USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 903 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 76 SER OG : rot -70:sc= 0.145 USER MOD Set 1.2: A 79 GLN : amide:sc= -3.01! K(o=-2.9!,f=-1.8) USER MOD Set 2.1: A 57 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= -0.614 X(o=-0.56,f=-0.22) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -148:sc= 0.0515 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 36:sc= 0.391 USER MOD Single : A 13 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.47) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -6.35! K(o=-6.4!,f=0.011) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.83 K(o=-6.8,f=-8.6!) USER MOD Single : A 34 ASN : amide:sc= -2.02! K(o=-2!,f=-0.58) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -7.05! C(o=-7!,f=-6.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 45 THR OG1 : rot 88:sc= -3.07! USER MOD Single : A 46 GLN : amide:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= -0.983 (180deg=-2.11!) USER MOD Single : A 83 ASN : amide:sc= -4.8! C(o=-4.8!,f=-14!) USER MOD Single : A 85 SER OG : rot 90:sc= 0.981 USER MOD Single : A 92 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0212 (180deg=-0.381) USER MOD Single : A 100 LYS NZ :NH3+ -103:sc= -1.04 (180deg=-3.07!) USER MOD Single : A 108 ASN : amide:sc= -0.312 K(o=-0.31,f=0.47) USER MOD Single : A 109 CYS SG : rot -33:sc= 0.178 USER MOD Single : A 112 LYS NZ :NH3+ -150:sc= -0.26 (180deg=-1.31!) USER MOD Single : A 113 SER OG : rot 124:sc= -0.241 USER MOD Single : A 114 THR OG1 : rot 140:sc= -1.49 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 123 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 124 LYS NZ :NH3+ -121:sc= -4.25! (180deg=-4.88!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 18.986 -6.368 1.364 1.00 1.61 N ATOM 138 CA THR A 9 19.744 -5.216 1.933 1.00 1.66 C ATOM 139 C THR A 9 18.901 -4.468 2.964 1.00 1.62 C ATOM 140 O THR A 9 19.382 -4.067 4.004 1.00 1.65 O ATOM 141 CB THR A 9 20.133 -4.267 0.790 1.00 1.71 C ATOM 142 OG1 THR A 9 20.640 -5.028 -0.297 1.00 1.71 O ATOM 143 CG2 THR A 9 21.203 -3.276 1.254 1.00 1.78 C ATOM 0 HA THR A 9 20.638 -5.588 2.433 1.00 1.66 H new ATOM 0 HB THR A 9 19.249 -3.710 0.479 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.147 -5.872 -0.363 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.466 -2.612 0.430 1.00 1.78 H new ATOM 0 HG22 THR A 9 20.817 -2.687 2.086 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.089 -3.822 1.576 1.00 1.78 H new ATOM 151 N LEU A 10 17.657 -4.274 2.680 1.00 1.55 N ATOM 152 CA LEU A 10 16.771 -3.535 3.627 1.00 1.52 C ATOM 153 C LEU A 10 16.855 -4.162 5.028 1.00 1.51 C ATOM 154 O LEU A 10 17.057 -3.482 6.013 1.00 1.54 O ATOM 155 CB LEU A 10 15.324 -3.597 3.094 1.00 1.44 C ATOM 156 CG LEU A 10 14.542 -2.316 3.440 1.00 1.43 C ATOM 157 CD1 LEU A 10 15.150 -1.088 2.725 1.00 1.48 C ATOM 158 CD2 LEU A 10 13.086 -2.503 2.993 1.00 1.36 C ATOM 0 H LEU A 10 17.202 -4.595 1.826 1.00 1.55 H new ATOM 0 HA LEU A 10 17.090 -2.495 3.702 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.339 -3.735 2.013 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.815 -4.462 3.519 1.00 1.44 H new ATOM 0 HG LEU A 10 14.594 -2.141 4.515 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.580 -0.196 2.986 1.00 1.48 H new ATOM 0 HD12 LEU A 10 16.186 -0.961 3.038 1.00 1.48 H new ATOM 0 HD13 LEU A 10 15.113 -1.240 1.646 1.00 1.48 H new ATOM 0 HD21 LEU A 10 12.515 -1.605 3.230 1.00 1.36 H new ATOM 0 HD22 LEU A 10 13.055 -2.680 1.918 1.00 1.36 H new ATOM 0 HD23 LEU A 10 12.652 -3.357 3.514 1.00 1.36 H new ATOM 170 N PHE A 11 16.692 -5.448 5.116 1.00 1.48 N ATOM 171 CA PHE A 11 16.744 -6.133 6.444 1.00 1.48 C ATOM 172 C PHE A 11 18.193 -6.407 6.837 1.00 1.55 C ATOM 173 O PHE A 11 18.568 -6.331 7.990 1.00 1.57 O ATOM 174 CB PHE A 11 16.022 -7.480 6.312 1.00 1.42 C ATOM 175 CG PHE A 11 14.543 -7.323 6.552 1.00 1.36 C ATOM 176 CD1 PHE A 11 14.054 -6.988 7.820 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.672 -7.535 5.501 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.674 -6.864 8.022 1.00 1.27 C ATOM 179 CE2 PHE A 11 12.292 -7.415 5.691 1.00 1.25 C ATOM 180 CZ PHE A 11 11.790 -7.079 6.955 1.00 1.23 C ATOM 0 H PHE A 11 16.523 -6.064 4.321 1.00 1.48 H new ATOM 0 HA PHE A 11 16.276 -5.501 7.199 1.00 1.48 H new ATOM 0 HB2 PHE A 11 16.191 -7.892 5.317 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.437 -8.191 7.026 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.739 -6.826 8.639 1.00 1.34 H new ATOM 0 HD2 PHE A 11 14.059 -7.795 4.527 1.00 1.31 H new ATOM 0 HE1 PHE A 11 12.291 -6.603 8.998 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.615 -7.581 4.866 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.725 -6.986 7.107 1.00 1.23 H new ATOM 190 N ASP A 12 18.989 -6.779 5.885 1.00 1.58 N ATOM 191 CA ASP A 12 20.413 -7.128 6.191 1.00 1.65 C ATOM 192 C ASP A 12 21.299 -5.885 6.246 1.00 1.70 C ATOM 193 O ASP A 12 22.474 -5.980 6.543 1.00 1.75 O ATOM 194 CB ASP A 12 20.954 -8.079 5.123 1.00 1.68 C ATOM 195 CG ASP A 12 19.952 -9.213 4.895 1.00 1.63 C ATOM 196 OD1 ASP A 12 19.124 -9.429 5.764 1.00 1.58 O ATOM 197 OD2 ASP A 12 20.030 -9.845 3.854 1.00 1.65 O ATOM 0 H ASP A 12 18.724 -6.860 4.903 1.00 1.58 H new ATOM 0 HA ASP A 12 20.432 -7.608 7.170 1.00 1.65 H new ATOM 0 HB2 ASP A 12 21.125 -7.538 4.192 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.915 -8.486 5.437 1.00 1.68 H new ATOM 202 N HIS A 13 20.776 -4.722 5.964 1.00 1.70 N ATOM 203 CA HIS A 13 21.644 -3.506 6.012 1.00 1.76 C ATOM 204 C HIS A 13 20.830 -2.270 6.396 1.00 1.73 C ATOM 205 O HIS A 13 21.352 -1.174 6.429 1.00 1.77 O ATOM 206 CB HIS A 13 22.281 -3.284 4.640 1.00 1.80 C ATOM 207 CG HIS A 13 23.427 -2.317 4.765 1.00 1.86 C ATOM 208 ND1 HIS A 13 23.356 -1.019 4.284 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.677 -2.444 5.317 1.00 1.91 C ATOM 210 CE1 HIS A 13 24.531 -0.422 4.555 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.373 -1.246 5.184 1.00 1.95 N ATOM 0 H HIS A 13 19.802 -4.560 5.706 1.00 1.70 H new ATOM 0 HA HIS A 13 22.417 -3.661 6.765 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.635 -4.232 4.235 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.539 -2.896 3.942 1.00 1.80 H new ATOM 0 HD2 HIS A 13 25.062 -3.338 5.784 1.00 1.91 H new ATOM 0 HE1 HIS A 13 24.765 0.600 4.295 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.321 -1.042 5.499 1.00 1.95 H new ATOM 219 N ALA A 14 19.568 -2.414 6.695 1.00 1.66 N ATOM 220 CA ALA A 14 18.788 -1.200 7.078 1.00 1.63 C ATOM 221 C ALA A 14 17.462 -1.568 7.760 1.00 1.56 C ATOM 222 O ALA A 14 16.406 -1.264 7.242 1.00 1.51 O ATOM 223 CB ALA A 14 18.513 -0.369 5.818 1.00 1.62 C ATOM 0 H ALA A 14 19.053 -3.294 6.692 1.00 1.66 H new ATOM 0 HA ALA A 14 19.375 -0.623 7.793 1.00 1.63 H new ATOM 0 HB1 ALA A 14 17.943 0.521 6.086 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.459 -0.072 5.365 1.00 1.62 H new ATOM 0 HB3 ALA A 14 17.941 -0.965 5.107 1.00 1.62 H new ATOM 229 N PRO A 15 17.542 -2.178 8.922 1.00 1.57 N ATOM 230 CA PRO A 15 16.336 -2.535 9.679 1.00 1.51 C ATOM 231 C PRO A 15 15.668 -1.239 10.162 1.00 1.50 C ATOM 232 O PRO A 15 14.512 -1.218 10.533 1.00 1.44 O ATOM 233 CB PRO A 15 16.851 -3.375 10.873 1.00 1.54 C ATOM 234 CG PRO A 15 18.401 -3.440 10.766 1.00 1.62 C ATOM 235 CD PRO A 15 18.814 -2.565 9.566 1.00 1.64 C ATOM 0 HA PRO A 15 15.601 -3.091 9.097 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.551 -2.922 11.818 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.423 -4.377 10.850 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.865 -3.078 11.683 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.734 -4.468 10.625 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.375 -1.689 9.891 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.454 -3.116 8.877 1.00 1.64 H new ATOM 243 N ASP A 16 16.410 -0.160 10.166 1.00 1.55 N ATOM 244 CA ASP A 16 15.849 1.144 10.634 1.00 1.55 C ATOM 245 C ASP A 16 15.151 1.864 9.477 1.00 1.52 C ATOM 246 O ASP A 16 14.042 2.343 9.612 1.00 1.48 O ATOM 247 CB ASP A 16 16.983 2.023 11.164 1.00 1.63 C ATOM 248 CG ASP A 16 17.678 1.313 12.326 1.00 1.65 C ATOM 249 OD1 ASP A 16 18.495 0.447 12.062 1.00 1.64 O ATOM 250 OD2 ASP A 16 17.382 1.648 13.461 1.00 1.68 O ATOM 0 H ASP A 16 17.384 -0.126 9.864 1.00 1.55 H new ATOM 0 HA ASP A 16 15.124 0.955 11.426 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.700 2.229 10.369 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.589 2.984 11.495 1.00 1.63 H new ATOM 255 N LYS A 17 15.788 1.945 8.342 1.00 1.55 N ATOM 256 CA LYS A 17 15.153 2.634 7.185 1.00 1.54 C ATOM 257 C LYS A 17 13.909 1.855 6.786 1.00 1.46 C ATOM 258 O LYS A 17 12.917 2.413 6.367 1.00 1.42 O ATOM 259 CB LYS A 17 16.127 2.687 6.008 1.00 1.59 C ATOM 260 CG LYS A 17 17.431 3.347 6.458 1.00 1.67 C ATOM 261 CD LYS A 17 18.335 3.578 5.244 1.00 1.72 C ATOM 262 CE LYS A 17 19.741 3.964 5.713 1.00 1.80 C ATOM 263 NZ LYS A 17 20.482 4.602 4.588 1.00 1.80 N ATOM 0 H LYS A 17 16.718 1.565 8.166 1.00 1.55 H new ATOM 0 HA LYS A 17 14.886 3.654 7.462 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.324 1.680 5.639 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.688 3.248 5.183 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.219 4.295 6.952 1.00 1.67 H new ATOM 0 HG3 LYS A 17 17.938 2.714 7.187 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.380 2.675 4.635 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.922 4.367 4.615 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.679 4.651 6.557 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.276 3.080 6.060 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.437 4.864 4.906 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 20.553 3.933 3.795 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.974 5.455 4.277 1.00 1.80 H new ATOM 277 N LEU A 18 13.949 0.561 6.934 1.00 1.43 N ATOM 278 CA LEU A 18 12.764 -0.265 6.588 1.00 1.36 C ATOM 279 C LEU A 18 11.559 0.314 7.314 1.00 1.31 C ATOM 280 O LEU A 18 10.469 0.403 6.784 1.00 1.26 O ATOM 281 CB LEU A 18 13.015 -1.702 7.065 1.00 1.35 C ATOM 282 CG LEU A 18 12.058 -2.699 6.364 1.00 1.35 C ATOM 283 CD1 LEU A 18 12.734 -4.067 6.244 1.00 1.28 C ATOM 284 CD2 LEU A 18 10.769 -2.859 7.179 1.00 1.41 C ATOM 0 H LEU A 18 14.754 0.040 7.281 1.00 1.43 H new ATOM 0 HA LEU A 18 12.586 -0.265 5.513 1.00 1.36 H new ATOM 0 HB2 LEU A 18 14.049 -1.981 6.860 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.877 -1.759 8.145 1.00 1.35 H new ATOM 0 HG LEU A 18 11.819 -2.311 5.374 1.00 1.35 H new ATOM 0 HD11 LEU A 18 12.058 -4.765 5.751 1.00 1.28 H new ATOM 0 HD12 LEU A 18 13.648 -3.971 5.658 1.00 1.28 H new ATOM 0 HD13 LEU A 18 12.979 -4.440 7.238 1.00 1.28 H new ATOM 0 HD21 LEU A 18 10.105 -3.562 6.676 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.011 -3.236 8.173 1.00 1.41 H new ATOM 0 HD23 LEU A 18 10.273 -1.893 7.269 1.00 1.41 H new ATOM 296 N ASN A 19 11.767 0.717 8.530 1.00 1.33 N ATOM 297 CA ASN A 19 10.654 1.310 9.322 1.00 1.29 C ATOM 298 C ASN A 19 10.259 2.651 8.700 1.00 1.30 C ATOM 299 O ASN A 19 9.113 2.880 8.364 1.00 1.25 O ATOM 300 CB ASN A 19 11.113 1.532 10.765 1.00 1.32 C ATOM 301 CG ASN A 19 9.910 1.915 11.629 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.142 1.064 12.033 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.712 3.169 11.931 1.00 1.22 N ATOM 0 H ASN A 19 12.663 0.663 9.015 1.00 1.33 H new ATOM 0 HA ASN A 19 9.799 0.634 9.317 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.579 0.626 11.153 1.00 1.32 H new ATOM 0 HB3 ASN A 19 11.866 2.319 10.801 1.00 1.32 H new ATOM 0 HD21 ASN A 19 8.913 3.435 12.506 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.357 3.883 11.592 1.00 1.22 H new ATOM 310 N VAL A 20 11.204 3.537 8.539 1.00 1.36 N ATOM 311 CA VAL A 20 10.889 4.861 7.933 1.00 1.38 C ATOM 312 C VAL A 20 10.364 4.659 6.509 1.00 1.34 C ATOM 313 O VAL A 20 9.550 5.420 6.026 1.00 1.32 O ATOM 314 CB VAL A 20 12.155 5.717 7.892 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.788 7.152 7.514 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.822 5.708 9.269 1.00 1.50 C ATOM 0 H VAL A 20 12.180 3.401 8.801 1.00 1.36 H new ATOM 0 HA VAL A 20 10.130 5.363 8.533 1.00 1.38 H new ATOM 0 HB VAL A 20 12.844 5.311 7.152 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.690 7.763 7.485 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.313 7.160 6.533 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.099 7.558 8.254 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.725 6.318 9.240 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.133 6.114 10.010 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.084 4.685 9.540 1.00 1.50 H new ATOM 326 N VAL A 21 10.821 3.640 5.833 1.00 1.33 N ATOM 327 CA VAL A 21 10.340 3.398 4.443 1.00 1.30 C ATOM 328 C VAL A 21 8.835 3.100 4.483 1.00 1.22 C ATOM 329 O VAL A 21 8.083 3.553 3.639 1.00 1.19 O ATOM 330 CB VAL A 21 11.116 2.221 3.826 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.393 1.710 2.574 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.529 2.689 3.436 1.00 1.38 C ATOM 0 H VAL A 21 11.504 2.967 6.181 1.00 1.33 H new ATOM 0 HA VAL A 21 10.510 4.280 3.826 1.00 1.30 H new ATOM 0 HB VAL A 21 11.179 1.416 4.558 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.951 0.877 2.146 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.391 1.375 2.843 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.322 2.514 1.841 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.080 1.857 2.999 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.457 3.498 2.709 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.052 3.044 4.324 1.00 1.38 H new ATOM 342 N LYS A 22 8.374 2.375 5.471 1.00 1.19 N ATOM 343 CA LYS A 22 6.923 2.103 5.553 1.00 1.12 C ATOM 344 C LYS A 22 6.244 3.451 5.734 1.00 1.12 C ATOM 345 O LYS A 22 5.232 3.712 5.150 1.00 1.09 O ATOM 346 CB LYS A 22 6.652 1.151 6.741 1.00 1.09 C ATOM 347 CG LYS A 22 5.208 1.300 7.307 1.00 1.03 C ATOM 348 CD LYS A 22 5.203 0.979 8.808 1.00 1.03 C ATOM 349 CE LYS A 22 5.728 2.187 9.601 1.00 1.09 C ATOM 350 NZ LYS A 