USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 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 31 LYS NZ :NH3+ -178:sc= -0.2 (180deg=0) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 148:sc= -2.16! (180deg=-0.148) USER MOD Set 2.1: A 30 ASN :FLIP amide:sc= -0.0265 F(o=-6.4,f=-3.2) USER MOD Set 2.2: A 34 ASN : amide:sc= -3.19! C(o=-3.2!,f=-6.7!) USER MOD Single : A 9 THR OG1 : rot 20:sc= 0.401 USER MOD Single : A 13 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.96) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.349 K(o=-0.35,f=-1.3) USER MOD Single : A 22 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 70:sc= 0.255 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -4.64 X(o=-4.6,f=-4.8) USER MOD Single : A 37 ASN : amide:sc= -7.1! C(o=-7.1!,f=-6.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.74) USER MOD Single : A 52 TYR OH : rot -167:sc= 0.267! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -30.7! C(o=-31!,f=-31!) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= -0.274 (180deg=-1.98!) USER MOD Single : A 83 ASN : amide:sc= -0.767 X(o=-0.77,f=-0.91) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -168:sc= -0.942 (180deg=-1.07) USER MOD Single : A 92 GLN : amide:sc= -4.04! C(o=-4!,f=-5!) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0144 (180deg=-0.33) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -0.285 (180deg=-1.16) USER MOD Single : A 108 ASN :FLIP amide:sc= 0.849 F(o=-0.059,f=0.85) USER MOD Single : A 109 CYS SG : rot 180:sc= -0.0669 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 89:sc= 0.271 USER MOD Single : A 114 THR OG1 : rot 141:sc= -1.42 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.3!) USER MOD Single : A 123 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 124 LYS NZ :NH3+ -124:sc= -8.11! (180deg=-10.9!) 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 18.674 -7.324 -0.025 1.00 1.61 N ATOM 138 CA THR A 9 19.493 -6.087 0.143 1.00 1.66 C ATOM 139 C THR A 9 18.906 -5.198 1.233 1.00 1.62 C ATOM 140 O THR A 9 19.617 -4.548 1.973 1.00 1.65 O ATOM 141 CB THR A 9 19.531 -5.321 -1.182 1.00 1.71 C ATOM 142 OG1 THR A 9 19.743 -6.236 -2.248 1.00 1.71 O ATOM 143 CG2 THR A 9 20.666 -4.296 -1.158 1.00 1.78 C ATOM 0 HA THR A 9 20.504 -6.371 0.435 1.00 1.66 H new ATOM 0 HB THR A 9 18.583 -4.802 -1.325 1.00 1.71 H new ATOM 0 HG1 THR A 9 19.498 -7.139 -1.957 1.00 1.71 H new ATOM 0 HG21 THR A 9 20.687 -3.755 -2.104 1.00 1.78 H new ATOM 0 HG22 THR A 9 20.504 -3.593 -0.341 1.00 1.78 H new ATOM 0 HG23 THR A 9 21.617 -4.809 -1.012 1.00 1.78 H new ATOM 151 N LEU A 10 17.621 -5.155 1.332 1.00 1.55 N ATOM 152 CA LEU A 10 16.985 -4.292 2.365 1.00 1.52 C ATOM 153 C LEU A 10 17.131 -4.931 3.756 1.00 1.51 C ATOM 154 O LEU A 10 17.741 -4.368 4.644 1.00 1.54 O ATOM 155 CB LEU A 10 15.494 -4.131 2.010 1.00 1.44 C ATOM 156 CG LEU A 10 15.299 -2.921 1.088 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.066 -3.141 -0.216 1.00 1.48 C ATOM 158 CD2 LEU A 10 13.812 -2.756 0.776 1.00 1.36 C ATOM 0 H LEU A 10 16.973 -5.679 0.744 1.00 1.55 H new ATOM 0 HA LEU A 10 17.472 -3.317 2.386 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.129 -5.034 1.520 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.907 -4.003 2.920 1.00 1.44 H new ATOM 0 HG LEU A 10 15.673 -2.025 1.583 1.00 1.43 H new ATOM 0 HD11 LEU A 10 15.926 -2.280 -0.870 1.00 1.48 H new ATOM 0 HD12 LEU A 10 17.127 -3.263 0.002 1.00 1.48 H new ATOM 0 HD13 LEU A 10 15.692 -4.037 -0.711 1.00 1.48 H new ATOM 0 HD21 LEU A 10 13.671 -1.896 0.121 1.00 1.36 H new ATOM 0 HD22 LEU A 10 13.442 -3.654 0.281 1.00 1.36 H new ATOM 0 HD23 LEU A 10 13.261 -2.600 1.703 1.00 1.36 H new ATOM 170 N PHE A 11 16.580 -6.096 3.947 1.00 1.48 N ATOM 171 CA PHE A 11 16.672 -6.770 5.273 1.00 1.48 C ATOM 172 C PHE A 11 18.110 -7.197 5.535 1.00 1.55 C ATOM 173 O PHE A 11 18.473 -7.560 6.637 1.00 1.57 O ATOM 174 CB PHE A 11 15.754 -7.996 5.256 1.00 1.42 C ATOM 175 CG PHE A 11 14.340 -7.558 5.485 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.586 -7.222 4.391 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.803 -7.476 6.774 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.268 -6.791 4.543 1.00 1.25 C ATOM 179 CE2 PHE A 11 12.481 -7.049 6.946 1.00 1.27 C ATOM 180 CZ PHE A 11 11.710 -6.705 5.827 1.00 1.23 C ATOM 0 H PHE A 11 16.065 -6.615 3.236 1.00 1.48 H new ATOM 0 HA PHE A 11 16.364 -6.087 6.065 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.836 -8.513 4.300 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.058 -8.703 6.028 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.016 -7.291 3.403 1.00 1.31 H new ATOM 0 HD2 PHE A 11 14.405 -7.740 7.631 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.680 -6.525 3.677 1.00 1.25 H new ATOM 0 HE2 PHE A 11 12.057 -6.985 7.937 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.689 -6.375 5.953 1.00 1.23 H new ATOM 190 N ASP A 12 18.932 -7.156 4.533 1.00 1.58 N ATOM 191 CA ASP A 12 20.356 -7.560 4.726 1.00 1.65 C ATOM 192 C ASP A 12 21.145 -6.397 5.283 1.00 1.70 C ATOM 193 O ASP A 12 21.825 -6.506 6.285 1.00 1.75 O ATOM 194 CB ASP A 12 20.975 -7.958 3.389 1.00 1.68 C ATOM 195 CG ASP A 12 22.452 -8.308 3.591 1.00 1.63 C ATOM 196 OD1 ASP A 12 22.770 -8.873 4.625 1.00 1.65 O ATOM 197 OD2 ASP A 12 23.239 -8.005 2.710 1.00 1.58 O ATOM 0 H ASP A 12 18.686 -6.862 3.588 1.00 1.58 H new ATOM 0 HA ASP A 12 20.385 -8.404 5.416 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.442 -8.812 2.970 1.00 1.68 H new ATOM 0 HB3 ASP A 12 20.879 -7.140 2.674 1.00 1.68 H new ATOM 202 N HIS A 13 21.081 -5.293 4.608 1.00 1.70 N ATOM 203 CA HIS A 13 21.858 -4.082 5.043 1.00 1.76 C ATOM 204 C HIS A 13 20.957 -2.852 5.192 1.00 1.73 C ATOM 205 O HIS A 13 21.348 -1.757 4.838 1.00 1.77 O ATOM 206 CB HIS A 13 22.929 -3.781 3.995 1.00 1.80 C ATOM 207 CG HIS A 13 23.793 -2.649 4.479 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.484 -2.710 5.678 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.086 -1.422 3.938 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.153 -1.551 5.819 1.00 1.93 C ATOM 211 NE2 HIS A 13 24.946 -0.730 4.786 1.00 1.95 N ATOM 0 H HIS A 13 20.522 -5.164 3.764 1.00 1.70 H new ATOM 0 HA HIS A 13 22.305 -4.297 6.014 1.00 1.76 H new ATOM 0 HB2 HIS A 13 23.538 -4.667 3.815 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.462 -3.517 3.046 1.00 1.80 H new ATOM 0 HD2 HIS A 13 23.707 -1.050 2.998 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.781 -1.313 6.665 1.00 1.93 H new ATOM 0 HE2 HIS A 13 25.334 0.203 4.648 1.00 1.95 H new ATOM 219 N ALA A 14 19.777 -2.994 5.731 1.00 1.66 N ATOM 220 CA ALA A 14 18.912 -1.787 5.904 1.00 1.63 C ATOM 221 C ALA A 14 17.677 -2.099 6.762 1.00 1.56 C ATOM 222 O ALA A 14 16.565 -2.018 6.279 1.00 1.51 O ATOM 223 CB ALA A 14 18.467 -1.282 4.525 1.00 1.62 C ATOM 0 H ALA A 14 19.378 -3.875 6.055 1.00 1.66 H new ATOM 0 HA ALA A 14 19.492 -1.020 6.417 1.00 1.63 H new ATOM 0 HB1 ALA A 14 17.836 -0.402 4.646 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.344 -1.021 3.933 1.00 1.62 H new ATOM 0 HB3 ALA A 14 17.905 -2.064 4.015 1.00 1.62 H new ATOM 229 N PRO A 15 17.893 -2.411 8.023 1.00 1.57 N ATOM 230 CA PRO A 15 16.782 -2.685 8.943 1.00 1.51 C ATOM 231 C PRO A 15 16.108 -1.351 9.296 1.00 1.50 C ATOM 232 O PRO A 15 14.994 -1.310 9.780 1.00 1.44 O ATOM 233 CB PRO A 15 17.453 -3.311 10.190 1.00 1.54 C ATOM 234 CG PRO A 15 18.992 -3.235 9.981 1.00 1.62 C ATOM 235 CD PRO A 15 19.235 -2.530 8.632 1.00 1.64 C ATOM 0 HA PRO A 15 16.020 -3.345 8.529 1.00 1.51 H new ATOM 0 HB2 PRO A 15 17.162 -2.774 11.092 1.00 1.54 H new ATOM 0 HB3 PRO A 15 17.134 -4.345 10.318 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.464 -2.683 10.794 1.00 1.62 H new ATOM 0 HG3 PRO A 15 19.429 -4.233 9.978 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.694 -1.551 8.774 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.907 -3.108 7.998 1.00 1.64 H new ATOM 243 N ASP A 16 16.799 -0.261 9.070 1.00 1.55 N ATOM 244 CA ASP A 16 16.228 1.081 9.406 1.00 1.55 C ATOM 245 C ASP A 16 15.404 1.629 8.237 1.00 1.52 C ATOM 246 O ASP A 16 14.337 2.176 8.425 1.00 1.48 O ATOM 247 CB ASP A 16 17.369 2.052 9.716 1.00 1.63 C ATOM 248 CG ASP A 16 18.249 1.469 10.825 1.00 1.65 C ATOM 249 OD1 ASP A 16 18.584 0.299 10.734 1.00 1.64 O ATOM 250 OD2 ASP A 16 18.572 2.202 11.745 1.00 1.68 O ATOM 0 H ASP A 16 17.736 -0.242 8.667 1.00 1.55 H new ATOM 0 HA ASP A 16 15.577 0.975 10.274 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.964 2.228 8.820 1.00 1.63 H new ATOM 0 HB3 ASP A 16 16.966 3.016 10.026 1.00 1.63 H new ATOM 255 N LYS A 17 15.894 1.503 7.036 1.00 1.55 N ATOM 256 CA LYS A 17 15.139 2.033 5.866 1.00 1.54 C ATOM 257 C LYS A 17 13.779 1.346 5.790 1.00 1.46 C ATOM 258 O LYS A 17 12.763 1.983 5.616 1.00 1.42 O ATOM 259 CB LYS A 17 15.921 1.767 4.580 1.00 1.59 C ATOM 260 CG LYS A 17 17.275 2.476 4.653 1.00 1.67 C ATOM 261 CD LYS A 17 17.926 2.489 3.268 1.00 1.72 C ATOM 262 CE LYS A 17 19.353 3.033 3.374 1.00 1.80 C ATOM 263 NZ LYS A 17 19.807 3.498 2.033 1.00 1.80 N ATOM 0 H LYS A 17 16.784 1.057 6.813 1.00 1.55 H new ATOM 0 HA LYS A 17 15.000 3.108 5.982 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.066 0.695 4.445 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.357 2.124 3.718 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.143 3.496 5.013 1.00 1.67 H new ATOM 0 HG3 LYS A 17 17.924 1.968 5.366 1.00 1.67 H new ATOM 0 HD2 LYS A 17 17.941 1.481 2.853 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.341 3.106 2.586 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.388 3.856 4.087 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.022 2.258 3.748 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 20.776 3.868 2.104 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 19.788 2.701 1.365 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 19.174 4.250 1.693 1.00 1.80 H new ATOM 277 N LEU A 18 13.750 0.050 5.930 1.00 1.43 N ATOM 278 CA LEU A 18 12.451 -0.679 5.877 1.00 1.36 C ATOM 279 C LEU A 18 11.426 0.056 6.748 1.00 1.31 C ATOM 280 O LEU A 18 10.256 0.143 6.421 1.00 1.26 O ATOM 281 CB LEU A 18 12.659 -2.102 6.413 1.00 1.35 C ATOM 282 CG LEU A 18 13.355 -2.973 5.347 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.046 -4.160 6.024 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.328 -3.501 4.331 1.00 1.41 C ATOM 0 H LEU A 18 14.571 -0.537 6.079 1.00 1.43 H new ATOM 0 HA LEU A 18 12.087 -0.724 4.851 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.262 -2.073 7.320 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.699 -2.541 6.683 1.00 1.35 H new ATOM 0 HG LEU A 18 14.092 -2.362 4.825 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.537 -4.774 5.269 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.789 -3.793 6.732 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.305 -4.759 6.553 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.835 -4.114 3.586 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.581 -4.103 4.848 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.839 -2.661 3.838 1.00 1.41 H new ATOM 296 N ASN A 19 11.866 0.598 7.850 1.00 1.33 N ATOM 297 CA ASN A 19 10.931 1.335 8.748 1.00 1.29 C ATOM 298 C ASN A 19 10.504 2.646 8.082 1.00 1.30 C ATOM 299 O ASN A 19 9.337 2.877 7.832 1.00 1.25 O ATOM 300 CB ASN A 19 11.635 1.645 10.070 1.00 1.32 C ATOM 301 CG ASN A 19 10.616 2.174 11.079 1.00 1.27 C ATOM 302 OD1 ASN A 19 10.447 3.369 11.220 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.924 1.328 11.792 1.00 1.22 N ATOM 0 H ASN A 19 12.834 0.563 8.168 1.00 1.33 H new ATOM 0 HA ASN A 19 10.051 0.720 8.936 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.114 0.746 10.458 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.422 2.383 9.911 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.241 1.670 12.468 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.066 0.325 11.673 1.00 1.22 H new ATOM 310 N VAL A 20 11.440 3.507 7.798 1.00 1.36 N ATOM 311 CA VAL A 20 11.092 4.802 7.152 1.00 1.38 C ATOM 312 C VAL A 20 10.394 4.543 5.812 1.00 1.34 C ATOM 313 O VAL A 20 9.593 5.338 5.359 1.00 1.32 O ATOM 314 CB VAL A 20 12.367 5.611 6.912 1.00 1.46 C ATOM 315 CG1 VAL A 20 11.996 7.040 6.513 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.201 5.642 8.195 1.00 1.50 C ATOM 0 H VAL A 20 12.433 3.369 7.986 1.00 1.36 H new ATOM 0 HA VAL A 20 10.422 5.360 7.806 1.00 1.38 H new ATOM 0 HB VAL A 20 12.946 5.148 6.113 1.00 1.46 H new ATOM 0 HG11 VAL A 20 12.904 7.617 6.342 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.401 7.020 5.600 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.418 7.502 7.313 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.110 6.219 8.024 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.622 6.105 8.994 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.466 4.624 8.482 1.00 1.50 H new ATOM 326 N VAL A 21 10.686 3.444 5.167 1.00 1.33 N ATOM 327 CA VAL A 21 10.026 3.166 3.860 1.00 1.30 C ATOM 328 C VAL A 21 8.533 2.899 4.093 1.00 1.22 C ATOM 329 O VAL A 21 7.696 3.331 3.322 1.00 1.19 O ATOM 330 CB VAL A 21 10.689 1.964 3.176 1.00 1.30 C ATOM 331 CG1 VAL A 21 9.886 1.577 1.928 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.123 2.338 2.758 1.00 1.38 C ATOM 0 H VAL A 21 11.346 2.734 5.485 1.00 1.33 H new ATOM 0 HA VAL A 21 10.136 4.031 3.206 1.00 1.30 H new ATOM 0 HB VAL A 21 10.716 1.124 3.870 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.358 0.723 1.442 1.00 1.26 H new ATOM 0 HG12 VAL A 21 8.869 1.314 2.217 1.00 1.26 H new ATOM 0 HG13 VAL A 21 9.860 2.419 1.236 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.595 1.484 2.272 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.092 3.179 2.065 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.698 2.616 3.641 1.00 1.38 H new ATOM 342 N LYS A 22 8.173 2.229 5.163 1.00 1.19 N ATOM 343 CA LYS A 22 6.734 2.007 5.419 1.00 1.12 C ATOM 344 C LYS A 22 6.122 3.391 5.589 1.00 1.12 C ATOM 345 O LYS A 22 5.064 3.665 5.096 1.00 1.09 O ATOM 346 CB LYS A 22 6.574 1.141 6.689 1.00 1.09 C ATOM 347 CG LYS A 22 5.195 1.352 7.381 1.00 1.03 C ATOM 348 CD LYS A 22 