USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 SER OG : rot -166:sc= -0.342 USER MOD Set 1.2: A 79 GLN : amide:sc= -3.31! C(o=-3.7!,f=-7.8!) USER MOD Set 2.1: A 57 MET CE :methyl -144:sc= -0.0299 (180deg=0) USER MOD Set 2.2: A 91 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.385 K(o=1.1,f=-14!) USER MOD Set 3.2: A 22 LYS NZ :NH3+ -106:sc= 0.754 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 26:sc= 0.293 USER MOD Single : A 13 HIS : no HD1:sc= -0.689 K(o=-0.69,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc=-0.00821 (180deg=-0.199) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc=-0.000671 (180deg=-0.0878) USER MOD Single : A 24 THR OG1 : rot 73:sc= 0.133 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -1.07 F(o=-6.5!,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0648) USER MOD Single : A 32 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-3.8!) USER MOD Single : A 34 ASN : amide:sc= -0.635 K(o=-0.64,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.81! C(o=-6.8!,f=-6.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.73! C(o=-1.7!,f=-5.3!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -111:sc= 0.246 (180deg=-0.917) USER MOD Single : A 83 ASN : amide:sc= -4.45! C(o=-4.4!,f=-9.4!) USER MOD Single : A 85 SER OG : rot -40:sc= 0.382 USER MOD Single : A 92 GLN : amide:sc= -2.06 K(o=-2.1,f=-5.9!) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc=-0.00489 (180deg=-0.177) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= -5.9! (180deg=-6.55!) USER MOD Single : A 108 ASN : amide:sc= -3.57! C(o=-3.6!,f=-3.3!) USER MOD Single : A 109 CYS SG : rot -41:sc= 0.0397 USER MOD Single : A 112 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.019) USER MOD Single : A 113 SER OG : rot 114:sc= -0.299 USER MOD Single : A 114 THR OG1 : rot 180:sc= -2.3 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 123 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 124 LYS NZ :NH3+ -115:sc= -11.4! (180deg=-15.8!) 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 19.454 -6.682 1.531 1.00 1.61 N ATOM 138 CA THR A 9 20.266 -5.578 2.132 1.00 1.66 C ATOM 139 C THR A 9 19.403 -4.672 2.997 1.00 1.62 C ATOM 140 O THR A 9 19.855 -4.124 3.982 1.00 1.65 O ATOM 141 CB THR A 9 20.911 -4.749 1.020 1.00 1.71 C ATOM 142 OG1 THR A 9 21.553 -5.615 0.096 1.00 1.71 O ATOM 143 CG2 THR A 9 21.938 -3.793 1.628 1.00 1.78 C ATOM 0 HA THR A 9 21.037 -6.026 2.759 1.00 1.66 H new ATOM 0 HB THR A 9 20.144 -4.173 0.502 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.125 -6.496 0.121 1.00 1.71 H new ATOM 0 HG21 THR A 9 22.398 -3.202 0.836 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.442 -3.128 2.336 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.707 -4.366 2.146 1.00 1.78 H new ATOM 151 N LEU A 10 18.176 -4.502 2.645 1.00 1.55 N ATOM 152 CA LEU A 10 17.297 -3.619 3.457 1.00 1.52 C ATOM 153 C LEU A 10 17.128 -4.230 4.860 1.00 1.51 C ATOM 154 O LEU A 10 17.410 -3.599 5.860 1.00 1.54 O ATOM 155 CB LEU A 10 15.933 -3.506 2.755 1.00 1.44 C ATOM 156 CG LEU A 10 15.900 -2.302 1.805 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.992 -2.434 0.738 1.00 1.48 C ATOM 158 CD2 LEU A 10 14.531 -2.244 1.122 1.00 1.36 C ATOM 0 H LEU A 10 17.735 -4.932 1.832 1.00 1.55 H new ATOM 0 HA LEU A 10 17.736 -2.626 3.556 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.731 -4.420 2.196 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.144 -3.407 3.500 1.00 1.44 H new ATOM 0 HG LEU A 10 16.075 -1.391 2.377 1.00 1.43 H new ATOM 0 