.738 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.380 -10.401 10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.594 -8.295 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.741 -8.440 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.355 -10.586 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.693 -9.210 7.304 1.00 0.00 H new ATOM 0 HE ARG A 70 1.780 -10.643 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.706 -10.328 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.789 -11.155 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.647 -11.724 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.080 -11.934 3.750 1.00 0.00 H new ATOM 1088 N LYS A 71 4.584 -10.929 10.634 1.00 0.00 N ATOM 1089 CA LYS A 71 5.267 -11.799 11.597 1.00 0.00 C ATOM 1090 C LYS A 71 6.518 -11.106 12.134 1.00 0.00 C ATOM 1091 O LYS A 71 7.208 -11.627 13.010 1.00 0.00 O ATOM 1092 CB LYS A 71 5.646 -13.133 10.934 1.00 0.00 C ATOM 1093 CG LYS A 71 4.444 -14.087 10.920 1.00 0.00 C ATOM 1094 CD LYS A 71 3.360 -13.544 9.979 1.00 0.00 C ATOM 1095 CE LYS A 71 2.231 -14.569 9.833 1.00 0.00 C ATOM 1096 NZ LYS A 71 1.194 -14.033 8.908 1.00 0.00 N ATOM 0 H LYS A 71 4.790 -11.129 9.655 1.00 0.00 H new ATOM 0 HA LYS A 71 4.591 -12.001 12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.988 -12.955 9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.475 -13.591 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.759 -15.078 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.043 -14.196 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.963 -12.607 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.791 -13.324 9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.626 -15.509 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.790 -14.783 10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.252 -14.169 9.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.360 -13.018 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.245 -14.537 8.000 1.00 0.00 H new ATOM 1110 N ARG A 72 6.805 -9.937 11.582 1.00 0.00 N ATOM 1111 CA ARG A 72 7.977 -9.155 11.970 1.00 0.00 C ATOM 1112 C ARG A 72 7.609 -8.051 12.947 1.00 0.00 C ATOM 1113 O ARG A 72 8.413 -7.161 13.221 1.00 0.00 O ATOM 1114 CB ARG A 72 8.570 -8.539 10.713 1.00 0.00 C ATOM 1115 CG ARG A 72 9.401 -9.582 9.962 1.00 0.00 C ATOM 1116 CD ARG A 72 9.879 -9.005 8.632 1.00 0.00 C ATOM 1117 NE ARG A 72 10.660 -10.000 7.908 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.421 -9.665 6.871 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.480 -8.422 6.479 1.00 0.00 N ATOM 1120 NH2 ARG A 72 12.106 -10.580 6.241 1.00 0.00 N ATOM 0 H ARG A 72 6.237 -9.502 10.855 1.00 0.00 H new ATOM 0 HA ARG A 72 8.695 -9.810 12.463 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.773 -8.165 10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.194 -7.685 10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.257 -9.882 10.567 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.805 -10.477 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.023 -8.696 8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.483 -8.115 8.809 1.00 0.00 H new ATOM 0 HE ARG A 72 10.622 -10.975 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.942 -7.707 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.064 -8.165 5.683 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.057 -11.553 6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.690 -10.322 5.445 1.00 0.00 H new ATOM 1134 N GLY A 73 6.390 -8.095 13.451 1.00 0.00 N ATOM 1135 CA GLY A 73 5.943 -7.072 14.390 1.00 0.00 C ATOM 1136 C GLY A 73 6.047 -5.696 13.751 1.00 0.00 C ATOM 1137 O GLY A 73 5.791 -4.681 14.397 1.00 0.00 O ATOM 0 H GLY A 73 5.699 -8.813 13.234 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.913 -7.266 14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.549 -7.108 15.295 1.00 0.00 H new ATOM 1141 N TRP A 74 6.413 -5.700 12.468 1.00 0.00 N ATOM 1142 CA TRP A 74 6.542 -4.494 11.656 1.00 0.00 C ATOM 1143 C TRP A 74 7.791 -3.684 11.962 1.00 0.00 C ATOM 1144 O TRP A 74 7.779 -2.731 12.739 1.00 0.00 O ATOM 1145 CB TRP A 74 5.257 -3.637 11.731 1.00 0.00 C ATOM 1146 CG TRP A 74 4.266 -4.249 10.807 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.987 -5.560 10.752 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.455 -3.614 9.795 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.106 -5.787 9.726 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.718 -4.612 9.119 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.297 -2.286 9.398 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 1.848 -4.299 8.077 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.425 -1.958 8.363 1.00 0.00 C ATOM 1154 CH2 TRP A 74 1.690 -2.968 7.693 1.00 0.00 C ATOM 0 H TRP A 74 6.631 -6.556 11.958 1.00 0.00 H new ATOM 0 HA TRP A 74 6.667 -4.827 10.626 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.870 -3.613 12.750 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.465 -2.606 11.444 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.391 -6.315 11.410 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.778 -6.712 9.446 1.00 0.00 H new ATOM 0 HE3 TRP A 74 3.855 -1.507 9.