5.336 1.160 8.899 1.00 1.03 C ATOM 349 CE LYS A 22 5.931 2.427 9.529 1.00 1.09 C ATOM 350 NZ LYS A 22 6.707 2.055 10.746 1.00 1.14 N ATOM 0 H LYS A 22 8.811 1.836 5.855 1.00 1.19 H new ATOM 0 HA LYS A 22 6.235 1.475 4.609 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.688 0.090 6.425 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.371 1.382 7.392 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.820 2.352 7.166 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.467 0.646 6.983 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.362 0.946 9.340 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.976 0.303 9.109 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.577 2.934 8.813 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.136 3.125 9.790 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.111 2.912 11.175 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.077 1.589 11.430 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.474 1.404 10.483 1.00 1.14 H new ATOM 364 N LYS A 23 6.799 4.250 6.298 1.00 1.17 N ATOM 365 CA LYS A 23 6.284 5.639 6.531 1.00 1.18 C ATOM 366 C LYS A 23 6.124 6.397 5.203 1.00 1.20 C ATOM 367 O LYS A 23 5.299 7.285 5.081 1.00 1.20 O ATOM 368 CB LYS A 23 7.270 6.401 7.420 1.00 1.25 C ATOM 369 CG LYS A 23 7.370 5.720 8.785 1.00 1.23 C ATOM 370 CD LYS A 23 8.055 6.663 9.777 1.00 1.29 C ATOM 371 CE LYS A 23 8.186 5.971 11.135 1.00 1.36 C ATOM 372 NZ LYS A 23 8.761 6.926 12.124 1.00 1.39 N ATOM 0 H LYS A 23 7.700 4.051 6.734 1.00 1.17 H new ATOM 0 HA LYS A 23 5.310 5.568 7.014 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.251 6.433 6.946 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.941 7.433 7.542 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.376 5.456 9.145 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.935 4.792 8.700 1.00 1.23 H new ATOM 0 HD2 LYS A 23 9.040 6.946 9.405 1.00 1.29 H new ATOM 0 HD3 LYS A 23 7.477 7.582 9.880 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.210 5.623 11.474 1.00 1.36 H new ATOM 0 HE3 LYS A 23 8.825 5.092 11.048 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 8.851 6.457 13.048 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 9.699 7.237 11.801 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.135 7.751 12.214 1.00 1.39 H new ATOM 386 N THR A 24 6.888 6.063 4.203 1.00 1.22 N ATOM 387 CA THR A 24 6.746 6.783 2.904 1.00 1.24 C ATOM 388 C THR A 24 5.499 6.260 2.227 1.00 1.18 C ATOM 389 O THR A 24 4.833 6.942 1.472 1.00 1.18 O ATOM 390 CB THR A 24 7.971 6.523 2.022 1.00 1.30 C ATOM 391 OG1 THR A 24 9.148 6.875 2.735 1.00 1.36 O ATOM 392 CG2 THR A 24 7.871 7.364 0.749 1.00 1.31 C ATOM 0 H THR A 24 7.598 5.331 4.225 1.00 1.22 H new ATOM 0 HA THR A 24 6.670 7.858 3.069 1.00 1.24 H new ATOM 0 HB THR A 24 8.011 5.467 1.754 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.292 6.236 3.464 1.00 1.36 H new ATOM 0 HG21 THR A 24 8.743 7.179 0.121 1.00 1.31 H new ATOM 0 HG22 THR A 24 6.967 7.093 0.204 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.832 8.421 1.013 1.00 1.31 H new ATOM 400 N LEU A 25 5.158 5.054 2.532 1.00 1.13 N ATOM 401 CA LEU A 25 3.936 4.466 1.964 1.00 1.07 C ATOM 402 C LEU A 25 2.756 5.033 2.757 1.00 1.03 C ATOM 403 O LEU A 25 1.663 5.181 2.247 1.00 0.99 O ATOM 404 CB LEU A 25 4.045 2.954 2.092 1.00 1.03 C ATOM 405 CG LEU A 25 5.242 2.478 1.254 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.496 0.980 1.507 1.00 1.06 C ATOM 407 CD2 LEU A 25 4.986 2.750 -0.251 1.00 1.09 C ATOM 0 H LEU A 25 5.681 4.443 3.159 1.00 1.13 H new ATOM 0 HA LEU A 25 3.795 4.704 0.910 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.177 2.671 3.136 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.128 2.478 1.746 1.00 1.03 H new ATOM 0 HG LEU A 25 6.131 3.034 1.552 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.346 0.649 0.910 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.711 0.821 2.564 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.611 0.409 1.227 1.00 1.06 H new ATOM 0 HD21 LEU A 25 5.842 2.408 -0.833 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.092 2.214 -0.571 1.00 1.09 H new ATOM 0 HD23 LEU A 25 4.844 3.819 -0.408 1.00 1.09 H new ATOM 419 N ILE A 26 2.993 5.412 3.994 1.00 1.04 N ATOM 420 CA ILE A 26 1.917 6.033 4.800 1.00 1.01 C ATOM 421 C ILE A 26 1.604 7.364 4.131 1.00 1.05 C ATOM 422 O ILE A 26 0.486 7.810 4.119 1.00 1.02 O ATOM 423 CB ILE A 26 2.406 6.260 6.248 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.603 4.896 6.919 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.378 7.075 7.055 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.875 5.069 8.417 1.00 1.01 C ATOM 0 H ILE A 26 3.889 5.313 4.471 1.00 1.04 H new ATOM 0 HA ILE A 26 1.033 5.397 4.849 1.00 1.01 H new ATOM 0 HB ILE A 26 3.343 6.816 6.221 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.715 4.281 6.773 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.435 4.371 6.451 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.746 7.221 8.071 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.229 8.045 6.580 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.431 6.537 7.086 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.012 4.091 8.877 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.777 5.665 8.557 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.030 5.574 8.884 1.00 1.01 H new ATOM 438 N THR A 27 2.600 7.992 3.563 1.00 1.11 N ATOM 439 CA THR A 27 2.372 9.294 2.872 1.00 1.15 C ATOM 440 C THR A 27 1.515 9.051 1.613 1.00 1.12 C ATOM 441 O THR A 27 0.584 9.779 1.328 1.00 1.12 O ATOM 442 CB THR A 27 3.737 9.904 2.499 1.00 1.23 C ATOM 443 OG1 THR A 27 4.315 10.486 3.659 1.00 1.27 O ATOM 444 CG2 THR A 27 3.566 10.984 1.426 1.00 1.27 C ATOM 0 H THR A 27 3.564 7.658 3.548 1.00 1.11 H new ATOM 0 HA THR A 27 1.843 9.989 3.524 1.00 1.15 H new ATOM 0 HB THR A 27 4.383 9.118 2.107 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.185 10.875 3.431 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.540 11.404 1.174 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.119 10.544 0.534 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.917 11.774 1.805 1.00 1.27 H new ATOM 452 N PHE A 28 1.824 8.023 0.871 1.00 1.10 N ATOM 453 CA PHE A 28 1.040 7.701 -0.368 1.00 1.07 C ATOM 454 C PHE A 28 -0.459 7.642 -0.022 1.00 1.01 C ATOM 455 O PHE A 28 -1.306 8.263 -0.662 1.00 1.02 O ATOM 456 CB PHE A 28 1.529 6.331 -0.882 1.00 1.05 C ATOM 457 CG PHE A 28 1.026 6.032 -2.294 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.225 6.941 -3.354 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.338 4.831 -2.542 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.736 6.648 -4.625 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.143 4.543 -3.822 1.00 0.96 C ATOM 462 CZ PHE A 28 0.051 5.452 -4.862 1.00 1.00 C ATOM 0 H PHE A 28 2.593 7.383 1.068 1.00 1.10 H new ATOM 0 HA PHE A 28 1.184 8.462 -1.135 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.619 6.310 -0.874 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.190 5.548 -0.204 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.757 7.865 -3.180 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.180 4.127 -1.738 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.887 7.349 -5.433 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.665 3.616 -4.006 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.327 5.232 -5.849 1.00 1.00 H new ATOM 472 N VAL A 29 -0.790 6.909 0.997 1.00 0.97 N ATOM 473 CA VAL A 29 -2.215 6.807 1.408 1.00 0.92 C ATOM 474 C VAL A 29 -2.666 8.162 1.965 1.00 0.95 C ATOM 475 O VAL A 29 -3.763 8.610 1.715 1.00 0.94 O ATOM 476 CB VAL A 29 -2.356 5.717 2.473 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.835 5.445 2.745 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.686 4.432 1.975 1.00 0.85 C ATOM 0 H VAL A 29 -0.135 6.374 1.566 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.839 6.545 0.554 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.877 6.050 3.394 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.929 4.668 3.504 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.314 6.358 3.099 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -4.319 5.115 1.826 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.785 3.653 2.731 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -2.166 4.105 1.053 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.630 4.622 1.786 1.00 0.85 H new ATOM 488 N ASN A 30 -1.816 8.831 2.698 1.00 0.99 N ATOM 489 CA ASN A 30 -2.188 10.168 3.242 1.00 1.03 C ATOM 490 C ASN A 30 -2.574 11.053 2.067 1.00 1.06 C ATOM 491 O ASN A 30 -3.184 12.082 2.216 1.00 1.09 O ATOM 492 CB ASN A 30 -0.989 10.784 3.990 1.00 1.08 C ATOM 493 CG ASN A 30 -1.466 11.560 5.222 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.753 10.905 6.311 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.577 12.769 5.190 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.880 8.508 2.943 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.018 10.077 3.942 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.299 9.997 4.294 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.440 11.450 3.324 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.352 13.279 4.336 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.896 13.274 6.017 1.00 1.06 H new ATOM 502 N LYS A 31 -2.205 10.640 0.898 1.00 1.07 N ATOM 503 CA LYS A 31 -2.521 11.428 -0.314 1.00 1.11 C ATOM 504 C LYS A 31 -3.969 11.140 -0.678 1.00 1.06 C ATOM 505 O LYS A 31 -4.802 12.027 -0.717 1.00 1.08 O ATOM 506 CB LYS A 31 -1.573 10.999 -1.462 1.00 1.13 C ATOM 507 CG LYS A 31 -1.139 12.217 -2.298 1.00 1.18 C ATOM 508 CD LYS A 31 -2.343 12.787 -3.053 1.00 1.19 C ATOM 509 CE LYS A 31 -1.977 14.151 -3.642 1.00 1.23 C ATOM 510 NZ LYS A 31 -3.050 14.591 -4.580 1.00 1.29 N ATOM 0 H LYS A 31 -1.690 9.777 0.727 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.385 12.496 -0.142 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.694 10.505 -1.048 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -2.075 10.273 -2.102 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.711 12.981 -1.649 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.361 11.926 -3.004 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -2.644 12.105 -3.848 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -3.194 12.886 -2.380 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -1.854 14.883 -2.844 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.024 14.089 -4.167 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -2.786 15.502 -5.007 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -3.169 13.880 -5.329 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -3.944 14.699 -4.059 1.00 1.29 H new ATOM 524 N HIS A 32 -4.286 9.899 -0.910 1.00 1.01 N ATOM 525 CA HIS A 32 -5.686 9.572 -1.241 1.00 0.97 C ATOM 526 C HIS A 32 -6.561 10.002 -0.070 1.00 0.95 C ATOM 527 O HIS A 32 -7.733 10.278 -0.213 1.00 0.95 O ATOM 528 CB HIS A 32 -5.799 8.057 -1.524 1.00 0.91 C ATOM 529 CG HIS A 32 -6.565 7.324 -0.439 1.00 0.93 C ATOM 530 ND1 HIS A 32 -5.921 6.678 0.601 1.00 0.89 N ATOM 531 CD2 HIS A 32 -7.909 7.119 -0.228 1.00 0.98 C ATOM 532 CE1 HIS A 32 -6.865 6.120 1.381 1.00 0.93 C ATOM 533 NE2 HIS A 32 -8.094 6.358 0.920 1.00 0.98 N ATOM 0 H HIS A 32 -3.641 9.109 -0.884 1.00 1.01 H new ATOM 0 HA HIS A 32 -6.019 10.098 -2.135 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -6.296 7.905 -2.482 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.800 7.630 -1.612 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -8.701 7.493 -0.860 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -6.653 5.548 2.273 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -8.978 6.048 1.323 1.00 0.98 H new ATOM 541 N LEU A 33 -5.979 10.077 1.085 1.00 0.95 N ATOM 542 CA LEU A 33 -6.738 10.504 2.279 1.00 0.94 C ATOM 543 C LEU A 33 -6.710 12.016 2.320 1.00 1.01 C ATOM 544 O LEU A 33 -7.728 12.645 2.488 1.00 1.02 O ATOM 545 CB LEU A 33 -6.073 9.954 3.529 1.00 0.92 C ATOM 546 CG LEU A 33 -6.213 8.427 3.609 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.500 7.940 4.871 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.693 8.007 3.669 1.00 0.84 C ATOM 0 H LEU A 33 -4.997 9.858 1.254 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.763 10.136 2.235 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.017 10.225 3.531 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.521 10.409 4.412 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.770 7.984 2.717 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.589 6.856 4.944 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.446 8.215 4.823 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.955 8.402 5.747 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.761 6.921 3.725 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.160 8.446 4.551 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.207 8.357 2.774 1.00 0.84 H new ATOM 560 N ASN A 34 -5.546 12.613 2.161 1.00 1.05 N ATOM 561 CA ASN A 34 -5.478 14.111 2.184 1.00 1.12 C ATOM 562 C ASN A 34 -6.657 14.677 1.382 1.00 1.14 C ATOM 563 O ASN A 34 -7.176 15.728 1.705 1.00 1.18 O ATOM 564 CB ASN A 34 -4.156 14.601 1.564 1.00 1.18 C ATOM 565 CG ASN A 34 -3.058 14.666 2.634 1.00 1.25 C ATOM 566 OD1 ASN A 34 -1.999 14.094 2.473 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.267 15.356 3.721 1.00 1.29 N ATOM 0 H ASN A 34 -4.656 12.135 2.019 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.527 14.454 3.218 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.852 13.929 0.761 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.298 15.586 1.119 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -2.541 15.415 4.435 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -4.156 15.837 3.857 1.00 1.29 H new ATOM 574 N LYS A 35 -7.127 13.982 0.366 1.00 1.11 N ATOM 575 CA LYS A 35 -8.305 14.523 -0.366 1.00 1.13 C ATOM 576 C LYS A 35 -9.516 14.246 0.514 1.00 1.11 C ATOM 577 O LYS A 35 -10.270 15.137 0.852 1.00 1.16 O ATOM 578 CB LYS A 35 -8.433 13.845 -1.736 1.00 1.10 C ATOM 579 CG LYS A 35 -7.604 14.633 -2.768 1.00 0.97 C ATOM 580 CD LYS A 35 -7.270 13.744 -3.968 1.00 1.01 C ATOM 581 CE LYS A 35 -6.306 12.611 -3.561 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.235 12.473 -4.587 1.00 1.15 N ATOM 0 H LYS A 35 -6.756 13.095 0.027 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.210 15.592 -0.557 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -8.082 12.815 -1.680 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.479 13.810 -2.042 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.161 15.510 -3.099 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -6.685 14.995 -2.307 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -8.186 13.318 -4.377 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.818 14.345 -4.757 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.865 12.827 -2.588 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.852 11.673 -3.463 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.354 12.162 -4.130 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -5.523 11.770 -5.297 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.079 13.390 -5.051 1.00 1.15 H new ATOM 596 N LEU A 36 -9.675 13.023 0.942 1.00 1.04 N ATOM 597 CA LEU A 36 -10.804 12.709 1.863 1.00 1.02 C ATOM 598 C LEU A 36 -10.491 13.387 3.201 1.00 1.05 C ATOM 599 O LEU A 36 -11.196 13.238 4.175 1.00 1.03 O ATOM 600 CB LEU A 36 -10.890 11.191 2.079 1.00 0.95 C ATOM 601 CG LEU A 36 -12.269 10.807 2.657 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.289 10.634 1.524 1.00 0.97 C ATOM 603 CD2 LEU A 36 -12.154 9.485 3.427 1.00 0.89 C ATOM 0 H LEU A 36 -9.077 12.234 0.696 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.750 13.059 1.450 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -10.728 10.673 1.134 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.101 10.869 2.759 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.601 11.601 3.326 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.257 10.363 1.945 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.382 11.569 0.972 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -12.953 9.846 0.849 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -13.128 9.215 3.834 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -11.813 8.700 2.753 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -11.439 9.600 4.242 1.00 0.89 H new ATOM 615 N ASN A 37 -9.407 14.114 3.229 1.00 1.11 N ATOM 616 CA ASN A 37 -8.952 14.819 4.447 1.00 1.16 C ATOM 617 C ASN A 37 -8.944 13.884 5.648 1.00 1.11 C ATOM 618 O ASN A 37 -9.738 13.996 6.559 1.00 1.12 O ATOM 619 CB ASN A 37 -9.818 16.038 4.707 1.00 1.22 C ATOM 620 CG ASN A 37 -11.230 15.635 5.139 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.508 15.510 6.315 1.00 1.16 O ATOM 622 ND2 ASN A 37 -12.146 15.440 4.229 1.00 1.21 N ATOM 0 H ASN A 37 -8.799 14.249 2.421 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.928 15.157 4.286 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -9.360 16.653 5.481 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.871 16.648 3.805 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -13.093 15.183 4.506 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.914 15.545 3.241 1.00 1.21 H new ATOM 629 N LEU A 38 -8.012 12.974 5.652 1.00 1.06 N ATOM 630 CA LEU A 38 -7.883 12.006 6.801 1.00 1.02 C ATOM 631 C LEU A 38 -6.402 11.868 7.180 1.00 1.02 C ATOM 632 O LEU A 38 -5.619 12.786 7.034 1.00 1.06 O ATOM 633 CB LEU A 38 -8.478 10.628 6.395 1.00 0.98 C ATOM 634 CG LEU A 38 -9.793 10.317 7.150 1.00 0.97 C ATOM 635 CD1 LEU A 38 -9.514 10.104 8.649 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.813 11.456 6.958 1.00 1.02 C ATOM 0 H LEU A 38 -7.325 12.850 4.909 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.435 12.378 7.664 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.665 10.617 5.321 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.749 9.844 6.600 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.215 9.401 6.737 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -10.449 9.886 9.166 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -8.826 9.268 8.776 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.069 11.007 9.068 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.730 11.218 7.497 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.397 12.386 7.344 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -11.035 11.571 5.897 1.00 1.02 H new ATOM 648 N GLU A 39 -6.029 10.727 7.671 1.00 1.02 N ATOM 649 CA GLU A 39 -4.611 10.503 8.079 1.00 1.03 C ATOM 650 C GLU A 39 -4.366 9.015 8.379 1.00 0.98 C ATOM 651 O GLU A 39 -4.977 8.436 9.256 1.00 0.95 O ATOM 652 CB GLU A 39 -4.310 11.329 9.332 1.00 1.08 C ATOM 653 CG GLU A 39 -2.798 11.371 9.568 1.00 1.11 C ATOM 654 CD GLU A 39 -2.518 11.881 10.982 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.424 12.439 11.580 1.00 1.13 O ATOM 656 OE2 GLU A 39 -1.403 11.706 11.444 1.00 1.24 O ATOM 0 H GLU A 39 -6.648 9.928 7.811 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.956 10.809 7.263 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.698 12.341 9.215 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.811 10.893 10.196 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.371 10.377 9.437 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.322 12.022 8.834 1.00 1.11 H new ATOM 663 N VAL A 40 -3.460 8.404 7.664 1.00 0.98 N ATOM 664 CA VAL A 40 -3.135 6.957 7.898 1.00 0.94 C ATOM 665 C VAL A 40 -1.930 6.863 8.839 1.00 0.95 C ATOM 666 O VAL A 40 -1.168 7.800 8.977 1.00 0.99 O ATOM 667 CB VAL A 40 -2.777 6.295 6.561 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.695 7.133 5.829 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.260 4.870 6.827 1.00 0.89 C ATOM 0 H VAL A 40 -2.923 8.846 6.918 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.995 6.453 8.340 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.662 6.245 5.927 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.446 6.657 4.881 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.077 8.137 5.642 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.801 7.195 6.450 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.004 4.393 5.881 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.375 4.917 7.461 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.035 4.289 7.327 1.00 0.89 H new ATOM 679 N THR A 41 -1.749 5.740 9.490 1.00 0.93 N ATOM 680 CA THR A 41 -0.587 5.593 10.424 1.00 0.95 C ATOM 681 C THR A 41 -0.034 4.162 10.368 1.00 0.91 C ATOM 682 O THR A 41 1.134 3.943 10.622 1.00 0.96 O ATOM 683 CB THR A 41 -1.046 5.899 11.857 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.062 6.892 11.823 1.00 1.12 O ATOM 685 CG2 THR A 41 0.135 6.404 12.693 1.00 1.20 C ATOM 0 H THR A 41 -2.353 4.921 9.416 1.00 0.93 H new ATOM 0 HA THR A 41 0.196 6.289 10.124 1.00 0.95 H new ATOM 0 HB THR A 41 -1.436 4.987 12.310 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.358 7.088 12.736 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.202 6.618 13.707 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.913 5.641 12.722 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.536 7.313 12.245 1.00 1.20 H new ATOM 693 N GLU A 42 -0.858 3.186 10.053 1.00 0.86 N ATOM 694 CA GLU A 42 -0.363 1.768 10.000 1.00 0.83 C ATOM 695 C GLU A 42 -0.524 1.224 8.582 1.00 0.81 C ATOM 696 O GLU A 42 -1.463 0.521 8.284 1.00 0.88 O ATOM 697 CB GLU A 42 -1.186 0.895 10.956 1.00 0.78 C ATOM 698 CG GLU A 42 -0.839 1.217 12.419 1.00 0.77 C ATOM 699 CD GLU A 42 -1.585 2.474 12.878 1.00 0.78 C ATOM 700 OE1 GLU A 42 -2.484 2.903 12.173 1.00 0.84 O ATOM 701 OE2 GLU A 42 -1.245 2.986 13.931 1.00 0.83 O ATOM 0 H GLU A 42 -1.846 3.308 9.832 1.00 0.86 H new ATOM 0 HA GLU A 42 0.687 1.748 10.292 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.249 1.061 10.784 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.991 -0.158 10.754 1.00 0.78 H new ATOM 0 HG2 GLU A 42 -1.105 0.374 13.057 1.00 0.77 H new ATOM 0 HG3 GLU A 42 0.236 1.366 12.521 1.00 0.77 H new ATOM 708 N LEU A 43 0.391 1.523 7.707 1.00 0.80 N ATOM 709 CA LEU A 43 0.278 1.004 6.319 1.00 0.78 C ATOM 710 C LEU A 43 0.135 -0.521 6.383 1.00 0.74 C ATOM 711 O LEU A 43 -0.644 -1.124 5.672 1.00 0.70 O ATOM 712 CB LEU A 43 1.543 1.424 5.550 1.00 0.86 C ATOM 713 CG LEU A 43 1.571 0.857 4.122 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.853 -0.660 4.112 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.242 1.167 3.417 1.00 0.90 C ATOM 0 H LEU A 43 1.210 2.102 7.892 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.594 1.408 5.804 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.596 2.512 5.508 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.425 1.083 6.092 1.00 0.86 H new ATOM 0 HG LEU A 43 2.387 1.337 3.582 1.00 0.83 H new ATOM 0 HD11 LEU A 43 1.864 -1.021 3.084 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.821 -0.853 4.575 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.074 -1.179 4.670 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.265 0.764 2.405 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.579 0.711 3.971 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.096 2.246 3.375 1.00 0.90 H new ATOM 727 N GLU A 44 0.896 -1.152 7.223 1.00 0.79 N ATOM 728 CA GLU A 44 0.820 -2.646 7.326 1.00 0.77 C ATOM 729 C GLU A 44 -0.635 -3.145 7.550 1.00 0.69 C ATOM 730 O GLU A 44 -1.211 -3.871 6.747 1.00 0.70 O ATOM 731 CB GLU A 44 1.694 -3.115 8.517 1.00 0.83 C ATOM 732 CG GLU A 44 2.538 -1.956 9.036 1.00 0.84 C ATOM 733 CD GLU A 44 3.459 -2.448 10.153 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.156 -3.478 10.732 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.450 -1.785 10.413 1.00 1.11 O ATOM 0 H GLU A 44 1.570 -0.707 7.846 1.00 0.79 H new ATOM 0 HA GLU A 44 1.179 -3.062 6.384 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.059 -3.499 9.315 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.341 -3.934 8.203 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.129 -1.532 8.224 1.00 0.84 H new ATOM 0 HG3 GLU A 44 1.892 -1.161 9.408 1.00 0.84 H new ATOM 742 N THR A 45 -1.221 -2.790 8.655 1.00 0.65 N ATOM 743 CA THR A 45 -2.597 -3.280 8.956 1.00 0.60 C ATOM 744 C THR A 45 -3.630 -2.544 8.108 1.00 0.58 C ATOM 745 O THR A 45 -4.814 -2.795 8.203 1.00 0.58 O ATOM 746 CB THR A 45 -2.892 -3.100 10.460 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.851 -4.067 10.863 1.00 0.84 O ATOM 748 CG2 THR A 45 -3.436 -1.693 10.762 1.00 0.64 C ATOM 0 H THR A 45 -0.810 -2.183 9.364 1.00 0.65 H new ATOM 0 HA THR A 45 -2.659 -4.340 8.708 1.00 0.60 H new ATOM 0 HB THR A 45 -1.960 -3.230 11.010 1.00 0.65 H new ATOM 0 HG1 THR A 45 -4.042 -3.960 11.818 1.00 0.84 H new ATOM 0 HG21 THR A 45 -3.633 -1.601 11.830 1.00 0.64 H new ATOM 0 HG22 THR A 45 -2.700 -0.946 10.463 1.00 0.64 H new ATOM 0 HG23 THR A 45 -4.361 -1.534 10.207 1.00 0.64 H new ATOM 756 N GLN A 46 -3.205 -1.645 7.275 1.00 0.59 N ATOM 757 CA GLN A 46 -4.178 -0.922 6.441 1.00 0.59 C ATOM 758 C GLN A 46 -4.637 -1.867 5.337 1.00 0.54 C ATOM 759 O GLN A 46 -5.713 -1.723 4.793 1.00 0.58 O ATOM 760 CB GLN A 46 -3.530 0.340 5.864 1.00 0.65 C ATOM 761 CG GLN A 46 -3.556 1.473 6.919 1.00 0.66 C ATOM 762 CD GLN A 46 -4.742 2.414 6.666 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.890 2.946 5.584 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.596 2.640 7.627 1.00 1.04 N ATOM 0 H GLN A 46 -2.228 -1.384 7.139 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.040 -0.606 7.029 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.502 0.129 5.569 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.062 0.655 4.966 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.630 1.046 7.919 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.623 2.035 6.881 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.472 2.193 8.535 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.388 3.263 7.469 1.00 1.04 H new ATOM 773 N PHE A 47 -3.850 -2.876 5.030 1.00 0.50 N ATOM 774 CA PHE A 47 -4.274 -3.850 4.002 1.00 0.49 C ATOM 775 C PHE A 47 -5.032 -4.936 4.727 1.00 0.46 C ATOM 776 O PHE A 47 -5.742 -5.727 4.141 1.00 0.49 O ATOM 777 CB PHE A 47 -3.056 -4.442 3.293 1.00 0.54 C ATOM 778 CG PHE A 47 -2.622 -3.526 2.177 1.00 0.63 C ATOM 779 CD1 PHE A 47 -1.902 -2.370 2.475 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.942 -3.833 0.850 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.499 -1.517 1.447 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.537 -2.980 -0.181 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.814 -1.820 0.118 1.00 0.89 C ATOM 0 H PHE A 47 -2.939 -3.056 5.452 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.894 -3.373 3.243 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.240 -4.578 4.003 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.299 -5.427 2.894 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.657 -2.135 3.500 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.501 -4.728 0.622 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -0.943 -0.621 1.678 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.782 -3.216 -1.206 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.499 -1.159 -0.676 1.00 0.89 H new ATOM 793 N ALA A 48 -4.914 -4.940 6.017 1.00 0.42 N ATOM 794 CA ALA A 48 -5.661 -5.938 6.828 1.00 0.40 C ATOM 795 C ALA A 48 -7.132 -5.562 6.773 1.00 0.36 C ATOM 796 O ALA A 48 -7.889 -5.757 7.703 1.00 0.36 O ATOM 797 CB ALA A 48 -5.165 -5.934 8.277 1.00 0.42 C ATOM 0 H ALA A 48 -4.332 -4.295 6.551 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.506 -6.941 6.431 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.723 -6.671 8.855 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -4.104 -6.184 8.299 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.314 -4.945 8.710 1.00 0.42 H new ATOM 803 N ASP A 49 -7.521 -5.000 5.671 1.00 0.34 N ATOM 804 CA ASP A 49 -8.922 -4.571 5.492 1.00 0.32 C ATOM 805 C ASP A 49 -9.157 -4.206 4.023 1.00 0.31 C ATOM 806 O ASP A 49 -10.275 -4.168 3.554 1.00 0.31 O ATOM 807 CB ASP A 49 -9.154 -3.348 6.371 1.00 0.32 C ATOM 808 CG ASP A 49 -8.265 -2.197 5.896 