22 6.448 1.708 10.815 1.00 1.14 N ATOM 0 H LYS A 22 8.941 1.967 6.214 1.00 1.19 H new ATOM 0 HA LYS A 22 6.537 1.614 4.659 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.809 0.121 6.420 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.372 1.351 7.534 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.845 2.314 7.141 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.530 0.629 6.780 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.193 0.731 9.133 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.825 0.105 9.004 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.397 2.781 8.979 1.00 1.09 H new ATOM 0 HE3 LYS A 22 4.900 2.835 9.888 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.331 2.399 11.583 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.057 0.791 11.112 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.459 1.599 10.598 1.00 1.14 H new ATOM 364 N LYS A 23 6.800 4.293 6.557 1.00 1.17 N ATOM 365 CA LYS A 23 6.190 5.637 6.804 1.00 1.18 C ATOM 366 C LYS A 23 6.131 6.461 5.506 1.00 1.20 C ATOM 367 O LYS A 23 5.280 7.317 5.342 1.00 1.20 O ATOM 368 CB LYS A 23 7.023 6.388 7.846 1.00 1.25 C ATOM 369 CG LYS A 23 6.985 5.630 9.176 1.00 1.23 C ATOM 370 CD LYS A 23 7.481 6.540 10.302 1.00 1.29 C ATOM 371 CE LYS A 23 7.324 5.822 11.644 1.00 1.36 C ATOM 372 NZ LYS A 23 7.487 6.804 12.753 1.00 1.39 N ATOM 0 H LYS A 23 7.659 4.110 7.076 1.00 1.17 H new ATOM 0 HA LYS A 23 5.173 5.494 7.169 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.052 6.487 7.501 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.633 7.397 7.980 1.00 1.25 H new ATOM 0 HG2 LYS A 23 5.969 5.296 9.386 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.608 4.738 9.115 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.526 6.803 10.138 1.00 1.29 H new ATOM 0 HD3 LYS A 23 6.915 7.472 10.307 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.344 5.349 11.703 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.066 5.029 11.734 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 7.381 6.317 13.666 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.432 7.235 12.699 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.763 7.545 12.669 1.00 1.39 H new ATOM 386 N THR A 24 7.005 6.214 4.573 1.00 1.22 N ATOM 387 CA THR A 24 6.951 6.996 3.304 1.00 1.24 C ATOM 388 C THR A 24 5.803 6.450 2.483 1.00 1.18 C ATOM 389 O THR A 24 5.150 7.148 1.727 1.00 1.18 O ATOM 390 CB THR A 24 8.267 6.841 2.536 1.00 1.30 C ATOM 391 OG1 THR A 24 9.356 7.110 3.409 1.00 1.36 O ATOM 392 CG2 THR A 24 8.295 7.821 1.363 1.00 1.31 C ATOM 0 H THR A 24 7.746 5.515 4.630 1.00 1.22 H new ATOM 0 HA THR A 24 6.804 8.056 3.512 1.00 1.24 H new ATOM 0 HB THR A 24 8.349 5.823 2.155 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.200 7.010 2.920 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.232 7.709 0.818 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.459 7.613 0.695 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.213 8.841 1.739 1.00 1.31 H new ATOM 400 N LEU A 25 5.525 5.203 2.665 1.00 1.13 N ATOM 401 CA LEU A 25 4.398 4.589 1.951 1.00 1.07 C ATOM 402 C LEU A 25 3.119 5.081 2.635 1.00 1.03 C ATOM 403 O LEU A 25 2.089 5.239 2.012 1.00 0.99 O ATOM 404 CB LEU A 25 4.572 3.075 2.031 1.00 1.03 C ATOM 405 CG LEU A 25 5.870 2.709 1.288 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.241 1.239 1.553 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.710 2.976 -0.230 1.00 1.09 C ATOM 0 H LEU A 25 6.038 4.577 3.286 1.00 1.13 H new ATOM 0 HA LEU A 25 4.348 4.860 0.896 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.623 2.751 3.070 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.718 2.568 1.581 1.00 1.03 H new ATOM 0 HG LEU A 25 6.680 3.335 1.661 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.161 0.994 1.021 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.389 1.088 2.622 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.437 0.592 1.203 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.634 2.714 -0.745 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.892 2.371 -0.622 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.491 4.031 -0.393 1.00 1.09 H new ATOM 419 N ILE A 26 3.203 5.389 3.912 1.00 1.04 N ATOM 420 CA ILE A 26 2.024 5.934 4.626 1.00 1.01 C ATOM 421 C ILE A 26 1.722 7.287 4.006 1.00 1.05 C ATOM 422 O ILE A 26 0.597 7.692 3.938 1.00 1.02 O ATOM 423 CB ILE A 26 2.340 6.113 6.127 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.544 4.736 6.757 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.178 6.822 6.846 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.716 4.859 8.275 1.00 1.01 C ATOM 0 H ILE A 26 4.043 5.282 4.481 1.00 1.04 H new ATOM 0 HA ILE A 26 1.175 5.256 4.539 1.00 1.01 H new ATOM 0 HB ILE A 26 3.240 6.720 6.228 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.690 4.097 6.533 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.422 4.258 6.323 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.421 6.938 7.902 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.019 7.804 6.400 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.271 6.227 6.746 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.860 3.868 8.706 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.585 5.480 8.494 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.826 5.316 8.706 1.00 1.01 H new ATOM 438 N THR A 27 2.736 7.991 3.571 1.00 1.11 N ATOM 439 CA THR A 27 2.515 9.338 2.962 1.00 1.15 C ATOM 440 C THR A 27 1.759 9.207 1.621 1.00 1.12 C ATOM 441 O THR A 27 0.747 9.849 1.404 1.00 1.12 O ATOM 442 CB THR A 27 3.883 10.020 2.755 1.00 1.23 C ATOM 443 OG1 THR A 27 4.337 10.530 4.001 1.00 1.27 O ATOM 444 CG2 THR A 27 3.765 11.175 1.753 1.00 1.27 C ATOM 0 H THR A 27 3.710 7.690 3.611 1.00 1.11 H new ATOM 0 HA THR A 27 1.904 9.947 3.628 1.00 1.15 H new ATOM 0 HB THR A 27 4.588 9.287 2.363 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.207 10.964 3.879 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.740 11.643 1.621 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.414 10.791 0.795 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.057 11.913 2.130 1.00 1.27 H new ATOM 452 N PHE A 28 2.238 8.389 0.720 1.00 1.10 N ATOM 453 CA PHE A 28 1.539 8.240 -0.600 1.00 1.07 C ATOM 454 C PHE A 28 0.049 7.930 -0.346 1.00 1.01 C ATOM 455 O PHE A 28 -0.848 8.482 -0.980 1.00 1.02 O ATOM 456 CB PHE A 28 2.241 7.116 -1.411 1.00 1.05 C ATOM 457 CG PHE A 28 1.278 6.402 -2.338 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.757 7.068 -3.453 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.893 5.080 -2.070 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.149 6.415 -4.292 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.009 4.428 -2.917 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.533 5.097 -4.026 1.00 1.00 C ATOM 0 H PHE A 28 3.076 7.820 0.836 1.00 1.10 H new ATOM 0 HA PHE A 28 1.593 9.160 -1.182 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.056 7.544 -1.994 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.685 6.396 -0.724 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.055 8.084 -3.664 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.293 4.565 -1.209 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.555 6.930 -5.150 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.300 3.408 -2.714 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.234 4.597 -4.677 1.00 1.00 H new ATOM 472 N VAL A 29 -0.229 7.074 0.589 1.00 0.97 N ATOM 473 CA VAL A 29 -1.646 6.754 0.888 1.00 0.92 C ATOM 474 C VAL A 29 -2.295 7.977 1.554 1.00 0.95 C ATOM 475 O VAL A 29 -3.447 8.286 1.319 1.00 0.94 O ATOM 476 CB VAL A 29 -1.696 5.533 1.809 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.145 5.097 2.011 1.00 0.81 C ATOM 478 CG2 VAL A 29 -0.915 4.386 1.164 1.00 0.85 C ATOM 0 H VAL A 29 0.461 6.583 1.158 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.194 6.520 -0.025 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.257 5.790 2.773 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.175 4.227 2.667 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.711 5.912 2.462 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.585 4.840 1.048 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -0.947 3.513 1.815 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.362 4.137 0.202 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.121 4.690 1.015 1.00 0.85 H new ATOM 488 N ASN A 30 -1.553 8.688 2.362 1.00 0.99 N ATOM 489 CA ASN A 30 -2.101 9.906 3.024 1.00 1.03 C ATOM 490 C ASN A 30 -2.509 10.880 1.932 1.00 1.06 C ATOM 491 O ASN A 30 -3.226 11.816 2.156 1.00 1.09 O ATOM 492 CB ASN A 30 -1.025 10.540 3.928 1.00 1.08 C ATOM 493 CG ASN A 30 -1.658 11.098 5.202 1.00 1.08 C ATOM 494 OD1 ASN A 30 -2.025 12.255 5.265 1.00 1.11 O ATOM 495 ND2 ASN A 30 -1.799 10.306 6.224 1.00 1.06 N ATOM 0 H ASN A 30 -0.583 8.474 2.593 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.960 9.652 3.645 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.272 9.795 4.185 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.513 11.338 3.390 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -2.220 10.655 7.085 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.489 9.336 6.164 1.00 1.06 H new ATOM 502 N LYS A 31 -2.045 10.648 0.749 1.00 1.07 N ATOM 503 CA LYS A 31 -2.393 11.542 -0.383 1.00 1.11 C ATOM 504 C LYS A 31 -3.773 11.138 -0.867 1.00 1.06 C ATOM 505 O LYS A 31 -4.697 11.933 -0.892 1.00 1.08 O ATOM 506 CB LYS A 31 -1.373 11.381 -1.514 1.00 1.13 C ATOM 507 CG LYS A 31 -1.517 12.547 -2.501 1.00 1.18 C ATOM 508 CD LYS A 31 -0.413 12.478 -3.571 1.00 1.19 C ATOM 509 CE LYS A 31 0.878 13.121 -3.048 1.00 1.23 C ATOM 510 NZ LYS A 31 1.874 13.198 -4.154 1.00 1.29 N ATOM 0 H LYS A 31 -1.432 9.869 0.510 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.383 12.585 -0.067 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.362 11.358 -1.106 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.531 10.433 -2.029 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.497 12.511 -2.977 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.457 13.495 -1.966 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.225 11.439 -3.843 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.742 12.990 -4.475 1.00 1.19 H new ATOM 0 HE2 LYS A 31 0.670 14.118 -2.661 1.00 1.23 H new ATOM 0 HE3 LYS A 31 1.280 12.536 -2.221 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.750 13.634 -3.802 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 2.079 12.240 -4.503 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.488 13.774 -4.929 1.00 1.29 H new ATOM 524 N HIS A 32 -3.939 9.891 -1.218 1.00 1.01 N ATOM 525 CA HIS A 32 -5.261 9.441 -1.657 1.00 0.97 C ATOM 526 C HIS A 32 -6.244 9.739 -0.529 1.00 0.95 C ATOM 527 O HIS A 32 -7.408 9.966 -0.747 1.00 0.95 O ATOM 528 CB HIS A 32 -5.179 7.929 -1.975 1.00 0.91 C ATOM 529 CG HIS A 32 -5.843 7.075 -0.905 1.00 0.93 C ATOM 530 ND1 HIS A 32 -5.117 6.324 0.009 1.00 0.89 N ATOM 531 CD2 HIS A 32 -7.163 6.827 -0.619 1.00 0.98 C ATOM 532 CE1 HIS A 32 -6.004 5.669 0.789 1.00 0.93 C ATOM 533 NE2 HIS A 32 -7.261 5.945 0.448 1.00 0.98 N ATOM 0 H HIS A 32 -3.210 9.178 -1.215 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.598 9.954 -2.558 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -5.654 7.736 -2.937 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.133 7.637 -2.072 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -8.002 7.256 -1.147 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -5.727 5.002 1.592 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -8.113 5.585 0.878 1.00 0.98 H new ATOM 541 N LEU A 33 -5.758 9.743 0.681 1.00 0.95 N ATOM 542 CA LEU A 33 -6.633 10.023 1.849 1.00 0.94 C ATOM 543 C LEU A 33 -6.714 11.535 2.059 1.00 1.01 C ATOM 544 O LEU A 33 -7.788 12.089 2.185 1.00 1.02 O ATOM 545 CB LEU A 33 -6.027 9.334 3.084 1.00 0.92 C ATOM 546 CG LEU A 33 -6.714 7.976 3.342 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.826 7.099 4.233 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.067 8.187 4.043 1.00 0.84 C ATOM 0 H LEU A 33 -4.781 9.562 0.911 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.640 9.641 1.682 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.958 9.184 2.935 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.140 9.976 3.957 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.874 7.485 2.382 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.319 6.143 4.410 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.870 6.928 3.738 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.657 7.601 5.185 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.540 7.221 4.219 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.908 8.692 4.996 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.712 8.798 3.412 1.00 0.84 H new ATOM 560 N ASN A 34 -5.589 12.208 2.101 1.00 1.05 N ATOM 561 CA ASN A 34 -5.621 13.692 2.304 1.00 1.12 C ATOM 562 C ASN A 34 -6.700 14.296 1.401 1.00 1.14 C ATOM 563 O ASN A 34 -7.218 15.362 1.669 1.00 1.18 O ATOM 564 CB ASN A 34 -4.257 14.309 1.963 1.00 1.18 C ATOM 565 CG ASN A 34 -4.372 15.837 1.913 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.967 16.519 2.834 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.910 16.405 0.869 1.00 1.29 N ATOM 0 H ASN A 34 -4.659 11.800 2.005 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.847 13.906 3.349 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.519 14.016 2.709 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.907 13.931 1.003 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.991 17.421 0.826 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -5.250 15.833 0.096 1.00 1.29 H new ATOM 574 N LYS A 35 -7.064 13.613 0.345 1.00 1.11 N ATOM 575 CA LYS A 35 -8.133 14.163 -0.534 1.00 1.13 C ATOM 576 C LYS A 35 -9.383 14.317 0.338 1.00 1.11 C ATOM 577 O LYS A 35 -9.887 15.404 0.539 1.00 1.16 O ATOM 578 CB LYS A 35 -8.386 13.182 -1.707 1.00 1.10 C ATOM 579 CG LYS A 35 -8.062 13.849 -3.057 1.00 0.97 C ATOM 580 CD LYS A 35 -6.536 13.990 -3.219 1.00 1.01 C ATOM 581 CE LYS A 35 -5.927 12.684 -3.768 