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.301 -5.081 7.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.308 -0.926 8.068 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.013 -2.709 6.892 1.00 0.00 H new ATOM 1165 N ARG A 75 8.859 -4.080 11.276 1.00 0.00 N ATOM 1166 CA ARG A 75 10.160 -3.425 11.361 1.00 0.00 C ATOM 1167 C ARG A 75 10.723 -3.332 9.948 1.00 0.00 C ATOM 1168 O ARG A 75 10.172 -3.926 9.022 1.00 0.00 O ATOM 1169 CB ARG A 75 11.131 -4.239 12.249 1.00 0.00 C ATOM 1170 CG ARG A 75 11.046 -3.796 13.722 1.00 0.00 C ATOM 1171 CD ARG A 75 9.847 -4.462 14.435 1.00 0.00 C ATOM 1172 NE ARG A 75 9.053 -3.444 15.108 1.00 0.00 N ATOM 1173 CZ ARG A 75 8.313 -3.735 16.174 1.00 0.00 C ATOM 1174 NH1 ARG A 75 8.277 -4.958 16.631 1.00 0.00 N ATOM 1175 NH2 ARG A 75 7.617 -2.799 16.761 1.00 0.00 N ATOM 0 H ARG A 75 8.845 -4.875 10.637 1.00 0.00 H new ATOM 0 HA ARG A 75 10.046 -2.437 11.806 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.895 -5.300 12.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.151 -4.112 11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.970 -4.057 14.237 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.947 -2.712 13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.232 -4.998 13.712 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.203 -5.197 15.157 1.00 0.00 H new ATOM 0 HE ARG A 75 9.065 -2.487 14.754 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.817 -5.691 16.170 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.709 -5.180 17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.641 -1.845 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.049 -3.022 17.579 1.00 0.00 H new ATOM 1189 N THR A 76 11.821 -2.605 9.773 1.00 0.00 N ATOM 1190 CA THR A 76 12.427 -2.488 8.453 1.00 0.00 C ATOM 1191 C THR A 76 13.430 -3.598 8.242 1.00 0.00 C ATOM 1192 O THR A 76 13.805 -4.306 9.178 1.00 0.00 O ATOM 1193 CB THR A 76 13.120 -1.147 8.283 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.168 -1.047 9.222 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.098 -0.020 8.464 1.00 0.00 C ATOM 0 H THR A 76 12.302 -2.096 10.514 1.00 0.00 H new ATOM 0 HA THR A 76 11.630 -2.565 7.713 1.00 0.00 H new ATOM 0 HB THR A 76 13.545 -1.062 7.283 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.024 -1.220 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.593 0.943 8.342 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.310 -0.120 7.717 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.662 -0.081 9.461 1.00 0.00 H new ATOM 1203 N ALA A 77 13.857 -3.746 7.006 1.00 0.00 N ATOM 1204 CA ALA A 77 14.813 -4.782 6.672 1.00 0.00 C ATOM 1205 C ALA A 77 16.062 -4.660 7.533 1.00 0.00 C ATOM 1206 O ALA A 77 16.902 -5.561 7.552 1.00 0.00 O ATOM 1207 CB ALA A 77 15.179 -4.700 5.182 1.00 0.00 C ATOM 0 H ALA A 77 13.560 -3.167 6.220 1.00 0.00 H new ATOM 0 HA ALA A 77 14.357 -5.752 6.870 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.898 -5.483 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.281 -4.834 4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.618 -3.725 4.968 1.00 0.00 H new ATOM 1213 N GLU A 78 16.179 -3.547 8.250 1.00 0.00 N ATOM 1214 CA GLU A 78 17.330 -3.326 9.119 1.00 0.00 C ATOM 1215 C GLU A 78 17.018 -3.785 10.537 1.00 0.00 C ATOM 1216 O GLU A 78 17.841 -4.426 11.190 1.00 0.00 O ATOM 1217 CB GLU A 78 17.697 -1.842 9.126 1.00 0.00 C ATOM 1218 CG GLU A 78 19.146 -1.671 9.568 1.00 0.00 C ATOM 1219 CD GLU A 78 19.530 -0.194 9.553 1.00 0.00 C ATOM 1220 OE1 GLU A 78 18.787 0.585 8.980 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.560 0.136 10.117 1.00 0.00 O ATOM 0 H GLU A 78 15.497 -2.789 8.247 1.00 0.00 H new ATOM 0 HA GLU A 78 18.172 -3.905 8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.558 -1.419 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.035 -1.297 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.279 -2.079 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.805 -2.232 8.905 1.00 0.00 H new ATOM 1228 N GLY A 79 15.818 -3.453 11.005 1.00 0.00 N ATOM 1229 CA GLY A 79 15.389 -3.835 12.351 1.00 0.00 C ATOM 1230 C GLY A 79 14.762 -2.663 13.084 1.00 0.00 C ATOM 1231 O GLY A 79 14.393 -2.773 14.252 1.00 0.00 O ATOM 0 H GLY A 79 15.126 -2.922 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.671 -4.653 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.244 -4.205 12.916 1.00 0.00 H new ATOM 1235 N LYS A 80 14.627 -1.542 12.386 1.00 0.00 N ATOM 1236 CA LYS A 80 14.023 -0.347 12.979 1.00 0.00 C ATOM 1237 C LYS A 80 12.552 -0.256 12.557 1.00 0.00 C ATOM 1238 O LYS A 80 12.190 -0.731 11.480 1.00 0.00 O ATOM 1239 CB LYS A 80 14.799 0.918 12.561 1.00 0.00 C ATOM 