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.401 -1.802 4.751 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.462 -1.731 6.687 1.00 0.36 O ATOM 0 H ASP A 49 -6.913 -4.817 4.873 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.608 -5.371 5.770 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.202 -3.052 6.330 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.931 -3.588 7.411 1.00 0.32 H new ATOM 815 N GLY A 50 -8.108 -3.940 3.291 1.00 0.32 N ATOM 816 CA GLY A 50 -8.279 -3.570 1.845 1.00 0.33 C ATOM 817 C GLY A 50 -9.344 -2.456 1.697 1.00 0.33 C ATOM 818 O GLY A 50 -9.745 -2.082 0.597 1.00 0.34 O ATOM 0 H GLY A 50 -7.144 -3.961 3.624 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.328 -3.230 1.435 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.578 -4.447 1.271 1.00 0.33 H new ATOM 822 N VAL A 51 -9.801 -1.915 2.792 1.00 0.33 N ATOM 823 CA VAL A 51 -10.821 -0.830 2.723 1.00 0.36 C ATOM 824 C VAL A 51 -10.188 0.398 2.086 1.00 0.40 C ATOM 825 O VAL A 51 -10.617 0.879 1.055 1.00 0.42 O ATOM 826 CB VAL A 51 -11.243 -0.462 4.143 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.098 0.814 4.130 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.048 -1.605 4.771 1.00 0.36 C ATOM 0 H VAL A 51 -9.512 -2.178 3.734 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.680 -1.164 2.141 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.344 -0.288 4.734 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.392 1.065 5.149 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.520 1.635 3.706 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -12.990 0.648 3.525 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.343 -1.329 5.784 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.939 -1.794 4.173 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.436 -2.506 4.804 1.00 0.36 H new ATOM 838 N TYR A 52 -9.167 0.913 2.708 1.00 0.41 N ATOM 839 CA TYR A 52 -8.499 2.113 2.163 1.00 0.47 C ATOM 840 C TYR A 52 -8.081 1.822 0.724 1.00 0.47 C ATOM 841 O TYR A 52 -7.740 2.707 -0.022 1.00 0.51 O ATOM 842 CB TYR A 52 -7.273 2.458 3.046 1.00 0.49 C ATOM 843 CG TYR A 52 -5.974 2.028 2.386 1.00 0.51 C ATOM 844 CD1 TYR A 52 -5.398 2.821 1.388 1.00 0.57 C ATOM 845 CD2 TYR A 52 -5.354 0.843 2.779 1.00 0.48 C ATOM 846 CE1 TYR A 52 -4.198 2.428 0.786 1.00 0.60 C ATOM 847 CE2 TYR A 52 -4.153 0.447 2.179 1.00 0.51 C ATOM 848 CZ TYR A 52 -3.574 1.241 1.181 1.00 0.57 C ATOM 849 OH TYR A 52 -2.392 0.853 0.586 1.00 0.60 O ATOM 0 H TYR A 52 -8.768 0.549 3.574 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.172 2.970 2.167 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -7.249 3.531 3.234 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.371 1.967 4.014 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -5.880 3.738 1.082 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -5.801 0.230 3.547 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -3.754 3.041 0.016 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -3.673 -0.471 2.486 1.00 0.51 H new ATOM 0 HH TYR A 52 -2.200 -0.080 0.817 1.00 0.60 H new ATOM 859 N LEU A 53 -8.093 0.581 0.338 1.00 0.43 N ATOM 860 CA LEU A 53 -7.671 0.245 -1.058 1.00 0.44 C ATOM 861 C LEU A 53 -8.744 0.724 -2.034 1.00 0.45 C ATOM 862 O LEU A 53 -8.490 1.538 -2.904 1.00 0.50 O ATOM 863 CB LEU A 53 -7.456 -1.288 -1.193 1.00 0.41 C ATOM 864 CG LEU A 53 -5.997 -1.633 -1.560 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.563 -0.902 -2.849 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.066 -1.267 -0.385 1.00 0.46 C ATOM 0 H LEU A 53 -8.372 -0.212 0.916 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.730 0.744 -1.288 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.720 -1.776 -0.255 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -8.126 -1.683 -1.957 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.927 -2.704 -1.749 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.531 -1.162 -3.085 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -6.211 -1.202 -3.673 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -5.640 0.175 -2.700 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.037 -1.512 -0.647 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.144 -0.200 -0.178 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.359 -1.831 0.501 1.00 0.46 H new ATOM 878 N VAL A 54 -9.938 0.230 -1.914 1.00 0.43 N ATOM 879 CA VAL A 54 -10.984 0.686 -2.867 1.00 0.46 C ATOM 880 C VAL A 54 -11.160 2.210 -2.750 1.00 0.51 C ATOM 881 O VAL A 54 -11.462 2.897 -3.720 1.00 0.55 O ATOM 882 CB VAL A 54 -12.298 -0.035 -2.558 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.235 0.063 -3.767 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.997 -1.511 -2.256 1.00 0.41 C ATOM 0 H VAL A 54 -10.233 -0.453 -1.217 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.685 0.450 -3.888 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.779 0.427 -1.696 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.170 -0.451 -3.545 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.440 1.111 -3.985 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.762 -0.401 -4.632 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.927 -2.034 -2.034 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.520 -1.970 -3.122 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.330 -1.578 -1.397 1.00 0.41 H new ATOM 894 N LEU A 55 -10.947 2.763 -1.585 1.00 0.52 N ATOM 895 CA LEU A 55 -11.095 4.238 -1.453 1.00 0.58 C ATOM 896 C LEU A 55 -9.979 4.908 -2.245 1.00 0.62 C ATOM 897 O LEU A 55 -10.202 5.858 -2.952 1.00 0.66 O ATOM 898 CB LEU A 55 -11.008 4.651 0.024 1.00 0.59 C ATOM 899 CG LEU A 55 -12.369 4.439 0.722 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.153 4.223 2.222 1.00 0.58 C ATOM 901 CD2 LEU A 55 -13.258 5.675 0.523 1.00 0.67 C ATOM 0 H LEU A 55 -10.682 2.266 -0.735 1.00 0.52 H new ATOM 0 HA LEU A 55 -12.066 4.547 -1.839 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.239 4.066 0.527 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.712 5.697 0.099 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.853 3.564 0.287 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -13.116 4.074 2.710 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.528 3.344 2.377 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.661 5.097 2.648 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -14.216 5.518 1.018 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.767 6.549 0.951 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -13.423 5.837 -0.542 1.00 0.67 H new ATOM 913 N LEU A 56 -8.779 4.409 -2.143 1.00 0.62 N ATOM 914 CA LEU A 56 -7.649 5.014 -2.902 1.00 0.66 C ATOM 915 C LEU A 56 -8.088 5.189 -4.345 1.00 0.67 C ATOM 916 O LEU A 56 -8.040 6.268 -4.892 1.00 0.72 O ATOM 917 CB LEU A 56 -6.414 4.089 -2.794 1.00 0.65 C ATOM 918 CG LEU A 56 -5.433 4.279 -3.971 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.966 5.734 -4.056 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.213 3.386 -3.742 1.00 0.66 C ATOM 0 H LEU A 56 -8.531 3.606 -1.565 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.376 5.988 -2.496 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.895 4.288 -1.856 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.743 3.050 -2.762 1.00 0.65 H new ATOM 0 HG LEU A 56 -5.940 4.015 -4.899 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.276 5.846 -4.892 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.828 6.384 -4.207 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.462 6.009 -3.130 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.511 3.510 -4.567 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.728 3.666 -2.807 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.529 2.344 -3.689 1.00 0.66 H new ATOM 932 N MET A 57 -8.531 4.141 -4.958 1.00 0.62 N ATOM 933 CA MET A 57 -8.983 4.257 -6.369 1.00 0.63 C ATOM 934 C MET A 57 -9.950 5.440 -6.501 1.00 0.68 C ATOM 935 O MET A 57 -9.945 6.153 -7.487 1.00 0.72 O ATOM 936 CB MET A 57 -9.691 2.966 -6.786 1.00 0.58 C ATOM 937 CG MET A 57 -8.761 1.775 -6.552 1.00 0.55 C ATOM 938 SD MET A 57 -7.322 1.910 -7.642 1.00 0.60 S ATOM 939 CE MET A 57 -6.918 0.147 -7.709 1.00 0.57 C ATOM 0 H MET A 57 -8.602 3.209 -4.550 1.00 0.62 H new ATOM 0 HA MET A 57 -8.120 4.421 -7.015 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.610 2.841 -6.213 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.975 3.018 -7.837 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.441 1.749 -5.510 1.00 0.55 H new ATOM 0 HG3 MET A 57 -9.291 0.842 -6.746 1.00 0.55 H new ATOM 0 HE1 MET A 57 -6.043 -0.002 -8.341 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.705 -0.216 -6.703 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.762 -0.404 -8.123 1.00 0.57 H new ATOM 949 N GLY A 58 -10.802 5.639 -5.529 1.00 0.67 N ATOM 950 CA GLY A 58 -11.791 6.759 -5.631 1.00 0.73 C ATOM 951 C GLY A 58 -11.165 8.149 -5.442 1.00 0.79 C ATOM 952 O GLY A 58 -11.311 9.014 -6.282 1.00 0.84 O ATOM 0 H GLY A 58 -10.858 5.082 -4.676 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.276 6.717 -6.606 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.569 6.615 -4.882 1.00 0.73 H new ATOM 956 N LEU A 59 -10.508 8.391 -4.350 1.00 0.79 N ATOM 957 CA LEU A 59 -9.923 9.741 -4.120 1.00 0.86 C ATOM 958 C LEU A 59 -8.921 10.023 -5.230 1.00 0.88 C ATOM 959 O LEU A 59 -8.534 11.150 -5.467 1.00 0.94 O ATOM 960 CB LEU A 59 -9.277 9.832 -2.709 1.00 0.86 C ATOM 961 CG LEU A 59 -10.359 9.816 -1.600 1.00 0.82 C ATOM 962 CD1 LEU A 59 -10.965 11.218 -1.439 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.485 8.823 -1.906 1.00 0.87 C ATOM 0 H LEU A 59 -10.348 7.715 -3.603 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.704 10.501 -4.147 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.591 8.997 -2.565 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.687 10.746 -2.633 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.869 9.503 -0.678 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -11.725 11.198 -0.658 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -10.181 11.924 -1.165 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -11.420 11.528 -2.380 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.220 8.847 -1.101 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.966 9.097 -2.845 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.071 7.818 -1.990 1.00 0.87 H new ATOM 975 N LEU A 60 -8.534 9.006 -5.946 1.00 0.84 N ATOM 976 CA LEU A 60 -7.597 9.217 -7.082 1.00 0.87 C ATOM 977 C LEU A 60 -8.440 9.726 -8.252 1.00 0.91 C ATOM 978 O LEU A 60 -8.050 10.612 -8.987 1.00 0.96 O ATOM 979 CB LEU A 60 -6.914 7.883 -7.445 1.00 0.82 C ATOM 980 CG LEU A 60 -5.543 8.127 -8.105 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.691 9.108 -9.272 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.534 8.687 -7.078 1.00 0.91 C ATOM 0 H LEU A 60 -8.825 8.040 -5.794 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.814 9.932 -6.831 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.787 7.279 -6.547 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.552 7.316 -8.123 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.167 7.174 -8.479 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.717 9.275 -9.733 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.376 8.693 -10.011 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.085 10.055 -8.903 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.573 8.852 -7.565 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -4.906 9.631 -6.680 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.410 7.974 -6.263 1.00 0.91 H new ATOM 994 N GLU A 61 -9.612 9.173 -8.407 1.00 0.87 N ATOM 995 CA GLU A 61 -10.514 9.616 -9.503 1.00 0.91 C ATOM 996 C GLU A 61 -11.061 11.006 -9.171 1.00 0.96 C ATOM 997 O GLU A 61 -11.027 11.907 -9.986 1.00 1.00 O ATOM 998 CB GLU A 61 -11.677 8.623 -9.629 1.00 0.86 C ATOM 999 CG GLU A 61 -12.300 8.725 -11.024 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.615 7.945 -11.055 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -14.539 8.354 -10.372 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -13.676 6.952 -11.760 1.00 0.74 O ATOM 0 H GLU A 61 -9.984 8.429 -7.817 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.965 9.656 -10.444 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.321 7.608 -9.454 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.430 8.832 -8.869 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.479 9.770 -11.278 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.612 8.328 -11.771 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.568 11.182 -7.972 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.128 12.512 -7.562 1.00 1.01 C ATOM 1011 C GLY A 62 -13.554 12.329 -7.042 1.00 1.00 C ATOM 1012 O GLY A 62 -14.418 13.153 -7.264 1.00 1.03 O ATOM 0 H GLY A 62 -11.618 10.457 -7.256 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.503 12.959 -6.789 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.124 13.197 -8.410 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.623 -5.800 6.936 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.812 -6.995 7.252 1.00 0.35 C ATOM 1209 C PRO A 74 -14.322 -7.684 8.522 1.00 0.35 C ATOM 1210 O PRO A 74 -14.573 -7.049 9.527 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.378 -6.448 7.429 1.00 0.37 C ATOM 1212 CG PRO A 74 -12.350 -5.047 6.766 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.820 -4.593 6.614 1.00 0.47 C ATOM 0 HA PRO A 74 -13.862 -7.756 6.473 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -12.117 -6.381 8.485 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.650 -7.112 6.962 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.789 -4.341 7.378 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.856 -5.089 5.795 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -14.052 -3.771 7.291 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -14.023 -4.241 5.603 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.478 -8.990 8.472 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.978 -9.752 9.665 1.00 0.38 C ATOM 1223 