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.791 12.788 -5.249 1.00 1.15 N ATOM 0 H LYS A 35 -6.674 12.715 0.059 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.854 15.125 -0.964 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.772 12.290 -1.580 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.426 12.857 -1.697 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.470 13.254 -3.874 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.534 14.830 -3.111 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.311 14.815 -3.895 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.083 14.233 -2.258 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.953 12.504 -3.314 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.561 11.836 -3.508 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.380 11.909 -5.623 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.728 12.940 -5.674 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.170 13.588 -5.485 1.00 1.15 H new ATOM 596 N LEU A 36 -9.854 13.233 0.891 1.00 1.04 N ATOM 597 CA LEU A 36 -11.036 13.306 1.794 1.00 1.02 C ATOM 598 C LEU A 36 -10.568 13.971 3.098 1.00 1.05 C ATOM 599 O LEU A 36 -11.294 14.092 4.058 1.00 1.03 O ATOM 600 CB LEU A 36 -11.527 11.875 2.070 1.00 0.95 C ATOM 601 CG LEU A 36 -13.063 11.810 2.212 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.537 12.733 3.340 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.747 12.208 0.884 1.00 0.89 C ATOM 0 H LEU A 36 -9.470 12.298 0.756 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.852 13.879 1.352 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.209 11.220 1.259 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.062 11.501 2.982 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.340 10.784 2.457 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.622 12.675 3.426 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.081 12.422 4.280 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.245 13.759 3.117 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.829 12.157 1.002 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.459 13.225 0.617 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.435 11.524 0.095 1.00 0.89 H new ATOM 615 N ASN A 37 -9.332 14.376 3.112 1.00 1.11 N ATOM 616 CA ASN A 37 -8.724 15.026 4.298 1.00 1.16 C ATOM 617 C ASN A 37 -8.797 14.099 5.511 1.00 1.11 C ATOM 618 O ASN A 37 -9.649 14.194 6.367 1.00 1.12 O ATOM 619 CB ASN A 37 -9.377 16.395 4.540 1.00 1.22 C ATOM 620 CG ASN A 37 -10.695 16.295 5.321 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.759 16.241 4.738 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.671 16.305 6.627 1.00 1.21 N ATOM 0 H ASN A 37 -8.697 14.278 2.320 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.665 15.210 4.116 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.683 17.032 5.088 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.564 16.878 3.581 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.544 16.268 7.153 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -9.779 16.350 7.120 1.00 1.21 H new ATOM 629 N LEU A 38 -7.872 13.185 5.565 1.00 1.06 N ATOM 630 CA LEU A 38 -7.813 12.207 6.695 1.00 1.02 C ATOM 631 C LEU A 38 -6.342 11.942 7.041 1.00 1.02 C ATOM 632 O LEU A 38 -5.488 12.775 6.810 1.00 1.06 O ATOM 633 CB LEU A 38 -8.498 10.904 6.270 1.00 0.98 C ATOM 634 CG LEU A 38 -10.025 11.096 6.222 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.673 9.841 5.619 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.584 11.341 7.643 1.00 1.02 C ATOM 0 H LEU A 38 -7.140 13.069 4.864 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.325 12.607 7.570 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.132 10.595 5.291 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.246 10.107 6.970 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.256 11.964 5.604 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.755 9.972 5.583 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.292 9.684 4.610 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.433 8.975 6.236 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.665 11.475 7.591 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.354 10.485 8.277 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.128 12.237 8.064 1.00 1.02 H new ATOM 648 N GLU A 39 -6.031 10.801 7.596 1.00 1.02 N ATOM 649 CA GLU A 39 -4.612 10.515 7.951 1.00 1.03 C ATOM 650 C GLU A 39 -4.429 9.025 8.270 1.00 0.98 C ATOM 651 O GLU A 39 -5.018 8.495 9.191 1.00 0.95 O ATOM 652 CB GLU A 39 -4.215 11.347 9.173 1.00 1.08 C ATOM 653 CG GLU A 39 -2.696 11.305 9.346 1.00 1.11 C ATOM 654 CD GLU A 39 -2.309 12.015 10.645 1.00 1.16 C ATOM 655 OE1 GLU A 39 -2.998 11.820 11.632 1.00 1.13 O ATOM 656 OE2 GLU A 39 -1.330 12.743 10.629 1.00 1.24 O ATOM 0 H GLU A 39 -6.695 10.059 7.818 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.979 10.775 7.103 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.549 12.377 9.049 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.704 10.958 10.066 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.350 10.271 9.367 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.210 11.786 8.498 1.00 1.11 H new ATOM 663 N VAL A 40 -3.600 8.355 7.513 1.00 0.98 N ATOM 664 CA VAL A 40 -3.342 6.896 7.749 1.00 0.94 C ATOM 665 C VAL A 40 -2.107 6.745 8.645 1.00 0.95 C ATOM 666 O VAL A 40 -1.303 7.648 8.759 1.00 0.99 O ATOM 667 CB VAL A 40 -3.089 6.212 6.401 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.058 7.025 5.587 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.576 4.782 6.631 1.00 0.89 C ATOM 0 H VAL A 40 -3.083 8.758 6.731 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.202 6.436 8.236 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.023 6.165 5.840 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.882 6.534 4.630 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.442 8.030 5.414 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.122 7.085 6.142 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.398 4.300 5.670 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.646 4.816 7.198 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.320 4.214 7.189 1.00 0.89 H new ATOM 679 N THR A 41 -1.954 5.612 9.293 1.00 0.93 N ATOM 680 CA THR A 41 -0.771 5.415 10.195 1.00 0.95 C ATOM 681 C THR A 41 -0.234 3.980 10.101 1.00 0.91 C ATOM 682 O THR A 41 0.867 3.709 10.537 1.00 0.96 O ATOM 683 CB THR A 41 -1.200 5.674 11.648 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.220 6.663 11.668 1.00 1.12 O ATOM 685 CG2 THR A 41 -0.003 6.156 12.475 1.00 1.20 C ATOM 0 H THR A 41 -2.593 4.819 9.237 1.00 0.93 H new ATOM 0 HA THR A 41 0.012 6.108 9.886 1.00 0.95 H new ATOM 0 HB THR A 41 -1.577 4.747 12.079 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.497 6.829 12.593 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.319 6.336 13.502 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.777 5.395 12.464 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.386 7.080 12.048 1.00 1.20 H new ATOM 693 N GLU A 42 -1.002 3.051 9.579 1.00 0.86 N ATOM 694 CA GLU A 42 -0.524 1.629 9.511 1.00 0.83 C ATOM 695 C GLU A 42 -0.611 1.107 8.076 1.00 0.81 C ATOM 696 O GLU A 42 -1.538 0.418 7.714 1.00 0.88 O ATOM 697 CB GLU A 42 -1.395 0.762 10.443 1.00 0.78 C ATOM 698 CG GLU A 42 -2.813 1.338 10.504 1.00 0.77 C ATOM 699 CD GLU A 42 -3.709 0.414 11.331 1.00 0.78 C ATOM 700 OE1 GLU A 42 -3.186 -0.264 12.200 1.00 0.84 O ATOM 701 OE2 GLU A 42 -4.904 0.401 11.081 1.00 0.83 O ATOM 0 H GLU A 42 -1.934 3.214 9.199 1.00 0.86 H new ATOM 0 HA GLU A 42 0.517 1.581 9.831 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.424 -0.265 10.079 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.960 0.734 11.442 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -2.793 2.334 10.947 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -3.216 1.446 9.497 1.00 0.77 H new ATOM 708 N LEU A 43 0.364 1.403 7.264 1.00 0.80 N ATOM 709 CA LEU A 43 0.337 0.899 5.866 1.00 0.78 C ATOM 710 C LEU A 43 0.209 -0.624 5.911 1.00 0.74 C ATOM 711 O LEU A 43 -0.557 -1.229 5.184 1.00 0.70 O ATOM 712 CB LEU A 43 1.643 1.322 5.173 1.00 0.86 C ATOM 713 CG LEU A 43 1.777 0.708 3.769 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.161 -0.786 3.832 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.464 0.886 2.994 1.00 0.90 C ATOM 0 H LEU A 43 1.176 1.970 7.508 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.505 1.309 5.308 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.678 2.409 5.098 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.493 1.017 5.784 1.00 0.86 H new ATOM 0 HG LEU A 43 2.580 1.232 3.250 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.246 -1.183 2.820 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.116 -0.895 4.346 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.392 -1.337 4.374 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.566 0.449 2.001 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.345 0.387 3.529 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.237 1.948 2.902 1.00 0.90 H new ATOM 727 N GLU A 44 0.964 -1.251 6.759 1.00 0.79 N ATOM 728 CA GLU A 44 0.905 -2.740 6.854 1.00 0.77 C ATOM 729 C GLU A 44 -0.552 -3.242 6.995 1.00 0.69 C ATOM 730 O GLU A 44 -1.066 -3.988 6.174 1.00 0.70 O ATOM 731 CB GLU A 44 1.721 -3.201 8.087 1.00 0.83 C ATOM 732 CG GLU A 44 2.590 -2.058 8.604 1.00 0.84 C ATOM 733 CD GLU A 44 3.485 -2.564 9.736 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.160 -3.592 10.308 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.481 -1.916 10.013 1.00 1.11 O ATOM 0 H GLU A 44 1.623 -0.801 7.395 1.00 0.79 H new ATOM 0 HA GLU A 44 1.322 -3.157 5.938 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.046 -3.538 8.873 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.348 -4.051 7.819 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.201 -1.658 7.795 1.00 0.84 H new ATOM 0 HG3 GLU A 44 1.961 -1.243 8.961 1.00 0.84 H new ATOM 742 N THR A 45 -1.207 -2.862 8.049 1.00 0.65 N ATOM 743 CA THR A 45 -2.600 -3.343 8.278 1.00 0.60 C ATOM 744 C THR A 45 -3.594 -2.598 7.392 1.00 0.58 C ATOM 745 O THR A 45 -4.779 -2.859 7.434 1.00 0.58 O ATOM 746 CB THR A 45 -2.974 -3.128 9.745 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.249 -1.754 9.962 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.816 -3.568 10.641 1.00 0.64 C ATOM 0 H THR A 45 -0.841 -2.237 8.767 1.00 0.65 H new ATOM 0 HA THR A 45 -2.642 -4.403 8.027 1.00 0.60 H new ATOM 0 HB THR A 45 -3.858 -3.719 9.986 1.00 0.65 H new ATOM 0 HG1 THR A 45 -4.194 -1.576 9.775 1.00 0.84 H new ATOM 0 HG21 THR A 45 -2.085 -3.414 11.686 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.607 -4.624 10.473 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.929 -2.980 10.404 1.00 0.64 H new ATOM 756 N GLN A 46 -3.145 -1.685 6.580 1.00 0.59 N ATOM 757 CA GLN A 46 -4.101 -0.968 5.714 1.00 0.59 C ATOM 758 C GLN A 46 -4.525 -1.913 4.604 1.00 0.54 C ATOM 759 O GLN A 46 -5.560 -1.739 3.991 1.00 0.58 O ATOM 760 CB GLN A 46 -3.456 0.296 5.135 1.00 0.65 C ATOM 761 CG GLN A 46 -3.509 1.438 6.183 1.00 0.66 C ATOM 762 CD GLN A 46 -4.653 2.410 5.862 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.857 2.770 4.719 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.409 2.852 6.830 1.00 1.04 N ATOM 0 H GLN A 46 -2.167 -1.410 6.483 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.972 -0.655 6.290 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.422 0.093 4.856 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.977 0.598 4.227 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.649 1.019 7.179 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.560 1.974 6.193 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.238 2.550 7.789 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.171 3.499 6.627 1.00 1.04 H new ATOM 773 N PHE A 47 -3.751 -2.949 4.363 1.00 0.50 N ATOM 774 CA PHE A 47 -4.130 -3.929 3.330 1.00 0.49 C ATOM 775 C PHE A 47 -4.805 -5.068 4.055 1.00 0.46 C ATOM 776 O PHE A 47 -5.480 -5.890 3.472 1.00 0.49 O ATOM 777 CB PHE A 47 -2.890 -4.424 2.597 1.00 0.54 C ATOM 778 CG PHE A 47 -2.474 -3.403 1.558 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.084 -2.120 1.961 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.473 -3.736 0.195 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.698 -1.173 1.007 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.083 -2.788 -0.757 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.697 -1.506 -0.352 1.00 0.89 C ATOM 0 H PHE A 47 -2.874 -3.145 4.846 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.793 -3.488 2.586 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.078 -4.589 3.305 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.096 -5.382 2.119 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.081 -1.861 3.010 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.773 -4.725 -0.119 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.400 -0.183 1.320 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.080 -3.046 -1.806 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.398 -0.774 -1.088 1.00 0.89 H new ATOM 793 N ALA A 48 -4.665 -5.077 5.348 1.00 0.42 N ATOM 794 CA ALA A 48 -5.336 -6.120 6.167 1.00 0.40 C ATOM 795 C ALA A 48 -6.814 -5.811 6.167 1.00 0.36 C ATOM 796 O ALA A 48 -7.530 -6.055 7.118 1.00 0.36 O ATOM 797 CB ALA A 48 -4.791 -6.116 7.598 1.00 0.42 C ATOM 0 H ALA A 48 -4.111 -4.403 5.876 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.149 -7.109 5.750 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.295 -6.887 8.181 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.720 -6.317 7.580 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.970 -5.142 8.053 1.00 0.42 H new ATOM 803 N ASP A 49 -7.261 -5.260 5.086 1.00 0.34 N ATOM 804 CA ASP A 49 -8.687 -4.898 4.964 1.00 0.32 C ATOM 805 C ASP A 49 -8.997 -4.527 3.514 1.00 0.31 C ATOM 806 O ASP A 49 -10.130 -4.562 3.083 1.00 0.31 O ATOM 807 CB ASP A 49 -8.955 -3.712 5.882 1.00 0.32 C ATOM 808 CG ASP A 49 -8.130 -2.504 5.430 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.188 -2.168 4.261 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.451 -1.932 6.267 1.00 0.36 O ATOM 0 H ASP A 49 -6.690 -5.042 4.269 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.322 -5.737 5.249 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.016 -3.464 5.869 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.701 -3.972 6.910 1.00 0.32 H new ATOM 815 N GLY A 50 -7.994 -4.176 2.756 1.00 0.32 N ATOM 816 CA GLY A 50 -8.241 -3.803 1.324 1.00 0.33 C ATOM 817 C GLY A 50 -9.257 -2.648 1.248 1.00 0.33 C ATOM 818 O GLY A 50 -9.658 -2.211 0.178 1.00 0.34 O ATOM 0 H GLY A 50 -7.021 -4.130 3.058 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.305 -3.507 0.850 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.617 -4.666 0.775 1.00 0.33 H new ATOM 822 N VAL A 51 -9.670 -2.150 2.375 1.00 0.33 N ATOM 823 CA VAL A 51 -10.646 -1.025 2.395 1.00 0.36 C ATOM 824 C VAL A 51 -9.950 0.240 1.903 1.00 0.40 C ATOM 825 O VAL A 51 -10.332 0.838 0.916 1.00 0.42 O ATOM 826 CB VAL A 51 -11.089 -0.809 3.838 1.00 0.37 C ATOM 827 CG1 VAL A 51 -11.896 0.487 3.968 1.00 0.43 C ATOM 828 CG2 VAL A 51 -11.949 -1.990 4.298 1.00 0.36 C ATOM 0 H VAL A 51 -9.371 -2.476 3.294 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.502 -1.250 1.759 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.200 -0.734 4.464 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.202 0.622 5.005 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.280 1.332 3.658 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.780 0.430 3.333 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.263 -1.831 5.330 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.828 -2.070 3.659 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.368 -2.910 4.233 1.00 0.36 H new ATOM 838 N TYR A 52 -8.924 0.647 2.596 1.00 0.41 N ATOM 839 CA TYR A 52 -8.189 1.867 2.186 1.00 0.47 C ATOM 840 C TYR A 52 -7.728 1.700 0.742 1.00 0.47 C ATOM 841 O TYR A 52 -7.355 2.648 0.081 1.00 0.51 O ATOM 842 CB TYR A 52 -6.976 2.060 3.097 1.00 0.49 C ATOM 843 CG TYR A 52 -7.449 2.450 4.478 1.00 0.51 C ATOM 844 CD1 TYR A 52 -7.881 3.759 4.723 1.00 0.57 C ATOM 845 CD2 TYR A 52 -7.457 1.505 5.511 1.00 0.48 C ATOM 846 CE1 TYR A 52 -8.321 4.123 6.001 1.00 0.60 C ATOM 847 CE2 TYR A 52 -7.897 1.868 6.789 1.00 0.51 C ATOM 848 CZ TYR A 52 -8.329 3.177 7.034 1.00 0.57 C ATOM 849 OH TYR A 52 -8.763 3.536 8.294 1.00 0.60 O ATOM 0 H TYR A 52 -8.565 0.184 3.430 1.00 0.41 H new ATOM 0 HA TYR A 52 -8.838 2.739 2.267 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.393 1.141 3.146 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.321 2.832 2.692 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -7.875 4.488 3.926 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.123 0.495 5.322 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -8.654 5.133 6.190 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -7.903 1.139 7.586 1.00 0.51 H new ATOM 0 HH TYR A 52 -8.706 2.762 8.893 1.00 0.60 H new ATOM 859 N LEU A 53 -7.748 0.493 0.248 1.00 0.43 N ATOM 860 CA LEU A 53 -7.294 0.265 -1.162 1.00 0.44 C ATOM 861 C LEU A 53 -8.358 0.776 -2.148 1.00 0.45 C ATOM 862 O LEU A 53 -8.103 1.667 -2.948 1.00 0.50 O ATOM 863 CB LEU A 53 -7.027 -1.242 -1.395 1.00 0.41 C ATOM 864 CG LEU A 53 -5.522 -1.566 -1.240 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.324 -3.070 -0.926 1.00 0.44 C ATOM 866 CD2 LEU A 53 -4.773 -1.200 -2.535 1.00 0.46 C ATOM 0 H LEU A 53 -8.055 -0.340 0.750 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.368 0.816 -1.330 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.605 -1.832 -0.684 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.363 -1.525 -2.392 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.121 -0.980 -0.413 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.260 -3.283 -0.820 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.838 -3.319 0.002 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.734 -3.669 -1.739 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -3.714 -1.430 -2.420 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.181 -1.775 -3.366 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -4.893 -0.136 -2.736 1.00 0.46 H new ATOM 878 N VAL A 54 -9.549 0.237 -2.127 1.00 0.43 N ATOM 879 CA VAL A 54 -10.555 0.747 -3.097 1.00 0.46 C ATOM 880 C VAL A 54 -10.697 2.259 -2.898 1.00 0.51 C ATOM 881 O VAL A 54 -11.024 2.995 -3.815 1.00 0.55 O ATOM 882 CB VAL A 54 -11.906 0.056 -2.885 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.746 0.167 -4.163 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.676 -1.421 -2.551 1.00 0.41 C ATOM 0 H VAL A 54 -9.859 -0.508 -1.503 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.226 0.533 -4.114 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.434 0.537 -2.062 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.707 -0.325 -4.011 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.910 1.218 -4.400 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.219 -0.313 -4.988 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.636 -1.914 -2.400 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.147 -1.902 -3.374 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.081 -1.500 -1.641 1.00 0.41 H new ATOM 894 N LEU A 55 -10.430 2.737 -1.710 1.00 0.52 N ATOM 895 CA LEU A 55 -10.533 4.200 -1.474 1.00 0.58 C ATOM 896 C LEU A 55 -9.500 4.889 -2.362 1.00 0.62 C ATOM 897 O LEU A 55 -9.795 5.857 -3.011 1.00 0.66 O ATOM 898 CB LEU A 55 -10.267 4.518 0.009 1.00 0.59 C ATOM 899 CG LEU A 55 -11.589 4.497 0.810 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.302 4.194 2.286 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.286 5.862 0.701 1.00 0.67 C ATOM 0 H LEU A 55 -10.148 2.181 -0.903 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.534 4.556 -1.716 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.571 3.789 0.425 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.795 5.497 0.099 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.237 3.722 0.400 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.239 4.181 2.844 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -10.816 3.222 2.370 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -10.647 4.964 2.695 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.217 5.841 1.267 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.634 6.637 1.103 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.503 6.077 -0.345 1.00 0.67 H new ATOM 913 N LEU A 56 -8.297 4.382 -2.422 1.00 0.62 N ATOM 914 CA LEU A 56 -7.275 5.014 -3.308 1.00 0.66 C ATOM 915 C LEU A 56 -7.895 5.184 -4.684 1.00 0.67 C ATOM 916 O LEU A 56 -7.982 6.274 -5.205 1.00 0.72 O ATOM 917 CB LEU A 56 -6.020 4.109 -3.365 1.00 0.65 C ATOM 918 CG LEU A 56 -5.180 4.357 -4.633 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.764 5.827 -4.717 1.00 0.72 C ATOM 920 CD2 LEU A 56 -3.922 3.487 -4.572 1.00 0.66 C ATOM 0 H LEU A 56 -7.979 3.565 -1.901 1.00 0.62 H new ATOM 0 HA LEU A 56 -6.968 5.988 -2.928 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.405 4.288 -2.483 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.326 3.063 -3.333 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.776 4.106 -5.510 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.171 5.987 -5.618 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.654 6.456 -4.752 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.170 6.088 -3.841 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.320 3.655 -5.465 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.341 3.749 -3.688 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.208 2.437 -4.519 1.00 0.66 H new ATOM 932 N MET A 57 -8.337 4.116 -5.260 1.00 0.62 N ATOM 933 CA MET A 57 -8.959 4.200 -6.614 1.00 0.63 C ATOM 934 C MET A 57 -9.902 5.413 -6.726 1.00 0.68 C ATOM 935 O MET A 57 -9.898 6.122 -7.716 1.00 0.72 O ATOM 936 CB MET A 57 -9.756 2.921 -6.878 1.00 0.58 C ATOM 937 CG MET A 57 -8.840 1.707 -6.722 1.00 0.55 C ATOM 938 SD MET A 57 -9.794 0.193 -6.995 1.00 0.60 S ATOM 939 CE MET A 57 -8.527 -0.976 -6.445 1.00 0.57 C ATOM 0 H MET A 57 -8.299 3.180 -4.858 1.00 0.62 H new ATOM 0 HA MET A 57 -8.163 4.317 -7.350 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.592 2.851 -6.182 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.179 2.944 -7.882 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.017 1.765 -7.435 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.398 1.697 -5.726 1.00 0.55 H new ATOM 0 HE1 MET A 57 -9.006 -1.868 -6.041 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.897 -1.254 -7.290 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.914 -0.511 -5.673 1.00 0.57 H new ATOM 949 N GLY A 58 -10.738 5.639 -5.746 1.00 0.67 N ATOM 950 CA GLY A 58 -11.710 6.778 -5.844 1.00 0.73 C ATOM 951 C GLY A 58 -11.094 8.143 -5.518 1.00 0.79 C ATOM 952 O GLY A 58 -11.204 9.076 -6.289 1.00 0.84 O ATOM 0 H GLY A 58 -10.793 5.091 -4.887 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.122 6.807 -6.853 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.542 6.593 -5.165 1.00 0.73 H new ATOM 956 N LEU A 59 -10.483 8.286 -4.387 1.00 0.79 N ATOM 957 CA LEU A 59 -9.906 9.608 -4.019 1.00 0.86 C ATOM 958 C LEU A 59 -8.920 10.028 -5.094 1.00 0.88 C ATOM 959 O LEU A 59 -8.568 11.184 -5.223 1.00 0.94 O ATOM 960 CB LEU A 59 -9.259 9.539 -2.620 1.00 0.86 C ATOM 961 CG LEU A 59 -10.254 8.887 -1.606 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.879 9.249 -0.156 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.700 9.370 -1.853 1.00 0.87 C ATOM 0 H LEU A 59 -10.355 7.547 -3.696 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.690 10.363 -3.963 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.338 8.958 -2.664 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.989 10.540 -2.285 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.191 7.809 -1.754 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.587 8.783 0.530 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.873 8.889 0.060 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.912 10.331 -0.031 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.369 8.899 -1.132 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.747 10.453 -1.738 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.007 9.099 -2.863 1.00 0.87 H new ATOM 975 N LEU A 60 -8.515 9.099 -5.898 1.00 0.84 N ATOM 976 CA LEU A 60 -7.594 9.428 -7.018 1.00 0.87 C ATOM 977 C LEU A 60 -8.450 10.020 -8.139 1.00 0.91 C ATOM 978 O LEU A 60 -8.231 11.127 -8.591 1.00 0.96 O ATOM 979 CB LEU A 60 -6.894 8.148 -7.508 1.00 0.82 C ATOM 980 CG LEU A 60 -5.588 8.481 -8.256 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.837 9.559 -9.316 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.506 8.967 -7.272 1.00 0.91 C ATOM 0 H LEU A 60 -8.781 8.117 -5.831 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.826 10.134 -6.702 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.675 7.501 -6.658 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.563 7.594 -8.167 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.239 7.572 -8.745 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.904 9.782 -9.834 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.574 9.200 -10.034 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.210 10.463 -8.835 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.592 9.197 -7.820 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -4.856 9.863 -6.759 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.303 8.186 -6.540 1.00 0.91 H new ATOM 994 N GLU A 61 -9.440 9.289 -8.576 1.00 0.87 N ATOM 995 CA GLU A 61 -10.327 9.804 -9.654 1.00 0.91 C ATOM 996 C GLU A 61 -11.189 10.941 -9.098 1.00 0.96 C ATOM 997 O GLU A 61 -11.679 11.776 -9.834 1.00 1.00 O ATOM 998 CB GLU A 61 -11.230 8.676 -10.157 1.00 0.86 C ATOM 999 CG GLU A 61 -10.367 7.504 -10.628 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.269 6.339 -11.039 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -12.430 6.586 -11.321 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -10.784 5.220 -11.065 1.00 0.74 O ATOM 0 H GLU A 61 -9.671 8.357 -8.232 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.721 10.175 -10.480 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.901 8.351 -9.362 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.855 9.033 -10.975 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.746 7.811 -11.469 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.692 7.192 -9.831 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.378 10.985 -7.803 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.207 12.071 -7.204 1.00 1.01 C ATOM 1011 C GLY A 62 -13.681 11.678 -7.254 1.00 1.00 C ATOM 1012 O GLY A 62 -14.435 12.151 -8.082 1.00 1.03 O ATOM 0 H GLY A 62 -10.994 10.315 -7.136 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.902 12.248 -6.172 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.050 13.003 -7.747 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.321 -6.949 5.741 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.480 -8.090 6.155 1.00 0.35 C ATOM 1209 C PRO A 74 -13.825 -8.488 7.595 1.00 0.35 C ATOM 1210 O PRO A 74 -13.758 -7.682 8.502 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.023 -7.582 6.042 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.080 -6.101 5.567 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.565 -5.740 5.340 1.00 0.47 C ATOM 0 HA PRO A 74 -13.635 -8.976 5.539 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.515 -7.657 7.003 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.459 -8.190 5.335 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.636 -5.442 6.313 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.510 -5.972 4.647 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.857 -4.876 5.938 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.754 -5.485 4.297 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.191 -9.727 7.806 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.543 -10.197 9.183 1.00 0.38 C ATOM 1223 C ASP A 75 -13.409 -11.076 9.706 1.00 0.36 C ATOM 1224 O ASP A 75 -12.965 -10.936 10.828 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.854 -11.010 9.114 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.724 -10.734 10.347 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.339 -11.155 11.426 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -17.758 -10.107 10.190 1.00 0.82 O ATOM 0 H ASP A 75 -14.262 -10.439 7.079 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.682 -9.348 9.853 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.403 -10.750 8.209 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.626 -12.074 9.054 1.00 0.46 H new ATOM 1233 N SER A 76 -12.947 -11.983 8.887 1.00 0.38 N ATOM 1234 CA SER A 76 -11.840 -12.899 9.296 1.00 0.41 C ATOM 1235 C SER A 76 -10.670 -12.752 8.325 1.00 0.39 C ATOM 1236 O SER A 76 -10.633 -11.862 7.499 1.00 0.37 O ATOM 1237 CB SER A 76 -12.343 -14.344 9.286 1.00 0.51 C ATOM 1238 OG SER A 76 -13.174 -14.550 8.154 1.00 0.54 O ATOM 0 H SER A 76 -13.294 -12.131 7.939 1.00 0.38 H new ATOM 0 HA SER A 76 -11.507 -12.641 10.301 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.499 -15.033 9.261 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.898 -14.553 10.200 1.00 0.51 H new ATOM 0 HG SER A 76 -14.017 -14.065 8.275 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.707 -13.613 8.444 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.509 -13.544 7.567 1.00 0.44 C ATOM 1246 C PHE A 77 -8.881 -13.776 6.127 1.00 0.48 C ATOM 1247 O PHE A 77 -8.646 -12.957 5.287 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.529 -14.632 8.007 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.332 -14.709 7.072 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.569 -13.565 6.792 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.975 -15.940 6.500 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.453 -13.655 5.942 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.866 -16.025 5.651 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.106 -14.885 5.373 1.00 0.90 C ATOM 0 H PHE A 77 -9.697 -14.375 9.122 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.062 -12.554 7.653 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.188 -14.428 9.022 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.038 -15.596 8.029 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.839 -12.615 7.230 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.558 -16.824 6.716 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.864 -12.775 5.728 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.597 -16.973 5.210 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.250 -14.954 4.718 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.447 -14.886 5.843 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.825 -15.187 4.434 1.00 0.56 C ATOM 1266 C GLU A 78 -10.557 -13.986 3.829 1.00 0.53 C ATOM 1267 O GLU A 78 -10.337 -13.623 2.692 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.728 -16.446 4.422 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.123 -17.538 3.532 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.113 -18.697 3.401 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.127 -18.513 2.749 1.00 1.04 O ATOM 1272 OE2 GLU A 78 -10.840 -19.748 3.956 1.00 1.45 O ATOM 0 H GLU A 78 -9.673 -15.615 6.520 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.935 -15.379 3.835 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.849 -16.823 5.438 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.722 -16.183 4.059 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.890 -17.132 2.548 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.186 -17.893 3.960 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.418 -13.370 4.578 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.162 -12.216 4.060 1.00 0.45 C ATOM 1281 C GLN A 79 -11.210 -11.054 3.800 1.00 0.40 C ATOM 1282 O GLN A 79 -11.439 -10.236 2.931 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.200 -11.866 5.109 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.988 -13.135 5.437 1.00 0.49 C ATOM 1285 CD GLN A 79 -15.189 -12.792 6.316 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.513 -13.521 7.233 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.873 -11.708 6.071 1.00 0.45 N ATOM 0 H GLN A 79 -11.636 -13.627 5.541 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.648 -12.440 3.110 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.719 -11.474 6.005 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.868 -11.088 4.739 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.325 -13.612 4.517 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.345 -13.850 5.949 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.601 -11.096 5.301 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.680 -11.472 6.649 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.127 -10.989 4.516 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.151 -9.898 4.271 1.00 0.38 C ATOM 1298 C LYS A 80 -8.316 -10.285 3.051 1.00 0.39 C ATOM 1299 O LYS A 80 -8.165 -9.522 2.117 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.246 -9.733 5.494 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.005 -8.993 6.598 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.248 -9.135 7.920 1.00 0.51 C ATOM 1303 CE LYS A 80 -9.008 -8.398 9.025 1.00 0.51 C ATOM 1304 NZ LYS A 80 -10.402 -8.919 9.101 1.00 1.03 N ATOM 0 H LYS A 80 -9.876 -11.642 5.258 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.666 -8.954 4.093 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.922 -10.710 5.853 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.348 -9.179 5.222 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.111 -7.940 6.338 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -10.012 -9.399 6.697 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -8.140 -10.188 8.178 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.242 -8.727 7.821 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.504 -8.536 9.982 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.019 -7.327 8.822 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -11.069 -8.165 8.840 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -10.510 -9.719 8.445 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -10.601 -9.237 10.071 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.787 -11.482 3.048 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.978 -11.947 1.889 1.00 0.47 C ATOM 1320 C VAL A 81 -7.790 -11.725 0.623 1.00 0.45 C ATOM 1321 O VAL A 81 -7.255 -11.555 -0.450 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.680 -13.442 2.032 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.748 -13.892 0.904 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.009 -13.706 3.380 1.00 0.56 C ATOM 0 H VAL A 81 -7.883 -12.159 3.805 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.038 -11.396 1.847 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.614 -14.000 1.976 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.538 -14.956 1.009 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.227 -13.709 -0.058 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.815 -13.331 0.957 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.798 -14.771 3.479 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.077 -13.144 3.439 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.673 -13.391 4.185 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.085 -11.730 0.748 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.947 -11.517 -0.442 1.00 0.44 C ATOM 1336 C LEU A 82 -9.924 -10.049 -0.797 1.00 0.38 C ATOM 1337 O LEU A 82 -9.529 -9.682 -1.866 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.378 -11.959 -0.100 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.204 -12.264 -1.364 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -12.036 -11.161 -2.413 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -11.788 -13.613 -1.972 1.00 0.54 C ATOM 0 H LEU A 82 -9.584 -11.873 1.626 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.586 -12.098 -1.290 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.342 -12.846 0.533 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.872 -11.176 0.476 1.00 0.47 H new ATOM 0 HG LEU A 82 -13.252 -12.310 -1.067 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.630 -11.403 -3.294 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -12.372 -10.211 -1.999 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -10.986 -11.083 -2.694 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -12.383 -13.809 -2.864 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -10.732 -13.581 -2.241 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -11.953 -14.407 -1.243 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.348 -9.212 0.085 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.351 -7.758 -0.222 1.00 0.32 C ATOM 1355 C ASN A 83 -9.016 -7.357 -0.877 1.00 0.31 C ATOM 1356 O ASN A 83 -8.962 -6.445 -1.676 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.570 -6.966 1.085 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.446 -5.739 0.814 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -10.988 -4.616 0.887 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.696 -5.918 0.495 1.00 0.36 N ATOM 0 H ASN A 83 -10.695 -9.464 1.010 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.158 -7.530 -0.919 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -11.044 -7.604 1.831 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.610 -6.654 1.496 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.294 -5.114 0.305 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.077 -6.862 0.435 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.940 -8.043 -0.568 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.627 -7.681 -1.207 1.00 0.37 C ATOM 1369 C VAL A 84 -6.482 -8.404 -2.541 1.00 0.39 C ATOM 1370 O VAL A 84 -5.942 -7.868 -3.482 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.446 -8.024 -0.289 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.154 -7.510 -0.931 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.651 -7.338 1.070 1.00 0.40 C ATOM 0 H VAL A 84 -7.910 -8.825 0.087 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.618 -6.604 -1.377 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.382 -9.103 -0.147 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.308 -7.748 -0.287 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.016 -7.985 -1.902 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.217 -6.430 -1.062 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.816 -7.577 1.728 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.704 -6.259 0.928 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.579 -7.691 1.519 1.00 0.40 H new ATOM 1383 N SER A 85 -6.971 -9.603 -2.644 1.00 0.41 N ATOM 1384 CA SER A 85 -6.871 -10.326 -3.940 1.00 0.46 C ATOM 1385 C SER A 85 -7.714 -9.551 -4.950 1.00 0.42 C ATOM 1386 O SER A 85 -7.486 -9.562 -6.142 1.00 0.45 O ATOM 1387 CB SER A 85 -7.427 -11.743 -3.784 1.00 0.50 C ATOM 1388 OG SER A 85 -6.807 -12.371 -2.670 1.00 0.53 O ATOM 0 H SER A 85 -7.434 -10.114 -1.892 1.00 0.41 H new ATOM 0 HA SER A 85 -5.834 -10.397 -4.269 1.00 0.46 H new ATOM 0 HB2 SER A 85 -8.507 -11.709 -3.642 1.00 0.50 H new ATOM 0 HB3 SER A 85 -7.243 -12.320 -4.690 1.00 0.50 H new ATOM 0 HG SER A 85 -7.334 -12.198 -1.862 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.694 -8.876 -4.439 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.615 -8.072 -5.270 1.00 0.36 C ATOM 1396 C PHE A 86 -8.890 -6.815 -5.735 1.00 0.34 C ATOM 1397 O PHE A 86 -8.812 -6.511 -6.903 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.806 -7.692 -4.396 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.650 -6.615 -5.039 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.847 -6.588 -6.426 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.265 -5.657 -4.228 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.661 -5.601 -6.995 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.072 -4.667 -4.796 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.272 -4.640 -6.179 1.00 0.32 C ATOM 0 H PHE A 86 -8.901 -8.848 -3.441 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.950 -8.630 -6.144 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.419 -8.574 -4.213 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.450 -7.345 -3.426 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.372 -7.327 -7.055 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.116 -5.682 -3.159 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.818 -5.581 -8.063 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.540 -3.924 -4.167 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.898 -3.878 -6.619 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.337 -6.083 -4.823 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.589 -4.865 -5.229 1.00 0.33 C ATOM 1416 C ALA A 87 -6.569 -5.306 -6.276 1.00 0.38 C ATOM 1417 O ALA A 87 -6.344 -4.649 -7.264 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.871 -4.266 -4.017 1.00 0.35 C ATOM 0 H ALA A 87 -8.367 -6.269 -3.820 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.260 -4.106 -5.631 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.325 -3.373 -4.322 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.604 -4.000 -3.255 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.173 -4.997 -3.610 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.987 -6.452 -6.058 1.00 0.41 N ATOM 1425 CA PHE A 88 -5.018 -7.026 -6.979 1.00 0.48 C ATOM 1426 C PHE A 88 -5.734 -7.358 -8.289 1.00 0.48 C ATOM 1427 O PHE A 88 -5.140 -7.444 -9.336 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.495 -8.303 -6.300 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.932 -9.272 -7.305 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.191 -8.782 -8.360 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -4.164 -10.647 -7.181 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.665 -9.656 -9.320 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -3.640 -11.530 -8.132 1.00 0.73 C ATOM 1434 CZ PHE A 88 -2.889 -11.034 -9.204 1.00 0.74 C ATOM 0 H PHE A 88 -6.166 -7.026 -5.234 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.194 -6.349 -7.205 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.725 -8.041 -5.575 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.304 -8.780 -5.747 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -3.016 -7.720 -8.446 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -4.746 -11.025 -6.354 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.089 -9.269 -10.147 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -3.815 -12.592 -8.039 1.00 0.73 H new ATOM 0 HZ PHE A 88 -2.483 -11.712 -9.940 1.00 0.74 H new ATOM 1444 N GLU A 89 -7.014 -7.565 -8.236 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.747 -7.912 -9.490 1.00 0.46 C ATOM 1446 C GLU A 89 -7.981 -6.645 -10.327 1.00 0.43 C ATOM 1447 O GLU A 89 -7.631 -6.589 -11.496 1.00 0.47 O ATOM 1448 CB GLU A 89 -9.080 -8.591 -9.119 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.858 -10.096 -8.939 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.777 -10.774 -10.309 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.790 -10.064 -11.302 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -8.703 -11.991 -10.342 1.00 0.63 O ATOM 0 H GLU A 89 -7.585 -7.511 -7.392 1.00 0.44 H new ATOM 0 HA GLU A 89 -7.157 -8.604 -10.091 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.476 -8.159 -8.200 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.820 -8.413 -9.899 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.939 -10.273 -8.380 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.673 -10.526 -8.357 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.539 -5.620 -9.749 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.760 -4.374 -10.535 1.00 0.37 C ATOM 1461 C LEU A 90 -7.410 -3.748 -10.841 1.00 0.41 C ATOM 1462 O LEU A 90 -7.285 -2.901 -11.703 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.606 -3.377 -9.738 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.916 -4.032 -9.284 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.803 -2.979 -8.597 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -11.658 -4.621 -10.497 1.00 0.36 C ATOM 0 H LEU A 90 -8.849 -5.589 -8.778 1.00 0.38 H new ATOM 0 HA LEU A 90 -9.287 -4.621 -11.456 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -9.047 -3.028 -8.870 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.823 -2.502 -10.351 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.691 -4.835 -8.582 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.735 -3.443 -8.274 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.281 -2.572 -7.731 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -12.023 -2.175 -9.299 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.587 -5.084 -10.165 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.883 -3.826 -11.208 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -11.030 -5.371 -10.978 1.00 0.36 H new ATOM 1478 N MET A 91 -6.393 -4.160 -10.143 1.00 0.43 N ATOM 1479 CA MET A 91 -5.043 -3.583 -10.401 1.00 0.49 C ATOM 1480 C MET A 91 -4.426 -4.336 -11.565 1.00 0.54 C ATOM 1481 O MET A 91 -3.994 -3.753 -12.538 1.00 0.58 O ATOM 1482 CB MET A 91 -4.169 -3.730 -9.157 1.00 0.52 C ATOM 1483 CG MET A 91 -4.553 -2.663 -8.125 1.00 0.48 C ATOM 1484 SD MET A 91 -3.838 -1.071 -8.606 1.00 0.55 S ATOM 1485 CE MET A 91 -4.635 -0.070 -7.326 1.00 0.60 C ATOM 0 H MET A 91 -6.434 -4.867 -9.409 1.00 0.43 H new ATOM 0 HA MET A 91 -5.122 -2.522 -10.640 1.00 0.49 H new ATOM 0 HB2 MET A 91 -4.294 -4.725 -8.729 1.00 0.52 H new ATOM 0 HB3 MET A 91 -3.118 -3.628 -9.426 1.00 0.52 H new ATOM 0 HG2 MET A 91 -5.638 -2.581 -8.058 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.193 -2.951 -7.137 1.00 0.48 H new ATOM 0 HE1 MET A 91 -4.329 0.971 -7.435 1.00 0.60 H new ATOM 0 HE2 MET A 91 -5.718 -0.143 -7.429 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.339 -0.434 -6.342 1.00 0.60 H new ATOM 1495 N GLN A 92 -4.419 -5.636 -11.485 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.871 -6.457 -12.598 1.00 0.62 C ATOM 1497 C GLN A 92 -4.471 -5.928 -13.892 1.00 0.61 C ATOM 1498 O GLN A 92 -3.853 -5.942 -14.937 1.00 0.69 O ATOM 1499 CB GLN A 92 -4.269 -7.923 -12.406 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.546 -8.789 -13.439 1.00 0.66 C ATOM 1501 CD GLN A 92 -4.093 -10.216 -13.384 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -4.287 -10.844 -14.406 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -4.352 -10.760 -12.226 1.00 0.67 N ATOM 0 H GLN A 92 -4.772 -6.169 -10.690 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.783 -6.395 -12.622 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -4.013 -8.251 -11.398 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -5.348 -8.035 -12.514 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -3.684 -8.374 -14.437 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.474 -8.792 -13.240 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -4.189 -10.234 -11.368 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -4.717 -11.711 -12.180 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.675 -5.422 -13.810 1.00 0.54 N ATOM 1513 CA ASP A 93 -6.320 -4.846 -15.018 1.00 0.54 C ATOM 1514 C ASP A 93 -5.819 -3.415 -15.168 1.00 0.55 C ATOM 1515 O ASP A 93 -5.291 -3.025 -16.190 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.849 -4.860 -14.828 1.00 0.50 C ATOM 1517 CG ASP A 93 -8.552 -5.102 -16.169 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -8.804 -4.133 -16.866 1.00 0.80 O ATOM 1519 OD2 ASP A 93 -8.827 -6.251 -16.473 1.00 0.75 O ATOM 0 H ASP A 93 -6.235 -5.385 -12.958 1.00 0.54 H new ATOM 0 HA ASP A 93 -6.076 -5.423 -15.910 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -8.127 -5.640 -14.119 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -8.178 -3.911 -14.404 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.970 -2.640 -14.137 1.00 0.54 N ATOM 1525 CA GLY A 94 -5.494 -1.234 -14.186 1.00 0.61 C ATOM 1526 C GLY A 94 -3.964 -1.223 -14.253 1.00 0.73 C ATOM 1527 O GLY A 94 -3.344 -0.182 -14.165 1.00 0.82 O ATOM 0 H GLY A 94 -6.405 -2.920 -13.258 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.912 -0.726 -15.055 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.835 -0.691 -13.305 1.00 0.61 H new ATOM 1531 N GLY A 95 -3.351 -2.377 -14.416 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.848 -2.440 -14.500 1.00 0.94 C ATOM 1533 C GLY A 95 -1.276 -3.232 -13.315 1.00 0.92 C ATOM 1534 O GLY A 95 -1.755 -4.295 -12.983 1.00 0.91 O ATOM 0 H GLY A 95 -3.824 -3.277 -14.495 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.550 -2.910 -15.437 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -1.435 -1.431 -14.504 1.00 0.94 H new ATOM 1538 N LEU A 96 -0.242 -2.719 -12.687 1.00 0.92 N ATOM 1539 CA LEU A 96 0.394 -3.418 -11.525 1.00 0.91 C ATOM 1540 C LEU A 96 0.957 -4.780 -11.944 1.00 0.94 C ATOM 1541 O LEU A 96 1.885 -5.285 -11.347 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.634 -3.612 -10.412 1.00 0.89 C ATOM 1543 CG LEU A 96 0.073 -4.043 -9.113 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.886 -2.873 -8.519 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.977 -4.509 -8.094 1.00 0.86 C ATOM 0 H LEU A 96 0.194 -1.831 -12.936 1.00 0.92 H new ATOM 0 HA LEU A 96 1.216 -2.800 -11.164 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -1.183 -2.685 -10.247 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -1.364 -4.366 -10.707 1.00 0.89 H new ATOM 0 HG LEU A 96 0.758 -4.860 -9.341 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.377 -3.200 -7.602 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.639 -2.551 -9.239 1.00 0.93 H new ATOM 0 HD13 LEU A 96 0.217 -2.042 -8.296 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.480 -4.815 -7.173 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.665 -3.691 -7.880 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -1.532 -5.353 -8.504 1.00 0.86 H new ATOM 1557 N GLU A 97 0.402 -5.375 -12.957 1.00 0.96 N ATOM 1558 CA GLU A 97 0.895 -6.704 -13.417 1.00 1.00 C ATOM 1559 C GLU A 97 0.763 -7.719 -12.280 1.00 0.99 C ATOM 1560 O GLU A 97 -0.143 -7.647 -11.475 1.00 0.99 O ATOM 1561 CB GLU A 97 2.362 -6.594 -13.847 1.00 1.05 C ATOM 1562 CG GLU A 97 2.553 -5.330 -14.688 1.00 1.13 C ATOM 1563 CD GLU A 97 3.950 -5.338 -15.312 1.00 1.25 C ATOM 1564 OE1 GLU A 97 4.902 -5.556 -14.582 1.00 1.37 O ATOM 1565 OE2 GLU A 97 4.043 -5.125 -16.510 1.00 1.27 O ATOM 0 H GLU A 97 -0.379 -4.997 -13.493 1.00 0.96 H new ATOM 0 HA GLU A 97 0.299 -7.035 -14.268 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.008 -6.561 -12.970 1.00 1.05 H new ATOM 0 HB3 GLU A 97 2.651 -7.474 -14.422 1.00 1.05 H new ATOM 0 HG2 GLU A 97 1.794 -5.282 -15.469 1.00 1.13 H new ATOM 0 HG3 GLU A 97 2.426 -4.444 -14.066 1.00 1.13 H new ATOM 1572 N LYS A 98 1.656 -8.670 -12.212 1.00 1.02 N ATOM 1573 CA LYS A 98 1.581 -9.699 -11.131 1.00 1.01 C ATOM 1574 C LYS A 98 2.417 -9.236 -9.915 1.00 1.00 C ATOM 1575 O LYS A 98 3.623 -9.145 -10.032 1.00 1.04 O ATOM 1576 CB LYS A 98 2.174 -11.008 -11.659 1.00 1.08 C ATOM 1577 CG LYS A 98 1.342 -11.507 -12.842 1.00 1.09 C ATOM 1578 CD LYS A 98 1.791 -12.920 -13.219 1.00 1.13 C ATOM 1579 CE LYS A 98 1.001 -13.398 -14.438 1.00 1.16 C ATOM 1580 NZ LYS A 98 1.411 -12.611 -15.635 1.00 1.18 N ATOM 0 H LYS A 98 2.436 -8.780 -12.859 1.00 1.02 H new ATOM 0 HA LYS A 98 0.542 -9.840 -10.832 1.00 1.01 H new ATOM 0 HB2 LYS A 98 3.208 -10.852 -11.968 1.00 1.08 H new ATOM 0 HB3 LYS A 98 2.187 -11.758 -10.868 1.00 1.08 H new ATOM 0 HG2 LYS A 98 0.283 -11.507 -12.582 1.00 1.09 H new ATOM 0 HG3 LYS A 98 1.461 -10.836 -13.693 1.00 1.09 H new ATOM 0 HD2 LYS A 98 2.859 -12.927 -13.439 1.00 1.13 H new ATOM 0 HD3 LYS A 98 1.633 -13.599 -12.381 1.00 1.13 H new ATOM 0 HE2 LYS A 98 1.181 -14.459 -14.608 1.00 1.16 H new ATOM 0 HE3 LYS A 98 -0.068 -13.281 -14.261 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 1.151 -13.131 -16.498 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 0.928 -11.690 -15.627 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 2.440 -12.463 -15.617 1.00 1.18 H new ATOM 1594 N PRO A 99 1.796 -8.956 -8.773 1.00 0.93 N ATOM 1595 CA PRO A 99 2.564 -8.519 -7.595 1.00 0.91 C ATOM 1596 C PRO A 99 3.609 -9.584 -7.246 1.00 0.98 C ATOM 1597 O PRO A 99 3.502 -10.728 -7.644 1.00 1.02 O ATOM 1598 CB PRO A 99 1.519 -8.346 -6.467 1.00 0.84 C ATOM 1599 CG PRO A 99 0.118 -8.596 -7.092 1.00 0.82 C ATOM 1600 CD PRO A 99 0.334 -9.042 -8.556 1.00 0.88 C ATOM 0 HA PRO A 99 3.108 -7.589 -7.761 1.00 0.91 H new ATOM 0 HB2 PRO A 99 1.709 -9.049 -5.656 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.576 -7.345 -6.040 1.00 0.84 H new ATOM 0 HG2 PRO A 99 -0.420 -9.362 -6.533 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -0.486 -7.690 -7.053 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -0.029 -10.057 -8.717 1.00 0.88 H new ATOM 0 HD3 PRO A 99 -0.206 -8.397 -9.249 1.00 0.88 H new ATOM 1608 N LYS A 100 4.624 -9.212 -6.520 1.00 0.98 N ATOM 1609 CA LYS A 100 5.683 -10.197 -6.160 1.00 1.05 C ATOM 1610 C LYS A 100 5.184 -11.127 -5.022 1.00 1.02 C ATOM 1611 O LYS A 100 5.142 -12.326 -5.211 1.00 1.04 O ATOM 1612 CB LYS A 100 7.019 -9.479 -5.784 1.00 1.11 C ATOM 1613 CG LYS A 100 6.917 -7.938 -5.920 1.00 1.18 C ATOM 1614 CD LYS A 100 6.920 -7.541 -7.407 1.00 1.25 C ATOM 1615 CE LYS A 100 8.327 -7.696 -8.015 1.00 1.22 C ATOM 1616 NZ LYS A 100 8.467 -9.061 -8.599 1.00 1.30 N ATOM 0 H LYS A 100 4.767 -8.269 -6.160 1.00 0.98 H new ATOM 0 HA LYS A 100 5.894 -10.817 -7.031 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.290 -9.734 -4.760 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.819 -9.846 -6.426 1.00 1.11 H new ATOM 0 HG2 LYS A 100 6.005 -7.582 -5.442 1.00 1.18 H new ATOM 0 HG3 LYS A 100 7.753 -7.463 -5.406 1.00 1.18 H new ATOM 0 HD2 LYS A 100 6.212 -8.163 -7.955 1.00 1.25 H new ATOM 0 HD3 LYS A 100 6.586 -6.509 -7.513 1.00 1.25 H new ATOM 0 HE2 LYS A 100 8.488 -6.941 -8.785 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.086 -7.537 -7.249 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 9.032 -9.656 -7.960 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 7.525 -9.484 -8.723 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 8.942 -8.997 -9.522 1.00 1.30 H new ATOM 1630 N PRO A 101 4.809 -10.574 -3.882 1.00 0.97 N ATOM 1631 CA PRO A 101 4.309 -11.389 -2.753 1.00 0.95 C ATOM 1632 C PRO A 101 2.884 -11.881 -3.068 1.00 0.89 C ATOM 1633 O PRO A 101 2.488 -11.924 -4.216 1.00 0.89 O ATOM 1634 CB PRO A 101 4.350 -10.417 -1.566 1.00 0.92 C ATOM 1635 CG PRO A 101 4.370 -8.997 -2.147 1.00 0.92 C ATOM 1636 CD PRO A 101 4.851 -9.124 -3.605 1.00 0.95 C ATOM 0 HA PRO A 101 4.892 -12.288 -2.551 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.482 -10.558 -0.923 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.233 -10.595 -0.953 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.378 -8.547 -2.104 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.037 -8.353 -1.574 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.204 -8.571 -4.286 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.858 -8.725 -3.727 1.00 0.95 H new ATOM 1644 N ARG A 102 2.122 -12.276 -2.071 1.00 0.84 N ATOM 1645 CA ARG A 102 0.731 -12.795 -2.321 1.00 0.79 C ATOM 1646 C ARG A 102 -0.284 -12.012 -1.453 1.00 0.71 C ATOM 1647 O ARG A 102 0.063 -11.594 -0.372 1.00 0.71 O ATOM 1648 CB ARG A 102 0.701 -14.278 -1.925 1.00 0.83 C ATOM 1649 CG ARG A 102 1.983 -14.950 -2.411 1.00 0.92 C ATOM 1650 CD ARG A 102 1.886 -16.460 -2.185 1.00 0.96 C ATOM 1651 NE ARG A 102 1.816 -16.740 -0.723 1.00 1.05 N ATOM 1652 CZ ARG A 102 1.426 -17.912 -0.302 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.095 -18.837 -1.161 1.00 1.09 N ATOM 1654 NH2 ARG A 102 1.367 -18.159 0.978 1.00 1.18 N ATOM 0 H ARG A 102 2.403 -12.262 -1.091 1.00 0.84 H new ATOM 0 HA ARG A 102 0.466 -12.672 -3.371 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.611 -14.377 -0.843 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.169 -14.767 -2.363 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.138 -14.739 -3.469 