1240 CG LYS A 80 14.568 1.243 11.067 1.00 0.00 C ATOM 1241 CD LYS A 80 15.904 1.555 10.356 1.00 0.00 C ATOM 1242 CE LYS A 80 15.792 1.324 8.837 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.534 2.399 8.125 1.00 0.00 N ATOM 0 H LYS A 80 14.924 -1.432 11.416 1.00 0.00 H new ATOM 0 HA LYS A 80 14.073 -0.420 14.065 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.482 1.762 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.864 0.773 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.080 0.399 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.896 2.096 10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.189 2.589 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.693 0.924 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.200 0.348 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.745 1.325 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.286 2.382 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.279 3.323 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.557 2.245 8.232 1.00 0.00 H new ATOM 1257 N PRO A 81 11.698 0.323 13.367 1.00 0.00 N ATOM 1258 CA PRO A 81 10.253 0.434 13.032 1.00 0.00 C ATOM 1259 C PRO A 81 10.018 0.851 11.582 1.00 0.00 C ATOM 1260 O PRO A 81 10.887 1.433 10.935 1.00 0.00 O ATOM 1261 CB PRO A 81 9.722 1.503 13.998 1.00 0.00 C ATOM 1262 CG PRO A 81 10.681 1.531 15.156 1.00 0.00 C ATOM 1263 CD PRO A 81 12.007 0.918 14.675 1.00 0.00 C ATOM 0 HA PRO A 81 9.747 -0.526 13.134 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.670 2.477 13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.714 1.260 14.333 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.835 2.553 15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 81 10.281 0.966 15.998 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.785 1.677 14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.371 0.166 15.375 1.00 0.00 H new ATOM 1271 N VAL A 82 8.827 0.542 11.095 1.00 0.00 N ATOM 1272 CA VAL A 82 8.442 0.872 9.717 1.00 0.00 C ATOM 1273 C VAL A 82 7.852 2.278 9.667 1.00 0.00 C ATOM 1274 O VAL A 82 7.056 2.646 10.523 1.00 0.00 O ATOM 1275 CB VAL A 82 7.397 -0.146 9.188 1.00 0.00 C ATOM 1276 CG1 VAL A 82 7.616 -0.434 7.698 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.517 -1.457 9.964 1.00 0.00 C ATOM 0 H VAL A 82 8.103 0.062 11.629 1.00 0.00 H new ATOM 0 HA VAL A 82 9.331 0.826 9.088 1.00 0.00 H new ATOM 0 HB VAL A 82 6.406 0.286 9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.871 -1.150 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.520 0.492 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.613 -0.849 7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.782 -2.170 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.519 -1.867 9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.336 -1.271 11.023 1.00 0.00 H new ATOM 1287 N LYS A 83 8.227 3.051 8.657 1.00 0.00 N ATOM 1288 CA LYS A 83 7.709 4.387 8.508 1.00 0.00 C ATOM 1289 C LYS A 83 6.387 4.311 7.761 1.00 0.00 C ATOM 1290 O LYS A 83 6.241 3.476 6.874 1.00 0.00 O ATOM 1291 CB LYS A 83 8.708 5.233 7.714 1.00 0.00 C ATOM 1292 CG LYS A 83 10.141 4.960 8.190 1.00 0.00 C ATOM 1293 CD LYS A 83 10.281 5.305 9.674 1.00 0.00 C ATOM 1294 CE LYS A 83 11.747 5.169 10.088 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.894 5.541 11.523 1.00 0.00 N ATOM 0 H LYS A 83 8.888 2.768 7.934 1.00 0.00 H new ATOM 0 HA LYS A 83 7.555 4.845 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.622 5.006 6.651 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.474 6.291 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.392 3.912 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.845 5.551 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.932 6.321 9.857 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.659 4.641 10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.087 4.146 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.372 5.812 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.891 5.449 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.585 6.525 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.309 4.910 12.107 1.00 0.00 H new ATOM 1309 N ASN A 84 5.436 5.173 8.129 1.00 0.00 N ATOM 1310 CA ASN A 84 4.124 5.194 7.486 1.00 0.00 C ATOM 1311 C ASN A 84 3.286 4.012 7.956 1.00 0.00 C ATOM 1312 O ASN A 84 2.178 3.785 7.470 1.00 0.00 O ATOM 1313 CB ASN A 84 4.268 5.151 5.955 1.00 0.00 C ATOM 1314 CG ASN A 84 5.243 6.220 5.475 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.133 6.699 4.349 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.206 6.614 6.259 1.00 0.00 N ATOM 0 H ASN A 84 5.552 5.865 8.869 1.00 0.00 H new ATOM 0 HA ASN A 84 3.624 6.121 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.619 4.167 5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.295 5.304 5.489 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.868 7.320 5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.297 