C ASP A 75 -13.899 -10.727 10.155 1.00 0.36 C ATOM 1224 O ASP A 75 -13.623 -10.832 11.333 1.00 0.36 O ATOM 1225 CB ASP A 75 -16.233 -10.543 9.243 1.00 0.46 C ATOM 1226 CG ASP A 75 -17.230 -10.627 10.406 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.793 -10.552 11.543 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -18.412 -10.765 10.138 1.00 1.34 O ATOM 0 H ASP A 75 -14.279 -9.562 7.652 1.00 0.34 H new ATOM 0 HA ASP A 75 -15.218 -9.061 10.473 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.704 -10.060 8.387 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.949 -11.547 8.927 1.00 0.46 H new ATOM 1233 N SER A 76 -13.322 -11.459 9.248 1.00 0.38 N ATOM 1234 CA SER A 76 -12.282 -12.475 9.608 1.00 0.41 C ATOM 1235 C SER A 76 -11.071 -12.345 8.685 1.00 0.39 C ATOM 1236 O SER A 76 -10.894 -11.373 7.991 1.00 0.37 O ATOM 1237 CB SER A 76 -12.875 -13.874 9.454 1.00 0.51 C ATOM 1238 OG SER A 76 -13.561 -13.959 8.212 1.00 0.54 O ATOM 0 H SER A 76 -13.527 -11.399 8.251 1.00 0.38 H new ATOM 0 HA SER A 76 -11.966 -12.309 10.638 1.00 0.41 H new ATOM 0 HB2 SER A 76 -12.085 -14.623 9.498 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.560 -14.084 10.276 1.00 0.51 H new ATOM 0 HG SER A 76 -13.941 -14.856 8.109 1.00 0.54 H new ATOM 1244 N PHE A 77 -10.221 -13.317 8.693 1.00 0.42 N ATOM 1245 CA PHE A 77 -9.022 -13.262 7.827 1.00 0.44 C ATOM 1246 C PHE A 77 -9.432 -13.451 6.390 1.00 0.48 C ATOM 1247 O PHE A 77 -9.169 -12.638 5.552 1.00 0.49 O ATOM 1248 CB PHE A 77 -8.078 -14.392 8.240 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.877 -14.482 7.315 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -6.087 -13.352 7.062 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.541 -15.712 6.729 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.962 -13.454 6.221 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.424 -15.810 5.891 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.636 -14.683 5.639 1.00 0.90 C ATOM 0 H PHE A 77 -10.303 -14.156 9.267 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.525 -12.298 7.933 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.739 -14.228 9.263 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.617 -15.339 8.231 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -6.341 -12.404 7.512 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -7.146 -16.585 6.925 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.352 -12.584 6.026 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -5.171 -16.757 5.439 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.774 -14.762 4.994 1.00 0.90 H new ATOM 1264 N GLU A 78 -10.067 -14.523 6.109 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.497 -14.798 4.711 1.00 0.56 C ATOM 1266 C GLU A 78 -11.125 -13.546 4.082 1.00 0.53 C ATOM 1267 O GLU A 78 -10.843 -13.221 2.946 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.506 -15.973 4.725 1.00 0.63 C ATOM 1269 CG GLU A 78 -11.021 -17.121 3.830 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.990 -18.299 3.945 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.890 -18.221 4.765 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.817 -19.257 3.211 1.00 1.04 O ATOM 0 H GLU A 78 -10.318 -15.242 6.787 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.631 -15.069 4.107 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.638 -16.333 5.746 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.480 -15.625 4.382 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.958 -16.788 2.794 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -10.019 -17.430 4.127 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.961 -12.833 4.784 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.559 -11.627 4.151 1.00 0.45 C ATOM 1281 C GLN A 79 -11.458 -10.615 3.882 1.00 0.40 C ATOM 1282 O GLN A 79 -11.470 -9.923 2.891 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.654 -11.000 5.019 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.242 -10.947 6.472 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.411 -9.696 6.743 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -12.006 -9.019 5.823 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -12.152 -9.345 7.974 1.00 0.45 N ATOM 0 H GLN A 79 -12.250 -13.026 5.743 1.00 0.46 H new ATOM 0 HA GLN A 79 -13.031 -11.930 3.216 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.870 -9.993 4.663 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.574 -11.577 4.921 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.127 -10.948 7.108 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.666 -11.837 6.726 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.492 -9.914 8.749 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.609 -8.502 8.160 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.499 -10.531 4.757 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.380 -9.566 4.539 1.00 0.38 C ATOM 1298 C LYS A 80 -8.586 -10.015 3.310 1.00 0.39 C ATOM 1299 O LYS A 80 -8.354 -9.255 2.391 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.438 -9.549 5.753 1.00 0.41 C ATOM 1301 CG LYS A 80 -9.084 -8.804 6.918 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.063 -8.635 8.045 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.743 -8.000 9.260 1.00 0.51 C ATOM 1304 NZ LYS A 80 -7.705 -7.517 10.214 1.00 1.03 N ATOM 0 H LYS A 80 -10.438 -11.084 5.612 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.792 -8.567 4.396 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -8.202 -10.570 6.052 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.497 -9.070 5.484 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.441 -7.829 6.587 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.952 -9.355 7.279 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.641 -9.603 8.316 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.236 -8.009 7.710 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -9.376 -7.171 8.944 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.391 -8.727 9.749 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.044 -7.643 11.189 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -6.829 -8.062 10.079 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.516 -6.509 10.040 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.162 -11.252 3.300 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.376 -11.774 2.149 1.00 0.47 C ATOM 1320 C VAL A 81 -8.137 -11.531 0.855 1.00 0.45 C ATOM 1321 O VAL A 81 -7.555 -11.414 -0.197 1.00 0.46 O ATOM 1322 CB VAL A 81 -7.161 -13.278 2.313 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.244 -13.786 1.198 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.518 -13.565 3.669 1.00 0.56 C ATOM 0 H VAL A 81 -8.329 -11.926 4.047 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.415 -11.261 2.117 1.00 0.47 H new ATOM 0 HB VAL A 81 -8.124 -13.786 2.257 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -6.090 -14.859 1.314 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.704 -13.588 0.230 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.284 -13.273 1.255 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.367 -14.639 3.780 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.557 -13.055 3.731 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -7.171 -13.206 4.465 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.436 -11.480 0.917 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.230 -11.270 -0.331 1.00 0.44 C ATOM 1336 C LEU A 82 -10.306 -9.793 -0.667 1.00 0.38 C ATOM 1337 O LEU A 82 -10.200 -9.408 -1.807 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.645 -11.827 -0.143 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.349 -11.944 -1.508 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.854 -13.184 -2.274 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.862 -12.054 -1.289 1.00 0.54 C ATOM 0 H LEU A 82 -9.984 -11.574 1.772 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.738 -11.793 -1.151 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.599 -12.804 0.337 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.217 -11.174 0.516 1.00 0.47 H new ATOM 0 HG LEU A 82 -12.118 -11.056 -2.097 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.365 -13.246 -3.235 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.779 -13.105 -2.439 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.067 -14.080 -1.691 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.364 -12.137 -2.253 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.080 -12.938 -0.689 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.220 -11.165 -0.769 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.490 -8.963 0.298 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.562 -7.521 -0.001 1.00 0.32 C ATOM 1355 C ASN A 83 -9.230 -7.102 -0.632 1.00 0.31 C ATOM 1356 O ASN A 83 -9.170 -6.208 -1.461 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.824 -6.751 1.313 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.876 -5.660 1.089 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.661 -4.510 1.414 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -13.014 -5.986 0.542 1.00 0.36 N ATOM 0 H ASN A 83 -10.594 -9.216 1.281 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.372 -7.298 -0.695 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -11.164 -7.441 2.085 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.897 -6.304 1.671 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.727 -5.274 0.386 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.191 -6.953 0.270 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.154 -7.759 -0.265 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.832 -7.393 -0.865 1.00 0.37 C ATOM 1369 C VAL A 84 -6.631 -8.163 -2.151 1.00 0.39 C ATOM 1370 O VAL A 84 -6.055 -7.671 -3.080 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.670 -7.692 0.091 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.375 -7.152 -0.529 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.927 -7.006 1.446 1.00 0.40 C ATOM 0 H VAL A 84 -8.133 -8.521 0.413 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.840 -6.321 -1.061 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.583 -8.767 0.251 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.539 -7.357 0.139 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.200 -7.639 -1.489 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.464 -6.076 -0.679 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -5.101 -7.219 2.124 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -6.007 -5.929 1.299 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.855 -7.384 1.875 1.00 0.40 H new ATOM 1383 N SER A 85 -7.104 -9.366 -2.219 1.00 0.41 N ATOM 1384 CA SER A 85 -6.934 -10.140 -3.470 1.00 0.46 C ATOM 1385 C SER A 85 -7.669 -9.394 -4.569 1.00 0.42 C ATOM 1386 O SER A 85 -7.348 -9.473 -5.732 1.00 0.45 O ATOM 1387 CB SER A 85 -7.535 -11.536 -3.303 1.00 0.50 C ATOM 1388 OG SER A 85 -7.254 -12.310 -4.462 1.00 0.53 O ATOM 0 H SER A 85 -7.599 -9.847 -1.468 1.00 0.41 H new ATOM 0 HA SER A 85 -5.877 -10.248 -3.715 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.120 -12.020 -2.419 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.612 -11.465 -3.151 1.00 0.50 H new ATOM 0 HG SER A 85 -7.637 -13.206 -4.358 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.663 -8.667 -4.182 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.471 -7.902 -5.160 1.00 0.36 C ATOM 1396 C PHE A 86 -8.711 -6.656 -5.605 1.00 0.34 C ATOM 1397 O PHE A 86 -8.468 -6.439 -6.769 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.778 -7.496 -4.481 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.506 -6.425 -5.269 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.443 -6.395 -6.668 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.258 -5.465 -4.584 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.134 -5.406 -7.378 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.946 -4.474 -5.294 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.885 -4.446 -6.691 1.00 0.32 C ATOM 0 H PHE A 86 -8.959 -8.566 -3.211 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.674 -8.514 -6.039 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.420 -8.370 -4.374 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.568 -7.130 -3.476 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.862 -7.134 -7.199 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.308 -5.488 -3.505 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.087 -5.384 -8.457 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.524 -3.732 -4.763 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.418 -3.683 -7.240 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.330 -5.832 -4.686 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.579 -4.610 -5.086 1.00 0.33 C ATOM 1416 C ALA A 87 -6.340 -5.067 -5.846 1.00 0.38 C ATOM 1417 O ALA A 87 -5.839 -4.404 -6.734 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.162 -3.829 -3.838 1.00 0.35 C ATOM 0 H ALA A 87 -8.499 -5.942 -3.686 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.197 -3.962 -5.708 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.613 -2.935 -4.135 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -8.050 -3.539 -3.276 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.526 -4.455 -3.213 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.873 -6.229 -5.501 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.692 -6.814 -6.149 1.00 0.48 C ATOM 1426 C PHE A 88 -5.113 -7.330 -7.505 1.00 0.48 C ATOM 1427 O PHE A 88 -4.306 -7.525 -8.383 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.203 -7.961 -5.273 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.137 -8.753 -5.983 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.501 -9.663 -6.977 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.792 -8.590 -5.636 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.519 -10.414 -7.631 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.809 -9.338 -6.288 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.172 -10.252 -7.286 1.00 0.74 C ATOM 0 H PHE A 88 -6.282 -6.811 -4.770 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.892 -6.084 -6.273 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.808 -7.568 -4.336 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.039 -8.613 -5.018 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.541 -9.787 -7.241 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.514 -7.887 -4.865 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.799 -11.118 -8.401 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.230 -9.212 -6.023 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.412 -10.832 -7.789 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.380 -7.568 -7.683 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.847 -8.075 -8.998 1.00 0.46 C ATOM 1446 C GLU A 89 -6.932 -6.886 -9.952 1.00 0.43 C ATOM 1447 O GLU A 89 -6.466 -6.941 -11.075 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.220 -8.753 -8.822 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.027 -10.248 -8.553 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.748 -10.978 -9.869 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.641 -11.026 -10.699 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.645 -11.477 -10.025 1.00 0.60 O ATOM 0 H GLU A 89 -7.107 -7.434 -6.980 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.159 -8.816 -9.406 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.761 -8.292 -7.996 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.824 -8.610 -9.718 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.199 -10.399 -7.860 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.918 -10.660 -8.079 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.483 -5.795 -9.499 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.560 -4.596 -10.368 1.00 0.37 C ATOM 1461 C LEU A 90 -6.151 -4.042 -10.537 1.00 0.41 C ATOM 1462 O LEU A 90 -5.877 -3.287 -11.449 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.452 -3.532 -9.719 1.00 0.34 C ATOM 1464 CG LEU A 90 -9.926 -3.960 -9.783 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.750 -3.059 -8.854 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.464 -3.843 -11.225 1.00 0.36 C ATOM 0 H LEU A 90 -7.881 -5.685 -8.567 1.00 0.38 H new ATOM 0 HA LEU A 90 -7.985 -4.864 -11.335 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.155 -3.382 -8.681 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.321 -2.578 -10.229 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.008 -5.000 -9.466 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.798 -3.357 -8.894 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.383 -3.158 -7.832 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.655 -2.022 -9.175 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.509 -4.151 -11.249 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.382 -2.809 -11.561 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.881 -4.486 -11.884 1.00 0.36 H new ATOM 1478 N MET A 91 -5.241 -4.425 -9.677 1.00 0.43 N ATOM 1479 CA MET A 91 -3.842 -3.918 -9.823 1.00 0.49 C ATOM 1480 C MET A 91 -3.122 -4.799 -10.830 1.00 0.54 C ATOM 1481 O MET A 91 -2.515 -4.327 -11.771 1.00 0.58 O ATOM 1482 CB MET A 91 -3.103 -3.976 -8.484 1.00 0.52 C ATOM 1483 CG MET A 91 -3.618 -2.878 -7.532 1.00 0.48 C ATOM 1484 SD MET A 91 -3.505 -3.457 -5.815 1.00 0.55 S ATOM 1485 CE MET A 91 -1.709 -3.338 -5.614 1.00 0.60 C ATOM 0 H MET A 91 -5.401 -5.056 -8.892 1.00 0.43 H new ATOM 0 HA MET A 91 -3.865 -2.881 -10.159 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.243 -4.956 -8.027 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.033 -3.850 -8.647 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.031 -1.968 -7.659 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.651 -2.628 -7.775 1.00 0.48 H new ATOM 0 HE1 MET A 91 -1.411 -3.849 -4.699 1.00 0.60 H new ATOM 0 HE2 MET A 91 -1.216 -3.804 -6.467 1.00 0.60 H new ATOM 0 HE3 MET A 91 -1.418 -2.289 -5.555 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.206 -6.085 -10.649 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.549 -7.013 -11.606 1.00 0.62 C ATOM 1497 C GLN A 92 -3.016 -6.639 -13.009 1.00 0.61 C ATOM 1498 O GLN A 92 -2.310 -6.809 -13.983 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.955 -8.458 -11.284 1.00 0.64 C ATOM 1500 CG GLN A 92 -1.989 -9.436 -11.960 1.00 0.66 C ATOM 1501 CD GLN A 92 -2.176 -9.379 -13.477 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.289 -8.963 -14.195 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.303 -9.782 -13.998 1.00 0.67 N ATOM 0 H GLN A 92 -3.702 -6.534 -9.879 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.464 -6.936 -11.535 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.949 -8.615 -10.205 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -3.973 -8.644 -11.627 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -0.961 -9.184 -11.701 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -2.170 -10.449 -11.599 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -4.048 -10.131 -13.395 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -3.439 -9.748 -15.008 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.206 -6.101 -13.110 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.729 -5.680 -14.440 1.00 0.54 C ATOM 1514 C ASP A 93 -4.324 -4.230 -14.668 1.00 0.55 C ATOM 1515 O ASP A 93 -3.696 -3.888 -15.650 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.264 -5.806 -14.442 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.765 -6.192 -15.840 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.302 -7.194 -16.358 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -7.602 -5.476 -16.366 1.00 0.80 O ATOM 0 H ASP A 93 -4.837 -5.936 -12.326 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.323 -6.308 -15.233 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.575 -6.558 -13.717 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.714 -4.862 -14.135 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.679 -3.382 -13.752 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.316 -1.948 -13.886 1.00 0.61 C ATOM 1526 C GLY A 94 -2.795 -1.820 -14.002 1.00 0.73 C ATOM 1527 O GLY A 94 -2.270 -0.735 -14.155 1.00 0.82 O ATOM 0 H GLY A 94 -5.207 -3.619 -12.912 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -4.797 -1.520 -14.766 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.675 -1.388 -13.022 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.081 -2.924 -13.937 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.585 -2.869 -14.052 1.00 0.94 C ATOM 1533 C GLY A 95 0.063 -3.752 -12.978 1.00 0.92 C ATOM 1534 O GLY A 95 -0.205 -4.933 -12.884 1.00 0.91 O ATOM 0 H GLY A 95 -2.470 -3.858 -13.810 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.277 -3.204 -15.043 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.242 -1.840 -13.942 1.00 0.94 H new ATOM 1538 N LEU A 96 0.922 -3.180 -12.173 1.00 0.92 N ATOM 1539 CA LEU A 96 1.608 -3.966 -11.104 1.00 0.91 C ATOM 1540 C LEU A 96 2.565 -4.974 -11.747 1.00 0.94 C ATOM 1541 O LEU A 96 3.698 -5.130 -11.336 1.00 0.95 O ATOM 1542 CB LEU A 96 0.548 -4.691 -10.255 1.00 0.89 C ATOM 1543 CG LEU A 96 1.043 -4.907 -8.809 1.00 0.87 C ATOM 1544 CD1 LEU A 96 2.419 -5.579 -8.820 1.00 0.93 C ATOM 1545 CD2 LEU A 96 1.129 -3.564 -8.053 1.00 0.86 C ATOM 0 H LEU A 96 1.179 -2.194 -12.211 1.00 0.92 H new ATOM 0 HA LEU A 96 2.184 -3.301 -10.460 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.373 -4.108 -10.244 1.00 0.89 H new ATOM 0 HB3 LEU A 96 0.311 -5.653 -10.709 1.00 0.89 H new ATOM 0 HG LEU A 96 0.328 -5.551 -8.297 1.00 0.87 H new ATOM 0 HD11 LEU A 96 2.760 -5.727 -7.795 1.00 0.93 H new ATOM 0 HD12 LEU A 96 2.349 -6.544 -9.322 1.00 0.93 H new ATOM 0 HD13 LEU A 96 3.129 -4.945 -9.350 1.00 0.93 H new ATOM 0 HD21 LEU A 96 1.480 -3.741 -7.036 1.00 0.86 H new ATOM 0 HD22 LEU A 96 1.825 -2.901 -8.567 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.143 -3.101 -8.021 1.00 0.86 H new ATOM 1557 N GLU A 97 2.109 -5.642 -12.757 1.00 0.96 N ATOM 1558 CA GLU A 97 2.962 -6.642 -13.467 1.00 1.00 C ATOM 1559 C GLU A 97 3.452 -7.727 -12.499 1.00 0.99 C ATOM 1560 O GLU A 97 3.087 -7.753 -11.342 1.00 0.99 O ATOM 1561 CB GLU A 97 4.173 -5.940 -14.089 1.00 1.05 C ATOM 1562 CG GLU A 97 3.710 -4.711 -14.875 1.00 1.13 C ATOM 1563 CD GLU A 97 4.922 -4.030 -15.516 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.026 -4.273 -15.056 1.00 1.37 O ATOM 1565 OE2 GLU A 97 4.726 -3.279 -16.457 1.00 1.27 O ATOM 0 H GLU A 97 1.166 -5.542 -13.134 1.00 0.96 H new ATOM 0 HA GLU A 97 2.362 -7.111 -14.247 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.873 -5.642 -13.309 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.704 -6.626 -14.748 1.00 1.05 H new ATOM 0 HG2 GLU A 97 2.996 -5.005 -15.644 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.196 -4.015 -14.213 1.00 1.13 H new ATOM 1572 N LYS A 98 4.278 -8.615 -13.006 1.00 1.02 N ATOM 1573 CA LYS A 98 4.854 -9.751 -12.206 1.00 1.01 C ATOM 1574 C LYS A 98 4.823 -9.481 -10.682 1.00 1.00 C ATOM 1575 O LYS A 98 5.775 -8.952 -10.145 1.00 1.04 O ATOM 1576 CB LYS A 98 6.313 -9.944 -12.647 1.00 1.08 C ATOM 1577 CG LYS A 98 6.964 -8.576 -12.868 1.00 1.09 C ATOM 1578 CD LYS A 98 8.465 -8.757 -13.101 1.00 1.13 C ATOM 1579 CE LYS A 98 9.058 -7.458 -13.651 1.00 1.16 C ATOM 1580 NZ LYS A 98 8.753 -6.337 -12.717 1.00 1.18 N ATOM 0 H LYS A 98 4.588 -8.599 -13.978 1.00 1.02 H new ATOM 0 HA LYS A 98 4.250 -10.640 -12.389 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.863 -10.502 -11.889 1.00 1.08 H new ATOM 0 HB3 LYS A 98 6.352 -10.530 -13.565 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.509 -8.079 -13.725 1.00 1.09 H new ATOM 0 HG3 LYS A 98 6.794 -7.936 -12.002 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.958 -9.027 -12.167 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.639 -9.574 -13.802 1.00 1.13 H new ATOM 0 HE2 LYS A 98 10.136 -7.561 -13.772 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.645 -7.246 -14.637 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.379 -5.533 -12.924 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 7.762 -6.044 -12.838 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 8.904 -6.651 -11.737 1.00 1.18 H new ATOM 1594 N PRO A 99 3.748 -9.865 -10.014 1.00 0.93 N ATOM 1595 CA PRO A 99 3.639 -9.672 -8.553 1.00 0.91 C ATOM 1596 C PRO A 99 4.643 -10.595 -7.847 1.00 0.98 C ATOM 1597 O PRO A 99 5.176 -11.503 -8.453 1.00 1.02 O ATOM 1598 CB PRO A 99 2.182 -10.049 -8.207 1.00 0.84 C ATOM 1599 CG PRO A 99 1.502 -10.539 -9.522 1.00 0.82 C ATOM 1600 CD PRO A 99 2.568 -10.504 -10.638 1.00 0.88 C ATOM 0 HA PRO A 99 3.864 -8.654 -8.235 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.158 -10.831 -7.448 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.650 -9.190 -7.797 1.00 0.84 H new ATOM 0 HG2 PRO A 99 1.110 -11.549 -9.398 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.658 -9.899 -9.778 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.803 -11.508 -10.992 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.220 -9.935 -11.500 1.00 0.88 H new ATOM 1608 N LYS A 100 4.923 -10.360 -6.579 1.00 0.98 N ATOM 1609 CA LYS A 100 5.916 -11.219 -5.848 1.00 1.05 C ATOM 1610 C LYS A 100 5.316 -11.810 -4.540 1.00 1.02 C ATOM 1611 O LYS A 100 5.360 -13.013 -4.374 1.00 1.04 O ATOM 1612 CB LYS A 100 7.193 -10.374 -5.574 1.00 1.11 C ATOM 1613 CG LYS A 100 8.377 -10.872 -6.435 1.00 1.18 C ATOM 1614 CD LYS A 100 9.457 -9.780 -6.558 1.00 1.25 C ATOM 1615 CE LYS A 100 10.197 -9.591 -5.228 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.579 -10.917 -4.664 1.00 1.30 N ATOM 0 H LYS A 100 4.507 -9.613 -6.023 1.00 0.98 H new ATOM 0 HA LYS A 100 6.179 -12.077 -6.467 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.994 -9.325 -5.793 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.455 -10.435 -4.518 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.808 -11.768 -5.987 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.020 -11.151 -7.426 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.167 -10.052 -7.339 1.00 1.25 H new ATOM 0 HD3 LYS A 100 8.996 -8.839 -6.859 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.088 -8.982 -5.381 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.562 -9.056 -4.522 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.381 -10.799 -4.012 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.771 -11.321 -4.149 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.853 -11.557 -5.437 1.00 1.30 H new ATOM 1630 N PRO A 101 4.780 -11.001 -3.635 1.00 0.97 N ATOM 1631 CA PRO A 101 4.212 -11.539 -2.379 1.00 0.95 C ATOM 1632 C PRO A 101 2.783 -12.039 -2.653 1.00 0.89 C ATOM 1633 O PRO A 101 2.462 -12.383 -3.774 1.00 0.89 O ATOM 1634 CB PRO A 101 4.246 -10.334 -1.435 1.00 0.92 C ATOM 1635 CG PRO A 101 4.228 -9.081 -2.323 1.00 0.92 C ATOM 1636 CD PRO A 101 4.682 -9.526 -3.740 1.00 0.95 C ATOM 0 HA PRO A 101 4.750 -12.388 -1.957 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.389 -10.344 -0.762 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.140 -10.355 -0.812 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.229 -8.646 -2.356 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.896 -8.317 -1.926 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.963 -9.226 -4.502 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.639 -9.080 -4.012 1.00 0.95 H new ATOM 1644 N ARG A 102 1.929 -12.114 -1.656 1.00 0.84 N ATOM 1645 CA ARG A 102 0.535 -12.629 -1.892 1.00 0.79 C ATOM 1646 C ARG A 102 -0.494 -11.810 -1.066 1.00 0.71 C ATOM 1647 O ARG A 102 -0.161 -11.338 0.000 1.00 0.71 O ATOM 1648 CB ARG A 102 0.495 -14.098 -1.453 1.00 0.83 C ATOM 1649 CG ARG A 102 1.804 -14.773 -1.880 1.00 0.92 C ATOM 1650 CD ARG A 102 1.726 -16.313 -1.703 1.00 0.96 C ATOM 1651 NE ARG A 102 2.150 -17.006 -2.969 1.00 1.05 N ATOM 1652 CZ ARG A 102 1.597 -16.734 -4.123 1.00 1.11 C ATOM 1653 NH1 ARG A 102 0.589 -15.908 -4.195 1.00 1.09 N ATOM 1654 NH2 ARG A 102 2.039 -17.312 -5.206 1.00 1.18 N ATOM 0 H ARG A 102 2.134 -11.843 -0.694 1.00 0.84 H new ATOM 0 HA ARG A 102 0.278 -12.534 -2.947 