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.843 -14.546 -1.876 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.003 -16.857 -2.685 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.751 -16.960 -2.621 1.00 0.96 H new ATOM 0 HE ARG A 102 2.073 -16.016 -0.052 1.00 1.05 H new ATOM 0 HH11 ARG A 102 1.141 -18.644 -2.161 1.00 1.09 H new ATOM 0 HH12 ARG A 102 0.790 -19.753 -0.832 1.00 1.09 H new ATOM 0 HH21 ARG A 102 1.626 -17.436 1.649 1.00 1.18 H new ATOM 0 HH22 ARG A 102 1.062 -19.075 1.307 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.516 -11.850 -1.929 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.567 -11.126 -1.176 1.00 0.59 C ATOM 1670 C PRO A 103 -2.479 -11.435 0.321 1.00 0.59 C ATOM 1671 O PRO A 103 -2.802 -10.613 1.155 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.881 -11.631 -1.797 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.513 -12.194 -3.196 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.976 -12.379 -3.227 1.00 0.67 C ATOM 0 HA PRO A 103 -2.474 -10.042 -1.246 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.334 -12.402 -1.174 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.607 -10.822 -1.882 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.018 -13.143 -3.373 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.834 -11.510 -3.982 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.704 -13.428 -3.347 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.527 -11.836 -4.059 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.026 -12.603 0.664 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.893 -12.957 2.100 1.00 0.65 C ATOM 1684 C GLU A 104 -0.696 -12.207 2.664 1.00 0.67 C ATOM 1685 O GLU A 104 -0.807 -11.419 3.578 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.645 -14.461 2.227 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.875 -15.224 1.741 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.615 -16.728 1.841 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.728 -17.108 2.588 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.308 -17.475 1.169 1.00 0.82 O ATOM 0 H GLU A 104 -1.741 -13.331 0.009 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.801 -12.691 2.642 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.772 -14.747 1.641 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.431 -14.719 3.264 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.744 -14.954 2.341 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.102 -14.951 0.710 1.00 0.71 H new ATOM 1697 N ASP A 105 0.443 -12.450 2.088 1.00 0.73 N ATOM 1698 CA ASP A 105 1.699 -11.789 2.517 1.00 0.78 C ATOM 1699 C ASP A 105 1.437 -10.304 2.787 1.00 0.73 C ATOM 1700 O ASP A 105 2.118 -9.675 3.565 1.00 0.77 O ATOM 1701 CB ASP A 105 2.699 -11.963 1.377 1.00 0.83 C ATOM 1702 CG ASP A 105 3.091 -13.438 1.266 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.441 -14.252 1.900 1.00 0.94 O ATOM 1704 OD2 ASP A 105 4.035 -13.727 0.548 1.00 0.86 O ATOM 0 H ASP A 105 0.557 -13.102 1.312 1.00 0.73 H new ATOM 0 HA ASP A 105 2.087 -12.227 3.437 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.262 -11.620 0.439 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.584 -11.353 1.558 1.00 0.83 H new ATOM 1709 N ILE A 106 0.434 -9.748 2.169 1.00 0.67 N ATOM 1710 CA ILE A 106 0.105 -8.309 2.415 1.00 0.64 C ATOM 1711 C ILE A 106 -0.757 -8.248 3.682 1.00 0.59 C ATOM 1712 O ILE A 106 -0.324 -7.788 4.720 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.678 -7.709 1.214 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.407 -8.508 -0.067 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.267 -6.252 0.983 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.080 -8.450 -0.438 1.00 0.72 C ATOM 0 H ILE A 106 -0.175 -10.224 1.503 1.00 0.67 H new ATOM 0 HA ILE A 106 1.020 -7.729 2.535 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.740 -7.759 1.453 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.711 -9.545 0.074 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.007 -8.108 -0.885 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.824 -5.846 0.139 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.485 -5.667 1.876 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.801 -6.205 0.769 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.250 -9.023 -1.349 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.374 -7.413 -0.601 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.674 -8.872 0.372 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.972 -8.737 3.602 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.868 -8.744 4.799 1.00 0.51 C ATOM 1730 C VAL A 107 -2.071 -9.239 6.013 1.00 0.53 C ATOM 1731 O VAL A 107 -2.385 -8.940 7.148 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.998 -9.758 4.542 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.774 -10.086 5.835 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.952 -9.215 3.483 1.00 0.46 C ATOM 0 H VAL A 107 -2.382 -9.133 2.756 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.262 -7.744 4.979 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.544 -10.682 4.184 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.563 -10.805 5.613 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.092 -10.512 6.571 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.216 -9.174 6.235 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.749 -9.938 3.306 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.384 -8.276 3.829 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.406 -9.043 2.555 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.071 -10.040 5.768 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.266 -10.624 6.881 1.00 0.63 C ATOM 1746 C ASN A 108 0.343 -9.518 7.755 1.00 0.63 C ATOM 1747 O ASN A 108 1.173 -9.782 8.602 1.00 0.66 O ATOM 1748 CB ASN A 108 0.864 -11.485 6.275 1.00 0.69 C ATOM 1749 CG ASN A 108 1.249 -12.607 7.246 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.305 -12.399 8.441 1.00 1.33 O ATOM 1751 ND2 ASN A 108 1.517 -13.794 6.776 1.00 1.35 N ATOM 0 H ASN A 108 -0.773 -10.319 4.833 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.915 -11.235 7.508 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.538 -11.911 5.326 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.733 -10.862 6.064 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.774 -14.549 7.413 1.00 1.35 H new ATOM 0 HD22 ASN A 108 1.470 -13.968 5.772 1.00 1.35 H new ATOM 1758 N CYS A 109 -0.059 -8.292 7.569 1.00 0.61 N ATOM 1759 CA CYS A 109 0.500 -7.191 8.401 1.00 0.63 C ATOM 1760 C CYS A 109 2.028 -7.231 8.356 1.00 0.70 C ATOM 1761 O CYS A 109 2.693 -6.453 9.011 1.00 0.85 O ATOM 1762 CB CYS A 109 0.026 -7.355 9.848 1.00 0.62 C ATOM 1763 SG CYS A 109 0.694 -6.010 10.858 1.00 0.66 S ATOM 0 H CYS A 109 -0.751 -8.005 6.877 1.00 0.61 H new ATOM 0 HA CYS A 109 0.155 -6.234 8.010 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -1.063 -7.348 9.888 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.353 -8.317 10.242 1.00 0.62 H new ATOM 0 HG CYS A 109 1.862 -5.665 10.404 1.00 0.66 H new ATOM 1769 N ASP A 110 2.599 -8.114 7.579 1.00 0.72 N ATOM 1770 CA ASP A 110 4.071 -8.165 7.499 1.00 0.79 C ATOM 1771 C ASP A 110 4.529 -6.960 6.700 1.00 0.81 C ATOM 1772 O ASP A 110 3.773 -6.371 5.957 1.00 0.80 O ATOM 1773 CB ASP A 110 4.532 -9.460 6.817 1.00 0.84 C ATOM 1774 CG ASP A 110 3.963 -9.547 5.400 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.731 -8.509 4.804 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.775 -10.658 4.930 1.00 0.98 O ATOM 0 H ASP A 110 2.105 -8.795 7.003 1.00 0.72 H new ATOM 0 HA ASP A 110 4.503 -8.149 8.500 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.621 -9.492 6.781 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.207 -10.322 7.400 1.00 0.84 H new ATOM 1781 N LEU A 111 5.752 -6.586 6.851 1.00 0.89 N ATOM 1782 CA LEU A 111 6.280 -5.418 6.117 1.00 0.93 C ATOM 1783 C LEU A 111 7.004 -5.906 4.869 1.00 0.97 C ATOM 1784 O LEU A 111 6.714 -5.512 3.782 1.00 0.96 O ATOM 1785 CB LEU A 111 7.263 -4.680 7.026 1.00 1.02 C ATOM 1786 CG LEU A 111 6.499 -3.855 8.066 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.722 -4.787 9.005 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.497 -3.025 8.881 1.00 1.12 C ATOM 0 H LEU A 111 6.425 -7.047 7.464 1.00 0.89 H new ATOM 0 HA LEU A 111 5.470 -4.749 5.827 1.00 0.93 H new ATOM 0 HB2 LEU A 111 7.916 -5.396 7.526 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.902 -4.028 6.431 1.00 1.02 H new ATOM 0 HG LEU A 111 5.796 -3.195 7.558 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.181 -4.193 9.742 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.014 -5.379 8.426 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.418 -5.452 9.516 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.959 -2.435 9.623 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.198 -3.691 9.385 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.045 -2.358 8.215 1.00 1.12 H new ATOM 1800 N LYS A 112 7.949 -6.768 5.054 1.00 1.00 N ATOM 1801 CA LYS A 112 8.769 -7.316 3.932 1.00 1.04 C ATOM 1802 C LYS A 112 8.032 -7.345 2.581 1.00 1.02 C ATOM 1803 O LYS A 112 8.279 -6.553 1.681 1.00 1.04 O ATOM 1804 CB LYS A 112 9.083 -8.756 4.335 1.00 1.06 C ATOM 1805 CG LYS A 112 9.912 -9.447 3.253 1.00 1.12 C ATOM 1806 CD LYS A 112 10.666 -10.639 3.856 1.00 1.15 C ATOM 1807 CE LYS A 112 11.148 -11.564 2.737 1.00 1.20 C ATOM 1808 NZ LYS A 112 9.974 -12.074 1.974 1.00 1.17 N ATOM 0 H LYS A 112 8.204 -7.135 5.971 1.00 1.00 H new ATOM 0 HA LYS A 112 9.644 -6.683 3.786 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.627 -8.765 5.279 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.155 -9.305 4.497 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.263 -9.787 2.446 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.619 -8.741 2.817 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.516 -10.286 4.440 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.015 -11.186 4.538 1.00 1.15 H new ATOM 0 HE2 LYS A 112 11.822 -11.026 2.071 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.712 -12.397 3.157 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 10.190 -13.018 1.595 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.149 -12.134 2.605 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 9.762 -11.426 1.189 1.00 1.17 H new ATOM 1822 N SER A 113 7.159 -8.270 2.431 1.00 0.98 N ATOM 1823 CA SER A 113 6.416 -8.416 1.153 1.00 0.96 C ATOM 1824 C SER A 113 5.612 -7.142 0.831 1.00 0.92 C ATOM 1825 O SER A 113 5.792 -6.489 -0.188 1.00 0.94 O ATOM 1826 CB SER A 113 5.454 -9.577 1.380 1.00 0.92 C ATOM 1827 OG SER A 113 5.114 -9.628 2.759 1.00 0.90 O ATOM 0 H SER A 113 6.914 -8.953 3.148 1.00 0.98 H new ATOM 0 HA SER A 113 7.096 -8.587 0.319 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.557 -9.447 0.775 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.915 -10.515 1.070 1.00 0.92 H new ATOM 0 HG SER A 113 4.140 -9.587 2.857 1.00 0.90 H new ATOM 1833 N THR A 114 4.721 -6.818 1.706 1.00 0.88 N ATOM 1834 CA THR A 114 3.851 -5.621 1.539 1.00 0.85 C ATOM 1835 C THR A 114 4.682 -4.431 1.030 1.00 0.89 C ATOM 1836 O THR A 114 4.191 -3.573 0.325 1.00 0.89 O ATOM 1837 CB THR A 114 3.194 -5.323 2.918 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.802 -5.577 2.834 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.398 -3.868 3.356 1.00 0.84 C ATOM 0 H THR A 114 4.548 -7.346 2.561 1.00 0.88 H new ATOM 0 HA THR A 114 3.072 -5.800 0.798 1.00 0.85 H new ATOM 0 HB THR A 114 3.671 -5.969 3.655 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.499 -6.012 3.658 1.00 0.76 H new ATOM 0 HG21 THR A 114 2.922 -3.709 4.324 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.465 -3.659 3.438 1.00 0.84 H new ATOM 0 HG23 THR A 114 2.953 -3.200 2.618 1.00 0.84 H new ATOM 1847 N LEU A 115 5.922 -4.369 1.405 1.00 0.95 N ATOM 1848 CA LEU A 115 6.784 -3.246 0.986 1.00 1.00 C ATOM 1849 C LEU A 115 7.159 -3.419 -0.473 1.00 1.02 C ATOM 1850 O LEU A 115 7.209 -2.468 -1.216 1.00 1.02 O ATOM 1851 CB LEU A 115 8.060 -3.244 1.836 1.00 1.06 C ATOM 1852 CG LEU A 115 7.773 -2.714 3.250 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.973 -3.024 4.149 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.535 -1.194 3.222 1.00 1.06 C ATOM 0 H LEU A 115 6.381 -5.063 1.995 1.00 0.95 H new ATOM 0 HA LEU A 115 6.250 -2.305 1.120 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.464 -4.255 1.897 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.820 -2.625 1.358 1.00 1.06 H new ATOM 0 HG LEU A 115 6.876 -3.198 3.636 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.780 -2.652 5.155 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.132 -4.102 4.185 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.863 -2.539 3.748 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.334 -0.839 4.233 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.421 -0.694 2.831 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.681 -0.971 2.582 1.00 1.06 H new ATOM 1866 N ARG A 116 7.436 -4.615 -0.900 1.00 1.03 N ATOM 1867 CA ARG A 116 7.817 -4.771 -2.338 1.00 1.05 C ATOM 1868 C ARG A 116 6.668 -4.250 -3.221 1.00 1.01 C ATOM 1869 O ARG A 116 6.888 -3.593 -4.222 1.00 1.04 O ATOM 1870 CB ARG A 116 8.128 -6.251 -2.642 1.00 1.04 C ATOM 1871 CG ARG A 116 9.403 -6.367 -3.514 1.00 1.10 C ATOM 1872 CD ARG A 116 9.755 -7.842 -3.789 1.00 1.10 C ATOM 1873 NE ARG A 116 10.219 -7.961 -5.200 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.802 -9.053 -5.615 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.956 -10.060 -4.802 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.223 -9.139 -6.847 1.00 1.23 N ATOM 0 H ARG A 116 7.419 -5.469 -0.342 1.00 1.03 H new ATOM 0 HA ARG A 116 8.714 -4.191 -2.552 1.00 1.05 H new ATOM 0 HB2 ARG A 116 8.266 -6.799 -1.710 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.284 -6.708 -3.158 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.250 -5.844 -4.458 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.237 -5.879 -3.011 1.00 1.10 H new ATOM 0 HD2 ARG A 116 10.533 -8.180 -3.104 1.00 1.10 H new ATOM 0 