6.216 7.194 1.00 0.00 H new ATOM 1323 N ARG A 85 3.832 3.260 8.901 1.00 0.00 N ATOM 1324 CA ARG A 85 3.143 2.083 9.437 1.00 0.00 C ATOM 1325 C ARG A 85 1.667 2.371 9.679 1.00 0.00 C ATOM 1326 O ARG A 85 0.843 1.463 9.733 1.00 0.00 O ATOM 1327 CB ARG A 85 3.820 1.620 10.740 1.00 0.00 C ATOM 1328 CG ARG A 85 3.483 2.533 11.939 1.00 0.00 C ATOM 1329 CD ARG A 85 4.346 3.795 11.910 1.00 0.00 C ATOM 1330 NE ARG A 85 4.110 4.579 13.113 1.00 0.00 N ATOM 1331 CZ ARG A 85 4.608 5.802 13.252 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.333 6.323 12.301 1.00 0.00 N ATOM 1333 NH2 ARG A 85 4.377 6.479 14.344 1.00 0.00 N ATOM 0 H ARG A 85 4.747 3.439 9.315 1.00 0.00 H new ATOM 0 HA ARG A 85 3.211 1.284 8.698 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.508 0.600 10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.900 1.598 10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.428 2.806 11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.648 1.994 12.872 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.400 3.525 11.841 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.111 4.388 11.026 1.00 0.00 H new ATOM 0 HE ARG A 85 3.550 4.180 13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.517 5.791 11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.716 7.263 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.815 6.068 15.089 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.759 7.419 14.452 1.00 0.00 H new ATOM 1347 N ASP A 86 1.351 3.639 9.843 1.00 0.00 N ATOM 1348 CA ASP A 86 -0.024 4.054 10.090 1.00 0.00 C ATOM 1349 C ASP A 86 -0.810 4.076 8.787 1.00 0.00 C ATOM 1350 O ASP A 86 -1.970 3.654 8.735 1.00 0.00 O ATOM 1351 CB ASP A 86 -0.039 5.440 10.743 1.00 0.00 C ATOM 1352 CG ASP A 86 -1.474 5.931 10.917 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -2.372 5.107 10.862 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.652 7.124 11.100 1.00 0.00 O ATOM 0 H ASP A 86 2.025 4.404 9.811 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.494 3.339 10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.458 5.398 11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.521 6.145 10.128 1.00 0.00 H new ATOM 1359 N LEU A 87 -0.162 4.549 7.727 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.796 4.602 6.433 1.00 0.00 C ATOM 1361 C LEU A 87 -0.949 3.195 5.922 1.00 0.00 C ATOM 1362 O LEU A 87 -1.988 2.832 5.391 1.00 0.00 O ATOM 1363 CB LEU A 87 0.059 5.428 5.464 1.00 0.00 C ATOM 1364 CG LEU A 87 0.449 6.773 6.107 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.222 7.640 5.096 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.808 7.527 6.561 1.00 0.00 C ATOM 0 H LEU A 87 0.797 4.897 7.747 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.774 5.075 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.957 4.871 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.494 5.605 4.541 1.00 0.00 H new ATOM 0 HG LEU A 87 1.082 6.571 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.492 8.588 5.561 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.127 7.117 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.595 7.829 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.520 8.476 7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.450 7.716 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.349 6.926 7.292 1.00 0.00 H new ATOM 1378 N TRP A 88 0.102 2.408 6.113 1.00 0.00 N ATOM 1379 CA TRP A 88 0.123 1.028 5.690 1.00 0.00 C ATOM 1380 C TRP A 88 -0.906 0.193 6.446 1.00 0.00 C ATOM 1381 O TRP A 88 -1.814 -0.375 5.845 1.00 0.00 O ATOM 1382 CB TRP A 88 1.515 0.495 5.978 1.00 0.00 C ATOM 1383 CG TRP A 88 2.468 0.956 4.948 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.501 1.772 5.179 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.483 0.646 3.538 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.157 2.006 3.988 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.560 1.327 2.941 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.665 -0.151 2.731 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.815 1.222 1.580 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.915 -0.262 1.359 1.00 0.00 C ATOM 1391 CH2 TRP A 88 2.983 0.425 0.786 1.00 0.00 C ATOM 0 H TRP A 88 0.962 2.716 6.567 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.124 0.966 4.630 1.00 0.00 H new ATOM 0 HB2 TRP A 88 1.843 0.831 6.962 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.496 -0.595 6.003 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.777 2.181 6.140 1.00 0.00 H new ATOM 0 HE1 TRP A 88 4.978 2.604 3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.835 -0.684 3.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.647 1.750 1.