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.369 -14.166 -0.372 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.357 -14.605 -1.906 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.016 -14.535 -2.922 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.630 -14.378 -1.288 1.00 0.92 H new ATOM 0 HD2 ARG A 102 2.367 -16.624 -0.878 1.00 0.96 H new ATOM 0 HD3 ARG A 102 0.708 -16.605 -1.444 1.00 0.96 H new ATOM 0 HE ARG A 102 2.889 -17.708 -2.927 1.00 1.05 H new ATOM 0 HH11 ARG A 102 0.227 -15.470 -3.348 1.00 1.09 H new ATOM 0 HH12 ARG A 102 0.163 -15.701 -5.098 1.00 1.09 H new ATOM 0 HH21 ARG A 102 2.813 -17.974 -5.151 1.00 1.18 H new ATOM 0 HH22 ARG A 102 1.610 -17.102 -6.107 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.726 -11.684 -1.566 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.805 -10.946 -0.860 1.00 0.59 C ATOM 1670 C PRO A 103 -2.768 -11.241 0.640 1.00 0.59 C ATOM 1671 O PRO A 103 -3.143 -10.421 1.455 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.097 -11.460 -1.517 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.682 -12.068 -2.883 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.152 -12.265 -2.854 1.00 0.67 C ATOM 0 HA PRO A 103 -2.710 -9.863 -0.943 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.580 -12.209 -0.889 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.812 -10.649 -1.654 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.188 -13.019 -3.050 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.968 -11.407 -3.701 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.887 -13.320 -2.920 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.672 -11.763 -3.694 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.295 -12.393 1.008 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.204 -12.728 2.450 1.00 0.65 C ATOM 1684 C GLU A 104 -1.003 -11.990 3.018 1.00 0.67 C ATOM 1685 O GLU A 104 -1.108 -11.218 3.947 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.992 -14.235 2.613 1.00 0.71 C ATOM 1687 CG GLU A 104 -3.186 -14.986 2.026 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.946 -16.493 2.130 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -2.124 -16.995 1.381 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.589 -17.120 2.955 1.00 0.82 O ATOM 0 H GLU A 104 -1.967 -13.119 0.371 1.00 0.64 H new ATOM 0 HA GLU A 104 -3.118 -12.440 2.969 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -1.074 -14.540 2.110 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.875 -14.484 3.668 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -4.097 -14.715 2.560 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.331 -14.702 0.984 1.00 0.71 H new ATOM 1697 N ASP A 105 0.133 -12.224 2.430 1.00 0.73 N ATOM 1698 CA ASP A 105 1.393 -11.572 2.865 1.00 0.78 C ATOM 1699 C ASP A 105 1.132 -10.094 3.174 1.00 0.73 C ATOM 1700 O ASP A 105 1.824 -9.481 3.954 1.00 0.77 O ATOM 1701 CB ASP A 105 2.401 -11.703 1.721 1.00 0.83 C ATOM 1702 CG ASP A 105 2.522 -13.174 1.312 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.617 -13.933 1.616 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.524 -13.518 0.707 1.00 0.86 O ATOM 0 H ASP A 105 0.242 -12.861 1.641 1.00 0.73 H new ATOM 0 HA ASP A 105 1.781 -12.045 3.767 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.080 -11.103 0.869 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.373 -11.320 2.033 1.00 0.83 H new ATOM 1709 N ILE A 106 0.118 -9.530 2.587 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.212 -8.098 2.871 1.00 0.64 C ATOM 1711 C ILE A 106 -1.072 -8.064 4.142 1.00 0.59 C ATOM 1712 O ILE A 106 -0.637 -7.626 5.189 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.990 -7.473 1.681 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.738 -8.272 0.390 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.545 -6.024 1.453 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.757 -8.277 0.014 1.00 0.72 C ATOM 0 H ILE A 106 -0.500 -9.994 1.922 1.00 0.67 H new ATOM 0 HA ILE A 106 0.701 -7.520 3.010 1.00 0.64 H new ATOM 0 HB ILE A 106 -2.052 -7.499 1.927 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -1.085 -9.297 0.521 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.318 -7.841 -0.426 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.100 -5.601 0.616 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.740 -5.438 2.351 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.522 -6.002 1.230 1.00 0.62 H new ATOM 0 HD11 ILE A 106 0.900 -8.850 -0.902 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.096 -7.253 -0.142 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.333 -8.732 0.820 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.286 -8.554 4.053 1.00 0.54 N ATOM 1729 CA VAL A 107 -3.184 -8.592 5.250 1.00 0.51 C ATOM 1730 C VAL A 107 -2.381 -9.108 6.450 1.00 0.53 C ATOM 1731 O VAL A 107 -2.661 -8.794 7.590 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.312 -9.598 4.955 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -5.087 -9.985 6.229 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.271 -8.997 3.937 1.00 0.46 C ATOM 0 H VAL A 107 -2.695 -8.931 3.198 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.586 -7.602 5.464 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.856 -10.505 4.557 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.873 -10.696 5.975 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.404 -10.440 6.946 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.533 -9.093 6.669 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -6.070 -9.707 3.727 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.698 -8.078 4.338 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.732 -8.775 3.016 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.410 -9.938 6.186 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.596 -10.540 7.282 1.00 0.63 C ATOM 1746 C ASN A 108 0.061 -9.446 8.132 1.00 0.63 C ATOM 1747 O ASN A 108 0.826 -9.727 9.033 1.00 0.66 O ATOM 1748 CB ASN A 108 0.495 -11.439 6.657 1.00 0.69 C ATOM 1749 CG ASN A 108 0.842 -12.586 7.613 1.00 1.07 C ATOM 1750 OD1 ASN A 108 0.534 -13.810 7.282 1.00 1.33 O flip ATOM 1751 ND2 ASN A 108 1.398 -12.365 8.670 1.00 1.35 N flip ATOM 0 H ASN A 108 -1.142 -10.229 5.246 1.00 0.59 H new ATOM 0 HA ASN A 108 -1.246 -11.131 7.927 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.146 -11.841 5.706 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.387 -10.849 6.445 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.639 -11.408 8.929 1.00 1.35 H new ATOM 0 HD22 ASN A 108 1.624 -13.136 9.298 1.00 1.35 H new ATOM 1758 N CYS A 109 -0.235 -8.209 7.864 1.00 0.61 N ATOM 1759 CA CYS A 109 0.366 -7.108 8.668 1.00 0.63 C ATOM 1760 C CYS A 109 1.894 -7.155 8.564 1.00 0.70 C ATOM 1761 O CYS A 109 2.578 -6.281 9.057 1.00 0.85 O ATOM 1762 CB CYS A 109 -0.056 -7.263 10.134 1.00 0.62 C ATOM 1763 SG CYS A 109 0.138 -5.678 10.986 1.00 0.66 S ATOM 0 H CYS A 109 -0.868 -7.909 7.122 1.00 0.61 H new ATOM 0 HA CYS A 109 0.015 -6.150 8.284 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -1.092 -7.595 10.192 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.551 -8.026 10.620 1.00 0.62 H new ATOM 0 HG CYS A 109 -0.221 -5.807 12.229 1.00 0.66 H new ATOM 1769 N ASP A 110 2.443 -8.156 7.924 1.00 0.72 N ATOM 1770 CA ASP A 110 3.914 -8.216 7.803 1.00 0.79 C ATOM 1771 C ASP A 110 4.372 -7.008 7.008 1.00 0.81 C ATOM 1772 O ASP A 110 3.612 -6.393 6.288 1.00 0.80 O ATOM 1773 CB ASP A 110 4.347 -9.508 7.096 1.00 0.84 C ATOM 1774 CG ASP A 110 3.756 -9.568 5.687 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.680 -8.533 5.046 1.00 0.98 O ATOM 1776 OD2 ASP A 110 3.395 -10.655 5.267 1.00 0.88 O ATOM 0 H ASP A 110 1.934 -8.924 7.486 1.00 0.72 H new ATOM 0 HA ASP A 110 4.366 -8.211 8.795 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.435 -9.554 7.043 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.019 -10.373 7.672 1.00 0.84 H new ATOM 1781 N LEU A 111 5.606 -6.663 7.139 1.00 0.89 N ATOM 1782 CA LEU A 111 6.153 -5.498 6.412 1.00 0.93 C ATOM 1783 C LEU A 111 6.836 -5.988 5.146 1.00 0.97 C ATOM 1784 O LEU A 111 6.541 -5.567 4.072 1.00 0.96 O ATOM 1785 CB LEU A 111 7.187 -4.803 7.305 1.00 1.02 C ATOM 1786 CG LEU A 111 6.491 -3.949 8.377 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.763 -2.752 7.733 1.00 1.09 C ATOM 1788 CD2 LEU A 111 5.489 -4.815 9.153 1.00 1.12 C ATOM 0 H LEU A 111 6.278 -7.149 7.733 1.00 0.89 H new ATOM 0 HA LEU A 111 5.354 -4.802 6.156 1.00 0.93 H new ATOM 0 HB2 LEU A 111 7.822 -5.549 7.783 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.836 -4.174 6.696 1.00 1.02 H new ATOM 0 HG LEU A 111 7.246 -3.563 9.062 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.277 -2.161 8.509 1.00 1.09 H new ATOM 0 HD12 LEU A 111 6.484 -2.131 7.202 1.00 1.09 H new ATOM 0 HD13 LEU A 111 5.012 -3.117 7.032 1.00 1.09 H new ATOM 0 HD21 LEU A 111 4.996 -4.209 9.913 1.00 1.12 H new ATOM 0 HD22 LEU A 111 4.743 -5.212 8.465 1.00 1.12 H new ATOM 0 HD23 LEU A 111 6.016 -5.640 9.633 1.00 1.12 H new ATOM 1800 N LYS A 112 7.762 -6.870 5.300 1.00 1.00 N ATOM 1801 CA LYS A 112 8.546 -7.407 4.154 1.00 1.04 C ATOM 1802 C LYS A 112 7.781 -7.409 2.825 1.00 1.02 C ATOM 1803 O LYS A 112 8.014 -6.597 1.943 1.00 1.04 O ATOM 1804 CB LYS A 112 8.877 -8.850 4.526 1.00 1.06 C ATOM 1805 CG LYS A 112 9.717 -9.503 3.428 1.00 1.12 C ATOM 1806 CD LYS A 112 10.511 -10.677 4.012 1.00 1.15 C ATOM 1807 CE LYS A 112 11.029 -11.565 2.879 1.00 1.20 C ATOM 1808 NZ LYS A 112 11.847 -12.670 3.452 1.00 1.17 N ATOM 0 H LYS A 112 8.025 -7.262 6.205 1.00 1.00 H new ATOM 0 HA LYS A 112 9.419 -6.774 3.995 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.420 -8.873 5.471 1.00 1.06 H new ATOM 0 HB3 LYS A 112 7.956 -9.415 4.673 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.071 -9.853 2.623 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.398 -8.771 2.994 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.346 -10.304 4.605 1.00 1.15 H new ATOM 0 HD3 LYS A 112 9.878 -11.259 4.682 1.00 1.15 H new ATOM 0 HE2 LYS A 112 10.193 -11.973 2.311 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.629 -10.976 2.185 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 12.200 -13.275 2.683 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 12.652 -12.271 3.976 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 11.261 -13.237 4.097 1.00 1.17 H new ATOM 1822 N SER A 113 6.904 -8.328 2.673 1.00 0.98 N ATOM 1823 CA SER A 113 6.133 -8.444 1.407 1.00 0.96 C ATOM 1824 C SER A 113 5.348 -7.153 1.116 1.00 0.92 C ATOM 1825 O SER A 113 5.509 -6.511 0.088 1.00 0.94 O ATOM 1826 CB SER A 113 5.156 -9.595 1.617 1.00 0.92 C ATOM 1827 OG SER A 113 4.936 -9.760 3.013 1.00 0.90 O ATOM 0 H SER A 113 6.673 -9.026 3.380 1.00 0.98 H new ATOM 0 HA SER A 113 6.801 -8.615 0.563 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.214 -9.388 1.108 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.556 -10.513 1.187 1.00 0.92 H new ATOM 0 HG SER A 113 4.186 -9.196 3.295 1.00 0.90 H new ATOM 1833 N THR A 114 4.489 -6.799 2.019 1.00 0.88 N ATOM 1834 CA THR A 114 3.647 -5.579 1.862 1.00 0.85 C ATOM 1835 C THR A 114 4.501 -4.428 1.306 1.00 0.89 C ATOM 1836 O THR A 114 4.084 -3.685 0.448 1.00 0.89 O ATOM 1837 CB THR A 114 3.046 -5.239 3.258 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.639 -5.403 3.210 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.357 -3.799 3.691 1.00 0.84 C ATOM 0 H THR A 114 4.327 -7.314 2.884 1.00 0.88 H new ATOM 0 HA THR A 114 2.835 -5.743 1.154 1.00 0.85 H new ATOM 0 HB THR A 114 3.499 -5.915 3.984 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.328 -5.803 4.049 1.00 0.76 H new ATOM 0 HG21 THR A 114 2.917 -3.610 4.670 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.437 -3.661 3.746 1.00 0.84 H new ATOM 0 HG23 THR A 114 2.938 -3.102 2.965 1.00 0.84 H new ATOM 1847 N LEU A 115 5.686 -4.282 1.802 1.00 0.95 N ATOM 1848 CA LEU A 115 6.575 -3.196 1.340 1.00 1.00 C ATOM 1849 C LEU A 115 6.889 -3.399 -0.134 1.00 1.02 C ATOM 1850 O LEU A 115 6.919 -2.470 -0.901 1.00 1.02 O ATOM 1851 CB LEU A 115 7.872 -3.248 2.149 1.00 1.06 C ATOM 1852 CG LEU A 115 7.630 -2.740 3.579 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.889 -2.987 4.413 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.299 -1.235 3.568 1.00 1.06 C ATOM 0 H LEU A 115 6.085 -4.882 2.524 1.00 0.95 H new ATOM 0 HA LEU A 115 6.090 -2.229 1.477 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.250 -4.270 2.178 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.636 -2.640 1.664 1.00 1.06 H new ATOM 0 HG LEU A 115 6.785 -3.275 4.012 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.728 -2.630 5.430 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.108 -4.055 4.434 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.730 -2.453 3.970 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.131 -0.892 4.589 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.131 -0.683 3.132 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.400 -1.064 2.975 1.00 1.06 H new ATOM 1866 N ARG A 116 7.130 -4.607 -0.532 1.00 1.03 N ATOM 1867 CA ARG A 116 7.456 -4.865 -1.965 1.00 1.05 C ATOM 1868 C ARG A 116 6.335 -4.327 -2.880 1.00 1.01 C ATOM 1869 O ARG A 116 6.581 -3.579 -3.805 1.00 1.04 O ATOM 1870 CB ARG A 116 7.609 -6.389 -2.139 1.00 1.04 C ATOM 1871 CG ARG A 116 8.786 -6.757 -3.064 1.00 1.10 C ATOM 1872 CD ARG A 116 8.382 -6.554 -4.526 1.00 1.10 C ATOM 1873 NE ARG A 116 8.152 -5.105 -4.776 1.00 1.16 N ATOM 1874 CZ ARG A 116 8.084 -4.656 -5.999 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.204 -5.479 -7.005 1.00 1.13 N ATOM 1876 NH2 ARG A 116 7.894 -3.384 -6.216 1.00 1.23 N ATOM 0 H ARG A 116 7.117 -5.432 0.067 1.00 1.03 H new ATOM 0 HA ARG A 116 8.378 -4.355 -2.243 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.759 -6.851 -1.163 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.686 -6.800 -2.548 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.652 -6.139 -2.828 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.079 -7.794 -2.899 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.164 -6.929 -5.187 1.00 1.10 H new ATOM 0 HD3 ARG A 116 7.478 -7.121 -4.748 1.00 1.10 H new ATOM 0 HE ARG A 116 8.047 -4.463 -3.991 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.351 -6.474 -6.835 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.151 -5.127 -7.961 1.00 1.13 H new ATOM 0 HH21 ARG A 116 7.799 -2.741 -5.430 1.00 1.23 H new ATOM 0 HH22 ARG A 116 7.841 -3.032 -7.172 1.00 1.23 H new ATOM 1890 N VAL A 117 5.116 -4.729 -2.645 1.00 0.95 N ATOM 1891 CA VAL A 117 3.988 -4.277 -3.521 1.00 0.91 C ATOM 1892 C VAL A 117 3.699 -2.779 -3.349 1.00 0.92 C ATOM 1893 O VAL A 117 3.438 -2.082 -4.312 1.00 0.94 O ATOM 1894 CB VAL A 117 2.726 -5.107 -3.189 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.455 -4.388 -3.667 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.813 -6.465 -3.894 1.00 0.85 C ATOM 0 H VAL A 117 4.848 -5.352 -1.883 1.00 0.95 H new ATOM 0 HA VAL A 117 4.275 -4.434 -4.561 1.00 0.91 H new ATOM 0 HB VAL A 117 2.676 -5.237 -2.108 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.581 -4.992 -3.422 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.377 -3.420 -3.173 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.504 -4.242 -4.746 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.925 -7.053 -3.662 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.876 -6.312 -4.971 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.700 -6.997 -3.551 1.00 0.85 H new ATOM 1906 N LEU A 118 3.715 -2.275 -2.156 1.00 0.91 N ATOM 1907 CA LEU A 118 3.406 -0.832 -1.985 1.00 0.92 C ATOM 1908 C LEU A 118 4.497 -0.019 -2.671 1.00 0.98 C ATOM 1909 O LEU A 118 4.232 0.984 -3.299 1.00 1.00 O ATOM 1910 CB LEU A 118 3.309 -0.481 -0.491 1.00 0.92 C ATOM 1911 CG LEU A 118 1.857 -0.660 0.010 1.00 0.86 C ATOM 1912 CD1 LEU A 118 0.931 0.411 -0.619 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.345 -2.077 -0.343 1.00 0.81 C ATOM 0 H LEU A 118 3.925 -2.788 -1.300 1.00 0.91 H new ATOM 0 HA LEU A 118 2.443 -0.598 -2.439 1.00 0.92 H new ATOM 0 HB2 LEU A 118 3.980 -1.119 0.084 1.00 0.92 H new ATOM 0 HB3 LEU A 118 3.632 0.548 -0.331 1.00 0.92 H new ATOM 0 HG LEU A 118 1.845 -0.537 1.093 1.00 0.86 H new ATOM 0 HD11 LEU A 118 -0.087 0.270 -0.256 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.282 1.405 -0.340 1.00 0.86 H new ATOM 0 HD13 LEU A 118 0.946 0.313 -1.704 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.322 -2.194 0.014 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.370 -2.214 -1.424 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.982 -2.823 0.132 1.00 0.81 H new ATOM 1925 N TYR A 119 5.717 -0.458 -2.589 1.00 1.03 N ATOM 1926 CA TYR A 119 6.801 0.275 -3.273 1.00 1.09 C ATOM 1927 C TYR A 119 6.459 0.309 -4.748 1.00 1.08 C ATOM 1928 O TYR A 119 6.423 1.342 -5.380 1.00 1.11 O ATOM 1929 CB TYR A 119 8.104 -0.487 -3.091 1.00 1.13 C ATOM 1930 CG TYR A 119 9.234 0.341 -3.629 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.702 1.433 -2.898 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.803 0.020 -4.858 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.751 2.212 -3.402 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.853 0.793 -5.368 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.328 1.891 -4.638 1.00 1.34 C ATOM 1936 OH TYR A 119 12.360 2.658 -5.139 1.00 1.41 O ATOM 0 H TYR A 119 6.007 -1.292 -2.078 1.00 1.03 H new ATOM 0 HA TYR A 119 6.907 1.282 -2.869 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.267 -0.707 -2.036 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.057 -1.443 -3.612 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.256 1.677 -1.945 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.434 -0.826 -5.419 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.115 3.059 -2.839 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.296 0.544 -6.321 1.00 1.31 H new ATOM 0 HH TYR A 119 12.645 2.298 -6.005 1.00 1.41 H new ATOM 1946 N ASN A 120 6.199 -0.840 -5.285 1.00 1.06 N ATOM 1947 CA ASN A 120 5.838 -0.950 -6.721 1.00 1.05 C ATOM 1948 C ASN A 120 4.820 0.148 -7.081 1.00 1.03 C ATOM 1949 O ASN A 120 4.869 0.732 -8.149 1.00 1.05 O ATOM 1950 CB ASN A 120 5.221 -2.350 -6.952 1.00 1.01 C ATOM 1951 CG ASN A 120 5.693 -2.926 -8.293 1.00 1.04 C ATOM 1952 OD1 ASN A 120 6.225 -4.017 -8.346 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.518 -2.232 -9.385 1.00 1.06 N ATOM 0 H ASN A 120 6.221 -1.727 -4.782 1.00 1.06 H new ATOM 0 HA ASN A 120 6.719 -0.823 -7.351 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.507 -3.019 -6.140 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.133 -2.282 -6.941 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.828 -2.606 -10.282 1.00 1.06 H new ATOM 0 HD22 ASN A 120 5.071 -1.316 -9.341 1.00 1.06 H new ATOM 1960 N LEU A 121 3.901 0.436 -6.196 1.00 0.99 N ATOM 1961 CA LEU A 121 2.896 1.489 -6.502 1.00 0.97 C ATOM 1962 C LEU A 121 3.566 2.851 -6.414 1.00 1.03 C ATOM 1963 O LEU A 121 3.658 3.551 -7.390 1.00 1.05 O ATOM 1964 CB LEU A 121 1.746 1.435 -5.487 1.00 0.92 C ATOM 1965 CG LEU A 121 0.625 0.518 -5.989 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.127 -0.924 -6.049 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.564 0.602 -5.031 1.00 0.87 C ATOM 0 H LEU A 121 3.806 -0.010 -5.283 1.00 0.99 H new ATOM 0 HA LEU A 121 2.499 1.324 -7.503 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.117 1.073 -4.528 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.355 2.438 -5.319 1.00 0.92 H new ATOM 0 HG LEU A 121 0.317 0.835 -6.986 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.327 -1.573 -6.406 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.976 -0.986 -6.730 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.436 -1.243 -5.054 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.363 -0.049 -5.385 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.252 0.286 -4.036 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.925 1.630 -4.988 1.00 0.87 H new ATOM 1979 N PHE A 122 4.023 3.236 -5.244 1.00 1.05 N ATOM 1980 CA PHE A 122 4.671 4.562 -5.089 1.00 1.11 C ATOM 1981 C PHE A 122 5.538 4.861 -6.285 1.00 1.16 C ATOM 1982 O PHE A 122 5.727 5.987 -6.666 1.00 1.20 O ATOM 1983 CB PHE A 122 5.554 4.520 -3.823 1.00 1.14 C ATOM 1984 CG PHE A 122 5.643 5.886 -3.212 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.480 6.471 -2.760 1.00 1.16 C ATOM 1986 CD2 PHE A 122 6.868 6.553 -3.097 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.512 7.745 -2.177 1.00 1.20 C ATOM 1988 CE2 PHE A 122 6.913 7.827 -2.518 1.00 1.29 C ATOM 1989 CZ PHE A 122 5.732 8.424 -2.057 1.00 1.27 C ATOM 0 H PHE A 122 3.971 2.680 -4.391 1.00 1.05 H new ATOM 0 HA PHE A 122 3.909 5.337 -5.005 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.137 3.817 -3.102 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.551 4.161 -4.077 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.541 5.946 -2.855 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.775 6.087 -3.453 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.600 8.202 -1.822 1.00 1.20 H new ATOM 0 HE2 PHE A 122 7.855 8.348 -2.427 1.00 1.29 H new ATOM 0 HZ PHE A 122 5.762 9.407 -1.610 1.00 1.27 H new ATOM 1999 N THR A 123 6.033 3.857 -6.885 1.00 1.15 N ATOM 2000 CA THR A 123 6.887 4.072 -8.074 1.00 1.20 C ATOM 2001 C THR A 123 6.018 4.481 -9.256 1.00 1.18 C ATOM 2002 O THR A 123 6.287 5.446 -9.942 1.00 1.22 O ATOM 2003 CB THR A 123 7.626 2.776 -8.411 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.231 2.258 -7.235 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.703 3.060 -9.459 1.00 1.27 C ATOM 0 H THR A 123 5.892 2.883 -6.615 1.00 1.15 H new ATOM 0 HA THR A 123 7.610 4.860 -7.864 1.00 1.20 H new ATOM 0 HB THR A 123 6.920 2.046 -8.807 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.547 1.836 -6.674 1.00 1.22 H new ATOM 0 HG21 THR A 123 9.230 2.136 -9.699 1.00 1.27 H new ATOM 0 HG22 THR A 123 8.237 3.457 -10.361 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.411 3.789 -9.065 1.00 1.27 H new ATOM 2013 N LYS A 124 4.994 3.732 -9.510 1.00 1.12 N ATOM 2014 CA LYS A 124 4.120 4.020 -10.673 1.00 1.10 C ATOM 2015 C LYS A 124 3.210 5.236 -10.472 1.00 1.10 C ATOM 2016 O LYS A 124 2.740 5.801 -11.441 1.00 1.11 O ATOM 2017 CB LYS A 124 3.256 2.795 -10.915 1.00 1.04 C ATOM 2018 CG LYS A 124 4.143 1.617 -11.306 1.00 1.04 C ATOM 2019 CD LYS A 124 3.305 0.321 -11.302 1.00 0.99 C ATOM 2020 CE LYS A 124 3.750 -0.576 -12.457 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.924 -1.812 -12.483 1.00 0.92 N ATOM 0 H LYS A 124 4.719 2.921 -8.956 1.00 1.12 H new ATOM 0 HA LYS A 124 4.764 4.253 -11.521 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.688 2.554 -10.016 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.532 2.997 -11.705 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.572 1.783 -12.294 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.976 1.527 -10.608 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.428 -0.201 -10.353 1.00 0.99 H new ATOM 0 HD3 LYS A 124 2.246 0.560 -11.400 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.652 -0.042 -13.402 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.803 -0.834 -12.344 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.544 -2.645 -12.435 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 2.277 -1.815 -11.668 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.372 -1.842 -13.364 1.00 0.92 H new ATOM 2035 N TYR A 125 2.922 5.641 -9.257 1.00 1.10 N ATOM 2036 CA TYR A 125 2.000 6.813 -9.065 1.00 1.11 C ATOM 2037 C TYR A 125 2.788 8.050 -8.618 1.00 1.17 C ATOM 2038 O TYR A 125 2.312 9.162 -8.700 1.00 1.20 O ATOM 2039 CB TYR A 125 0.944 6.457 -8.016 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.141 5.583 -8.634 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.177 4.327 -9.181 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.471 6.032 -8.656 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.830 3.532 -9.743 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.474 5.234 -9.220 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.154 3.985 -9.762 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.144 3.199 -10.317 1.00 0.86 O ATOM 0 H TYR A 125 3.278 5.219 -8.399 1.00 1.10 H new ATOM 0 HA TYR A 125 1.512 7.042 -10.012 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.412 5.933 -7.182 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.501 7.367 -7.612 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.198 3.975 -9.168 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.721 6.995 -8.237 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.584 2.568 -10.162 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.496 5.583 -9.236 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.006 3.661 -10.248 1.00 0.86 H new ATOM 2056 N ARG A 126 3.982 7.861 -8.142 1.00 1.20 N ATOM 2057 CA ARG A 126 4.820 9.000 -7.686 1.00 1.27 C ATOM 2058 C ARG A 126 4.720 10.174 -8.675 1.00 1.31 C ATOM 2059 O ARG A 126 4.850 11.325 -8.306 1.00 1.35 O ATOM 2060 CB ARG A 126 6.272 8.474 -7.571 1.00 1.31 C ATOM 2061 CG ARG A 126 7.282 9.503 -8.087 1.00 1.38 C ATOM 2062 CD ARG A 126 8.734 9.034 -7.824 1.00 1.42 C ATOM 2063 NE ARG A 126 9.551 10.167 -7.277 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.503 11.361 -7.810 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.811 11.575 -8.895 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.174 12.340 -7.267 1.00 1.59 N ATOM 0 H ARG A 126 4.422 6.946 -8.048 1.00 1.20 H new ATOM 0 HA ARG A 126 4.480 9.378 -6.722 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.493 8.235 -6.531 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.371 7.549 -8.138 1.00 1.31 H new ATOM 0 HG2 ARG A 126 7.134 9.659 -9.156 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.112 10.462 -7.598 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.734 8.202 -7.119 1.00 1.42 H new ATOM 0 HD3 ARG A 126 9.179 8.668 -8.749 1.00 1.42 H new ATOM 0 HE ARG A 126 10.157 10.003 -6.473 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.302 10.808 -9.335 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.779 12.509 -9.304 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.733 12.173 -6.430 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.139 13.272 -7.679 1.00 1.59 H new ATOM 2080 N ASN A 127 4.517 9.886 -9.922 1.00 1.30 N ATOM 2081 CA ASN A 127 4.436 10.961 -10.946 1.00 1.33 C ATOM 2082 C ASN A 127 3.008 11.478 -10.989 1.00 1.29 C ATOM 2083 O ASN A 127 2.728 12.577 -11.425 1.00 1.31 O ATOM 2084 CB ASN A 127 4.827 10.349 -12.303 1.00 1.35 C ATOM 2085 CG ASN A 127 6.286 10.684 -12.645 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.548 11.515 -13.492 1.00 1.46 O ATOM 2087 ND2 ASN A 127 7.249 10.069 -12.014 1.00 1.46 N ATOM 0 H ASN A 127 4.402 8.939 -10.284 1.00 1.30 H new ATOM 0 HA ASN A 127 5.106 11.789 -10.711 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.694 9.268 -12.273 1.00 1.35 H new ATOM 0 HB3 ASN A 127 4.168 10.730 -13.083 1.00 1.35 H new ATOM 0 HD21 ASN A 127 8.222 10.286 -12.232 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.029 9.371 -11.303 1.00 1.46 H new ATOM 2094 N VAL A 128 2.116 10.671 -10.533 1.00 1.23 N ATOM 2095 CA VAL A 128 0.681 11.034 -10.510 1.00 1.18 C ATOM 2096 C VAL A 128 0.310 11.456 -9.094 1.00 1.15 C ATOM 2097 O VAL A 128 0.861 10.989 -8.117 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.122 9.804 -10.941 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.587 9.930 -10.503 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.061 9.665 -12.465 1.00 1.17 C ATOM 0 H VAL A 128 2.323 9.744 -10.162 1.00 1.23 H new ATOM 0 HA VAL A 128 0.465 11.860 -11.187 1.00 1.18 H new ATOM 0 HB VAL A 128 0.311 8.923 -10.467 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.139 9.045 -10.820 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.636 10.019 -9.418 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.028 10.816 -10.960 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.632 8.790 -12.774 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.484 10.556 -12.929 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.977 9.550 -12.779 1.00 1.17 H new