HD3 ARG A 116 8.885 -8.477 -3.621 1.00 1.10 H new ATOM 0 HE ARG A 116 10.080 -7.184 -5.846 1.00 1.16 H new ATOM 0 HH11 ARG A 116 10.621 -9.995 -3.841 1.00 1.13 H new ATOM 0 HH12 ARG A 116 11.412 -10.913 -5.127 1.00 1.13 H new ATOM 0 HH21 ARG A 116 11.097 -8.353 -7.485 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.679 -9.992 -7.172 1.00 1.23 H new ATOM 1890 N VAL A 117 5.446 -4.533 -2.855 1.00 0.95 N ATOM 1891 CA VAL A 117 4.292 -4.051 -3.671 1.00 0.91 C ATOM 1892 C VAL A 117 4.101 -2.553 -3.482 1.00 0.92 C ATOM 1893 O VAL A 117 3.961 -1.814 -4.436 1.00 0.94 O ATOM 1894 CB VAL A 117 3.013 -4.768 -3.245 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.826 -4.219 -4.041 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.165 -6.254 -3.525 1.00 0.85 C ATOM 0 H VAL A 117 5.197 -5.076 -2.028 1.00 0.95 H new ATOM 0 HA VAL A 117 4.502 -4.263 -4.719 1.00 0.91 H new ATOM 0 HB VAL A 117 2.837 -4.606 -2.181 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.914 -4.732 -3.735 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.723 -3.151 -3.850 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.995 -4.382 -5.105 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.256 -6.776 -3.224 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.336 -6.408 -4.590 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.012 -6.646 -2.961 1.00 0.85 H new ATOM 1906 N LEU A 118 4.088 -2.091 -2.265 1.00 0.91 N ATOM 1907 CA LEU A 118 3.896 -0.630 -2.047 1.00 0.92 C ATOM 1908 C LEU A 118 4.929 0.109 -2.892 1.00 0.98 C ATOM 1909 O LEU A 118 4.642 1.124 -3.481 1.00 1.00 O ATOM 1910 CB LEU A 118 4.057 -0.273 -0.546 1.00 0.92 C ATOM 1911 CG LEU A 118 2.698 0.055 0.109 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.992 1.219 -0.628 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.806 -1.199 0.115 1.00 0.81 C ATOM 0 H LEU A 118 4.200 -2.652 -1.421 1.00 0.91 H new ATOM 0 HA LEU A 118 2.889 -0.335 -2.343 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.523 -1.107 -0.021 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.726 0.581 -0.444 1.00 0.92 H new ATOM 0 HG LEU A 118 2.876 0.371 1.137 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.037 1.429 -0.146 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.621 2.108 -0.590 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.820 0.940 -1.668 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.848 -0.962 0.578 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.641 -1.533 -0.909 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.296 -1.992 0.680 1.00 0.81 H new ATOM 1925 N TYR A 119 6.120 -0.410 -2.985 1.00 1.03 N ATOM 1926 CA TYR A 119 7.139 0.254 -3.829 1.00 1.09 C ATOM 1927 C TYR A 119 6.566 0.350 -5.230 1.00 1.08 C ATOM 1928 O TYR A 119 6.516 1.395 -5.839 1.00 1.11 O ATOM 1929 CB TYR A 119 8.389 -0.614 -3.864 1.00 1.13 C ATOM 1930 CG TYR A 119 9.502 0.138 -4.532 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.230 1.089 -3.816 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.799 -0.118 -5.866 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.267 1.791 -4.443 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.833 0.579 -6.501 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.569 1.535 -5.788 1.00 1.34 C ATOM 1936 OH TYR A 119 12.591 2.223 -6.411 1.00 1.41 O ATOM 0 H TYR A 119 6.427 -1.261 -2.514 1.00 1.03 H new ATOM 0 HA TYR A 119 7.392 1.240 -3.440 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.680 -0.892 -2.851 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.187 -1.540 -4.403 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.994 1.283 -2.780 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.231 -0.856 -6.413 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.833 2.528 -3.892 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.063 0.381 -7.537 1.00 1.31 H new ATOM 0 HH TYR A 119 12.668 1.923 -7.341 1.00 1.41 H new ATOM 1946 N ASN A 120 6.126 -0.761 -5.724 1.00 1.06 N ATOM 1947 CA ASN A 120 5.526 -0.815 -7.082 1.00 1.05 C ATOM 1948 C ASN A 120 4.545 0.367 -7.270 1.00 1.03 C ATOM 1949 O ASN A 120 4.505 1.006 -8.310 1.00 1.05 O ATOM 1950 CB ASN A 120 4.780 -2.166 -7.202 1.00 1.01 C ATOM 1951 CG ASN A 120 4.989 -2.771 -8.596 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.070 -2.057 -9.575 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.081 -4.067 -8.726 1.00 1.06 N ATOM 0 H ASN A 120 6.156 -1.656 -5.236 1.00 1.06 H new ATOM 0 HA ASN A 120 6.293 -0.737 -7.852 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.142 -2.857 -6.441 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.716 -2.018 -7.019 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.221 -4.478 -9.649 1.00 1.06 H new ATOM 0 HD22 ASN A 120 5.013 -4.668 -7.905 1.00 1.06 H new ATOM 1960 N LEU A 121 3.756 0.664 -6.271 1.00 0.99 N ATOM 1961 CA LEU A 121 2.789 1.787 -6.397 1.00 0.97 C ATOM 1962 C LEU A 121 3.540 3.111 -6.366 1.00 1.03 C ATOM 1963 O LEU A 121 3.490 3.870 -7.303 1.00 1.05 O ATOM 1964 CB LEU A 121 1.798 1.751 -5.233 1.00 0.92 C ATOM 1965 CG LEU A 121 0.649 0.787 -5.543 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.209 -0.613 -5.799 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.310 0.738 -4.351 1.00 0.87 C ATOM 0 H LEU A 121 3.741 0.176 -5.375 1.00 0.99 H new ATOM 0 HA LEU A 121 2.250 1.688 -7.339 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.308 1.439 -4.322 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.404 2.751 -5.051 1.00 0.92 H new ATOM 0 HG LEU A 121 0.116 1.133 -6.429 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.390 -1.298 -6.019 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.894 -0.582 -6.646 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.743 -0.959 -4.914 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.128 0.052 -4.570 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.226 0.393 -3.467 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.711 1.734 -4.166 1.00 0.87 H new ATOM 1979 N PHE A 122 4.229 3.394 -5.286 1.00 1.05 N ATOM 1980 CA PHE A 122 4.983 4.677 -5.171 1.00 1.11 C ATOM 1981 C PHE A 122 5.645 4.976 -6.487 1.00 1.16 C ATOM 1982 O PHE A 122 5.867 6.099 -6.854 1.00 1.20 O ATOM 1983 CB PHE A 122 6.073 4.493 -4.093 1.00 1.14 C ATOM 1984 CG PHE A 122 6.240 5.742 -3.280 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.375 5.960 -2.228 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.263 6.654 -3.564 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.514 7.105 -1.429 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.407 7.802 -2.776 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.532 8.027 -1.706 1.00 1.27 C ATOM 0 H PHE A 122 4.300 2.783 -4.473 1.00 1.05 H new ATOM 0 HA PHE A 122 4.312 5.493 -4.905 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.807 3.662 -3.440 1.00 1.14 H new ATOM 0 HB3 PHE A 122 7.019 4.234 -4.568 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.590 5.249 -2.019 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.938 6.473 -4.387 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.839 7.275 -0.603 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.191 8.512 -2.993 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.642 8.911 -1.095 1.00 1.27 H new ATOM 1999 N THR A 123 5.938 3.960 -7.184 1.00 1.15 N ATOM 2000 CA THR A 123 6.592 4.135 -8.501 1.00 1.20 C ATOM 2001 C THR A 123 5.589 4.707 -9.496 1.00 1.18 C ATOM 2002 O THR A 123 5.850 5.684 -10.168 1.00 1.22 O ATOM 2003 CB THR A 123 7.103 2.785 -9.011 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.819 2.129 -7.974 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.026 3.007 -10.210 1.00 1.27 C ATOM 0 H THR A 123 5.758 2.994 -6.912 1.00 1.15 H new ATOM 0 HA THR A 123 7.433 4.821 -8.395 1.00 1.20 H new ATOM 0 HB THR A 123 6.258 2.168 -9.316 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.189 1.665 -7.384 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.389 2.045 -10.572 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.475 3.510 -11.005 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.872 3.624 -9.908 1.00 1.27 H new ATOM 2013 N LYS A 124 4.458 4.086 -9.616 1.00 1.12 N ATOM 2014 CA LYS A 124 3.449 4.553 -10.598 1.00 1.10 C ATOM 2015 C LYS A 124 2.711 5.827 -10.167 1.00 1.10 C ATOM 2016 O LYS A 124 2.130 6.498 -10.997 1.00 1.11 O ATOM 2017 CB LYS A 124 2.432 3.445 -10.755 1.00 1.04 C ATOM 2018 CG LYS A 124 3.058 2.276 -11.498 1.00 1.04 C ATOM 2019 CD LYS A 124 2.012 1.155 -11.630 1.00 0.99 C ATOM 2020 CE LYS A 124 1.985 0.675 -13.072 1.00 0.98 C ATOM 2021 NZ LYS A 124 0.904 -0.326 -13.257 1.00 0.92 N ATOM 0 H LYS A 124 4.185 3.267 -9.072 1.00 1.12 H new ATOM 0 HA LYS A 124 3.972 4.793 -11.524 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.080 3.120 -9.776 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.562 3.811 -11.300 1.00 1.04 H new ATOM 0 HG2 LYS A 124 3.397 2.594 -12.484 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.934 1.913 -10.961 1.00 1.04 H new ATOM 0 HD2 LYS A 124 2.258 0.329 -10.962 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.028 1.521 -11.336 1.00 0.99 H new ATOM 0 HE2 LYS A 124 1.827 1.520 -13.742 1.00 0.98 H new ATOM 0 HE3 LYS A 124 2.947 0.235 -13.335 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 1.314 -1.221 -13.592 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.419 -0.485 -12.351 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 0.221 0.026 -13.958 1.00 0.92 H new ATOM 2035 N TYR A 125 2.680 6.158 -8.902 1.00 1.10 N ATOM 2036 CA TYR A 125 1.919 7.377 -8.472 1.00 1.11 C ATOM 2037 C TYR A 125 2.884 8.517 -8.157 1.00 1.17 C ATOM 2038 O TYR A 125 2.509 9.672 -8.114 1.00 1.20 O ATOM 2039 CB TYR A 125 1.086 7.021 -7.242 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.116 6.189 -7.671 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.061 4.900 -8.209 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.411 6.707 -7.530 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.051 4.144 -8.598 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.519 5.947 -7.920 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.340 4.667 -8.453 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.435 3.919 -8.836 1.00 0.86 O ATOM 0 H TYR A 125 3.143 5.645 -8.152 1.00 1.10 H new ATOM 0 HA TYR A 125 1.261 7.708 -9.275 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.692 6.464 -6.527 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.753 7.929 -6.739 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.056 4.494 -8.322 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.554 7.696 -7.119 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.913 3.155 -9.011 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.515 6.350 -7.809 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.255 4.429 -8.667 1.00 0.86 H new ATOM 2056 N ARG A 126 4.122 8.200 -7.950 1.00 1.20 N ATOM 2057 CA ARG A 126 5.132 9.242 -7.651 1.00 1.27 C ATOM 2058 C ARG A 126 5.025 10.386 -8.670 1.00 1.31 C ATOM 2059 O ARG A 126 5.223 11.540 -8.344 1.00 1.35 O ATOM 2060 CB ARG A 126 6.521 8.562 -7.701 1.00 1.31 C ATOM 2061 CG ARG A 126 7.586 9.502 -8.274 1.00 1.38 C ATOM 2062 CD ARG A 126 8.998 8.880 -8.145 1.00 1.42 C ATOM 2063 NE ARG A 126 9.969 9.913 -7.657 1.00 1.49 N ATOM 2064 CZ ARG A 126 10.006 11.113 -8.179 1.00 1.52 C ATOM 2065 NH1 ARG A 126 9.264 11.409 -9.210 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.815 12.010 -7.686 1.00 1.59 N ATOM 0 H ARG A 126 4.485 7.247 -7.975 1.00 1.20 H new ATOM 0 HA ARG A 126 4.971 9.679 -6.665 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.811 8.251 -6.698 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.464 7.660 -8.311 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.369 9.708 -9.322 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.555 10.457 -7.749 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.972 8.038 -7.454 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.323 8.490 -9.110 1.00 1.42 H new ATOM 0 HE ARG A 126 10.614 9.676 -6.903 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.649 10.703 -9.615 1.00 1.50 H new ATOM 0 HH12 ARG A 126 9.299 12.346 -9.611 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.416 11.775 -6.896 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.846 12.946 -8.090 1.00 1.59 H new ATOM 2080 N ASN A 127 4.744 10.068 -9.901 1.00 1.30 N ATOM 2081 CA ASN A 127 4.655 11.114 -10.962 1.00 1.33 C ATOM 2082 C ASN A 127 3.190 11.422 -11.247 1.00 1.29 C ATOM 2083 O ASN A 127 2.834 12.500 -11.680 1.00 1.31 O ATOM 2084 CB ASN A 127 5.343 10.560 -12.228 1.00 1.35 C ATOM 2085 CG ASN A 127 6.746 11.161 -12.388 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.890 12.304 -12.775 1.00 1.46 O ATOM 2087 ND2 ASN A 127 7.790 10.432 -12.103 1.00 1.46 N ATOM 0 H ASN A 127 4.570 9.116 -10.224 1.00 1.30 H new ATOM 0 HA ASN A 127 5.145 12.035 -10.644 1.00 1.33 H new ATOM 0 HB2 ASN A 127 5.412 9.474 -12.165 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.740 10.791 -13.106 1.00 1.35 H new ATOM 0 HD21 ASN A 127 8.727 10.821 -12.205 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.669 9.473 -11.778 1.00 1.46 H new ATOM 2094 N VAL A 128 2.351 10.472 -11.007 1.00 1.23 N ATOM 2095 CA VAL A 128 0.894 10.655 -11.251 1.00 1.18 C ATOM 2096 C VAL A 128 0.210 10.982 -9.928 1.00 1.15 C ATOM 2097 O VAL A 128 0.372 10.305 -8.933 1.00 1.11 O ATOM 2098 CB VAL A 128 0.332 9.360 -11.859 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.193 9.304 -11.696 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.678 9.307 -13.350 1.00 1.17 C ATOM 0 H VAL A 128 2.611 9.555 -10.645 1.00 1.23 H new ATOM 0 HA VAL A 128 0.714 11.475 -11.946 1.00 1.18 H new ATOM 0 HB VAL A 128 0.775 8.510 -11.339 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -1.572 8.380 -12.133 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.447 9.336 -10.636 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -1.645 10.157 -12.203 1.00 1.09 H new ATOM 0 HG21 VAL A 128 0.280 8.389 -13.783 1.00 1.17 H new ATOM 0 HG22 VAL A 128 0.239 10.167 -13.856 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.761 9.327 -13.473 1.00 1.17 H new