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.279 -0.881 0.743 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.169 0.342 -0.275 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.750 0.115 7.764 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.674 -0.678 8.576 1.00 0.00 C ATOM 1404 C GLU A 89 -3.120 -0.310 8.251 1.00 0.00 C ATOM 1405 O GLU A 89 -4.030 -1.144 8.333 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.416 -0.439 10.070 1.00 0.00 C ATOM 1407 CG GLU A 89 -0.137 -1.161 10.500 1.00 0.00 C ATOM 1408 CD GLU A 89 0.165 -0.863 11.967 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.630 -0.175 12.586 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.183 -1.331 12.448 1.00 0.00 O ATOM 0 H GLU A 89 -0.008 0.580 8.287 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.509 -1.730 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.324 0.629 10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.262 -0.799 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.250 -2.235 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.698 -0.841 9.876 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.320 0.944 7.866 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.659 1.428 7.523 1.00 0.00 C ATOM 1419 C ALA A 90 -5.004 1.071 6.085 1.00 0.00 C ATOM 1420 O ALA A 90 -6.131 0.676 5.788 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.744 2.941 7.722 1.00 0.00 C ATOM 0 H ALA A 90 -2.581 1.642 7.783 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.378 0.945 8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.745 3.286 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.535 3.183 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.013 3.434 7.081 1.00 0.00 H new ATOM 1427 N LEU A 91 -4.026 1.187 5.203 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.225 0.843 3.817 1.00 0.00 C ATOM 1429 C LEU A 91 -4.376 -0.677 3.686 1.00 0.00 C ATOM 1430 O LEU A 91 -5.076 -1.164 2.811 1.00 0.00 O ATOM 1431 CB LEU A 91 -3.055 1.424 2.977 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.640 0.470 1.861 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.839 1.224 0.792 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.787 -0.712 2.421 1.00 0.00 C ATOM 0 H LEU A 91 -3.088 1.518 5.428 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.144 1.282 3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.354 2.380 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.202 1.619 3.626 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.546 0.061 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.548 0.533 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.453 2.020 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.946 1.655 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.505 -1.376 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.888 -0.319 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.372 -1.267 3.155 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.714 -1.412 4.560 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.788 -2.868 4.541 1.00 0.00 C ATOM 1448 C LEU A 92 -5.161 -3.321 5.016 1.00 0.00 C ATOM 1449 O LEU A 92 -5.730 -4.274 4.486 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.687 -3.471 5.419 1.00 0.00 C ATOM 1451 CG LEU A 92 -2.702 -5.017 5.322 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.112 -5.472 3.983 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -1.888 -5.631 6.473 1.00 0.00 C ATOM 0 H LEU A 92 -3.118 -1.028 5.293 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.637 -3.217 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.715 -3.090 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.831 -3.164 6.455 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.736 -5.355 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.129 -6.561 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.703 -5.059 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.083 -5.121 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.907 -6.718 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.857 -5.281 6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.322 -5.330 7.427 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.689 -2.624 6.010 1.00 0.00 N ATOM 1466 CA LEU A 93 -7.012 -2.953 6.533 1.00 0.00 C ATOM 1467 C LEU A 93 -8.066 -2.503 5.541 1.00 0.00 C ATOM 1468 O LEU A 93 -9.139 -3.093 5.424 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.239 -2.265 7.882 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.455 -2.983 8.994 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.321 -2.044 10.191 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.197 -4.250 9.435 1.00 0.00 C ATOM 0 H LEU A 93 -5.231 -1.836 6.468 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.081 -4.031 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.925 -1.223 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.302 -2.264 8.122 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.471 -3.260 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.766 -2.544 10.985 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.788 -1.142 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.313 -1.775 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.631 -4.748 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.184 -3.981 9.812 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.305 -4.923 8.584 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.731 -1.442 4.835 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.620 -0.872 3.831 1.00 0.00 C ATOM 1486 C ALA A 94 -8.462 -1.593 2.502 1.00 0.00 C ATOM 1487 O ALA A 94 -9.297 -1.449 1.631 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.327 0.620 3.645 1.00 0.00 C ATOM 0 H ALA A 94 -6.843 -0.950 4.936 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.646 -0.995 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.999 1.032 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.478 1.141 4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.295 0.750 3.320 1.00 0.00 H new ATOM 1494 N MET A 95 -7.396 -2.382 2.360 1.00 0.00 N ATOM 1495 CA MET A 95 -7.156 -3.134 1.115 1.00 0.00 C ATOM 1496 C MET A 95 -7.720 -4.540 1.204 1.00 0.00 C ATOM 1497 O MET A 95 -7.625 -5.324 0.261 1.00 0.00 O ATOM 1498 CB MET A 95 -5.653 -3.199 0.806 1.00 0.00 C ATOM 1499 CG MET A 95 -5.218 -1.926 0.093 1.00 0.00 C ATOM 1500 SD MET A 95 -3.410 -1.896 -0.071 1.00 0.00 S ATOM 1501 CE MET A 95 -3.188 -3.392 -1.042 1.00 0.00 C ATOM 0 H MET A 95 -6.688 -2.520 3.081 1.00 0.00 H new ATOM 0 HA MET A 95 -7.666 -2.607 0.309 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.087 -3.321 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.438 -4.067 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.682 -1.874 -0.892 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.556 -1.053 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.234 -3.347 -1.567 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.198 -4.259 -0.382 1.00 0.00 H new ATOM 0 HE3 MET A 95 -3.997 -3.479 -1.767 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.299 -4.847 2.336 1.00 0.00 N ATOM 1512 CA ALA A 96 -8.880 -6.173 2.542 1.00 0.00 C ATOM 1513 C ALA A 96 -10.197 -6.303 1.766 1.00 0.00 C ATOM 1514 O ALA A 96 -10.392 -7.274 1.035 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.093 -6.452 4.052 1.00 0.00 C ATOM 0 H ALA A 96 -8.387 -4.212 3.130 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.184 -6.920 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.526 -7.444 4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.135 -6.404 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.768 -5.704 4.468 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.099 -5.360 1.907 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.416 -5.394 1.197 1.00 0.00 C ATOM 1523 C PRO A 97 -12.267 -5.326 -0.329 1.00 0.00 C ATOM 1524 O PRO A 97 -13.068 -5.902 -1.064 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.161 -4.150 1.724 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.444 -3.770 2.977 1.00 0.00 C ATOM 1527 CD PRO A 97 -10.988 -4.158 2.750 1.00 0.00 C ATOM 0 HA PRO A 97 -12.945 -6.328 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.139 -3.339 0.996 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.210 -4.373 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.539 -2.702 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.859 -4.292 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.431 -3.365 2.252 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.474 -4.368 3.688 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.257 -4.586 -0.797 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.040 -4.419 -2.235 1.00 0.00 C ATOM 1537 C HIS A 98 -10.108 -5.479 -2.793 1.00 0.00 C ATOM 1538 O HIS A 98 -9.348 -6.116 -2.061 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.420 -3.050 -2.506 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.148 -2.004 -1.721 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.501 -1.765 -1.873 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -10.717 -1.126 -0.778 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.832 -0.770 -1.030 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -11.776 -0.341 -0.334 1.00 0.00 N ATOM 0 H HIS A 98 -10.583 -4.098 -0.207 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.011 -4.513 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.365 -3.057 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.471 -2.821 -3.570 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.699 -1.049 -0.424 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.829 -0.368 -0.929 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.751 0.399 0.368 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.156 -5.629 -4.112 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.288 -6.583 -4.808 1.00 0.00 C ATOM 1554 C ARG A 99 -8.124 -5.831 -5.414 1.00 0.00 C ATOM 1555 O ARG A 99 -7.224 -6.427 -6.001 1.00 0.00 O ATOM 1556 CB ARG A 99 -10.073 -7.329 -5.903 1.00 0.00 C ATOM 1557 CG ARG A 99 -10.650 -8.641 -5.349 1.00 0.00 C ATOM 1558 CD ARG A 99 -11.407 -8.388 -4.037 1.00 0.00 C ATOM 1559 NE ARG A 99 -12.418 -9.419 -3.841 1.00 0.00 N ATOM 1560 CZ ARG A 99 -13.109 -9.495 -2.709 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -12.896 -8.631 -1.755 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -14.002 -10.433 -2.553 1.00 0.00 N ATOM 0 H ARG A 99 -10.783 -5.106 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.918 -7.323 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.880 -6.698 -6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.418 -7.541 -6.749 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.322 -9.087 -6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.845 -9.355 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.710 -8.386 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.878 -7.405 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.598 -10.093 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.199 -7.897 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.427 -8.690 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.169 -11.107 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.533 -10.492 -1.684 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.173 -4.515 -5.234 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.142 -3.586 -5.719 1.00 0.00 C ATOM 1578 C VAL A 100 -5.958 -4.303 -6.368 1.00 0.00 C ATOM 1579 O VAL A 100 -5.210 -5.022 -5.708 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.652 -2.738 -4.540 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -6.282 -3.656 -3.371 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.426 -1.912 -4.954 1.00 0.00 C ATOM 0 H VAL A 100 -8.937 -4.052 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.591 -2.960 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.448 -2.059 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.933 -3.054 -2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.158 -4.229 -3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.491 -4.339 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.088 -1.314 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.625 -2.582 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.693 -1.253 -5.780 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.807 -4.110 -7.669 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.721 -4.738 -8.412 1.00 0.00 C ATOM 1594 C ARG A 101 -3.516 -3.810 -8.433 1.00 0.00 C ATOM 1595 O ARG A 101 -3.664 -2.587 -8.326 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.181 -5.017 -9.842 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.370 -5.996 -9.834 1.00 0.00 C ATOM 1598 CD ARG A 101 -7.282 -5.702 -11.027 1.00 0.00 C ATOM 1599 NE ARG A 101 -8.313 -6.726 -11.139 1.00 0.00 N ATOM 1600 CZ ARG A 101 -8.031 -7.932 -11.619 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.819 -8.212 -12.011 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.969 -8.835 -11.700 1.00 0.00 N ATOM 0 H ARG A 101 -6.422 -3.524 -8.234 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.444 -5.676 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.471 -4.085 -10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.359 -5.436 -10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.009 -7.023 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.929 -5.899 -8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.744 -4.722 -10.907 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.693 -5.667 -11.944 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.266 -6.513 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.087 -7.505 -11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.603 -9.138 -12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.917 -8.614 -11.395 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.754 -9.762 -12.068 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.326 -4.388 -8.579 1.00 0.00 N ATOM 1617 CA PHE A 102 -1.095 -3.598 -8.617 1.00 0.00 C ATOM 1618 C PHE A 102 -0.507 -3.610 -10.023 1.00 0.00 C ATOM 1619 O PHE A 102 -0.310 -4.670 -10.618 1.00 0.00 O ATOM 1620 CB PHE A 102 -0.065 -4.169 -7.639 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.725 -4.464 -6.305 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.378 -3.440 -5.601 1.00 0.00 C ATOM 1623 CD2 PHE A 102 -0.680 -5.760 -5.769 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.981 -3.713 -4.364 1.00 0.00 C ATOM 1625 CE2 PHE A 102 -1.277 -6.028 -4.534 1.00 0.00 C ATOM 1626 CZ PHE A 102 -1.928 -5.010 -3.834 1.00 0.00 C ATOM 0 H PHE A 102 -2.187 -5.394 -8.673 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.337 -2.574 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.371 -5.080 -8.048 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.751 -3.459 -7.502 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.416 -2.442 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.184 -6.551 -6.311 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.485 -2.926 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.235 -7.025 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.392 -5.222 -2.882 1.00 0.00 H new ATOM 1636 N HIS A 103 -0.226 -2.420 -10.547 1.00 0.00 N ATOM 1637 CA HIS A 103 0.349 -2.284 -11.887 1.00 0.00 C ATOM 1638 C HIS A 103 1.510 -1.295 -11.857 1.00 0.00 C ATOM 1639 O HIS A 103 1.361 -0.140 -12.252 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.731 -1.787 -12.864 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.446 -2.956 -13.489 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.078 -3.469 -14.722 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.499 -3.726 -13.062 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.895 -4.502 -14.993 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.780 -4.702 -14.012 1.00 0.00 N ATOM 0 H HIS A 103 -0.386 -1.535 -10.066 1.00 0.00 H new ATOM 0 HA HIS A 103 0.717 -3.255 -12.218 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.445 -1.154 -12.337 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.274 -1.173 -13.641 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -3.029 -3.594 -12.130 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -1.842 -5.097 -15.893 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.506 -5.417 -13.969 1.00 0.00 H new ATOM 1653 N PHE A 104 2.664 -1.751 -11.391 1.00 0.00 N ATOM 1654 CA PHE A 104 3.819 -0.884 -11.319 1.00 0.00 C ATOM 1655 C PHE A 104 4.163 -0.348 -12.707 1.00 0.00 C ATOM 1656 O PHE A 104 4.764 -1.045 -13.524 1.00 0.00 O ATOM 1657 CB PHE A 104 5.013 -1.652 -10.727 1.00 0.00 C ATOM 1658 CG PHE A 104 4.509 -2.747 -9.811 1.00 0.00 C ATOM 1659 CD1 PHE A 104 3.922 -2.414 -8.584 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.626 -4.091 -10.189 1.00 0.00 C ATOM 1661 CE1 PHE A 104 3.453 -3.423 -7.736 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.155 -5.101 -9.339 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.568 -4.766 -8.112 1.00 0.00 C ATOM 0 H PHE A 104 2.820 -2.704 -11.062 1.00 0.00 H new ATOM 0 HA PHE A 104 3.590 -0.039 -10.670 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.615 -2.082 -11.528 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.659 -0.970 -10.174 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.831 -1.378 -8.292 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.079 -4.349 -11.135 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.001 -3.165 -6.789 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.245 -6.137 -9.630 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.204 -5.544 -7.457 1.00 0.00 H new ATOM 1673 N VAL A 105 3.776 0.898 -12.960 1.00 0.00 N ATOM 1674 CA VAL A 105 4.030 1.541 -14.236 1.00 0.00 C ATOM 1675 C VAL A 105 5.344 2.314 -14.164 1.00 0.00 C ATOM 1676 O VAL A 105 5.370 3.532 -14.048 1.00 0.00 O ATOM 1677 CB VAL A 105 2.841 2.471 -14.570 1.00 0.00 C ATOM 1678 CG1 VAL A 105 3.238 3.535 -15.610 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.685 1.627 -15.130 1.00 0.00 C ATOM 0 H VAL A 105 3.281 1.484 -12.288 1.00 0.00 H new ATOM 0 HA VAL A 105 4.123 0.799 -15.029 1.00 0.00 H new ATOM 0 HB VAL A 105 2.536 2.981 -13.656 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.380 4.173 -15.823 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.053 4.142 -15.216 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.562 3.044 -16.528 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.842 2.276 -15.368 1.00 0.00 H new ATOM 0 HG22 VAL A 105 2.014 1.113 -16.033 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.378 0.892 -14.386 1.00 0.00 H new ATOM 1689 N LYS A 106 6.441 1.580 -14.244 1.00 0.00 N ATOM 1690 CA LYS A 106 7.773 2.179 -14.207 1.00 0.00 C ATOM 1691 C LYS A 106 8.443 2.039 -15.572 1.00 0.00 C ATOM 1692 O LYS A 106 8.230 1.021 -16.211 1.00 0.00 O ATOM 1693 CB LYS A 106 8.634 1.487 -13.156 1.00 0.00 C ATOM 1694 CG LYS A 106 8.046 1.718 -11.765 1.00 0.00 C ATOM 1695 CD LYS A 106 8.927 1.026 -10.725 1.00 0.00 C ATOM 1696 CE LYS A 106 8.398 1.323 -9.321 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.279 0.671 -8.312 1.00 0.00 N ATOM 0 H LYS A 106 6.440 0.564 -14.335 1.00 0.00 H new ATOM 0 HA LYS A 106 7.672 3.234 -13.953 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.688 0.418 -13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.653 1.872 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.986 2.786 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.030 1.326 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.937 -0.050 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.956 1.373 -10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.368 2.399 -9.152 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.377 0.956 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.744 0.513 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.615 -0.241 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.094 1.286 -8.114 1.00 0.00 H new