HD11 LEU A 10 16.956 -1.572 0.072 1.00 1.48 H new ATOM 0 HD12 LEU A 10 17.968 -2.479 1.220 1.00 1.48 H new ATOM 0 HD13 LEU A 10 16.830 -3.345 0.162 1.00 1.48 H new ATOM 0 HD21 LEU A 10 14.498 -1.391 0.444 1.00 1.36 H new ATOM 0 HD22 LEU A 10 14.367 -3.162 0.558 1.00 1.36 H new ATOM 0 HD23 LEU A 10 13.752 -2.138 1.877 1.00 1.36 H new ATOM 170 N PHE A 11 16.665 -5.450 4.934 1.00 1.48 N ATOM 171 CA PHE A 11 16.463 -6.110 6.257 1.00 1.48 C ATOM 172 C PHE A 11 17.798 -6.606 6.811 1.00 1.55 C ATOM 173 O PHE A 11 17.948 -6.802 8.001 1.00 1.57 O ATOM 174 CB PHE A 11 15.513 -7.297 6.062 1.00 1.42 C ATOM 175 CG PHE A 11 14.106 -6.790 5.946 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.356 -6.473 7.083 1.00 1.34 C ATOM 177 CD2 PHE A 11 13.577 -6.607 4.689 1.00 1.31 C ATOM 178 CE1 PHE A 11 12.055 -5.977 6.938 1.00 1.27 C ATOM 179 CE2 PHE A 11 12.288 -6.108 4.529 1.00 1.25 C ATOM 180 CZ PHE A 11 11.520 -5.791 5.657 1.00 1.23 C ATOM 0 H PHE A 11 16.416 -6.022 4.127 1.00 1.48 H new ATOM 0 HA PHE A 11 16.040 -5.397 6.964 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.787 -7.853 5.166 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.596 -7.986 6.903 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.778 -6.610 8.068 1.00 1.34 H new ATOM 0 HD2 PHE A 11 14.168 -6.853 3.819 1.00 1.31 H new ATOM 0 HE1 PHE A 11 11.466 -5.739 7.811 1.00 1.27 H new ATOM 0 HE2 PHE A 11 11.881 -5.966 3.539 1.00 1.25 H new ATOM 0 HZ PHE A 11 10.518 -5.404 5.539 1.00 1.23 H new ATOM 190 N ASP A 12 18.765 -6.823 5.964 1.00 1.58 N ATOM 191 CA ASP A 12 20.091 -7.324 6.458 1.00 1.65 C ATOM 192 C ASP A 12 21.050 -6.158 6.715 1.00 1.70 C ATOM 193 O ASP A 12 22.115 -6.345 7.269 1.00 1.75 O ATOM 194 CB ASP A 12 20.717 -8.267 5.426 1.00 1.68 C ATOM 195 CG ASP A 12 19.728 -9.383 5.084 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.673 -9.422 5.696 1.00 1.58 O ATOM 197 OD2 ASP A 12 20.042 -10.181 4.215 1.00 1.65 O ATOM 0 H ASP A 12 18.702 -6.678 4.956 1.00 1.58 H new ATOM 0 HA ASP A 12 19.922 -7.860 7.392 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.981 -7.713 4.525 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.640 -8.693 5.820 1.00 1.68 H new ATOM 202 N HIS A 13 20.703 -4.957 6.315 1.00 1.70 N ATOM 203 CA HIS A 13 21.636 -3.806 6.549 1.00 1.76 C ATOM 204 C HIS A 13 20.867 -2.500 6.795 1.00 1.73 C ATOM 205 O HIS A 13 21.442 -1.432 6.734 1.00 1.77 O ATOM 206 CB HIS A 13 22.536 -3.631 5.323 1.00 1.80 C ATOM 207 CG HIS A 13 23.661 -2.687 5.653 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.078 -2.459 6.955 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.466 -1.908 4.860 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.092 -1.576 6.907 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.369 -1.208 5.653 1.00 1.95 N ATOM 0 H HIS A 13 19.829 -4.725 5.844 1.00 1.70 H new ATOM 0 HA HIS A 13 22.231 -4.026 7.435 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.937 -4.596 5.013 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.956 -3.243 4.486 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.407 -1.848 3.783 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.618 -1.209 7.776 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.088 -0.554 5.344 1.00 1.95 H new ATOM 219 N ALA A 14 19.591 -2.552 7.084 1.00 1.66 N ATOM 220 CA ALA A 14 18.856 -1.271 7.335 1.00 1.63 C ATOM 221 C ALA A 14 17.446 -1.522 7.887 1.00 1.56 C ATOM 222 O ALA A 14 16.472 -1.215 7.229 1.00 1.51 O ATOM 223 CB ALA A 14 18.742 -0.489 6.025 1.00 1.62 C ATOM 0 H ALA A 14 19.035 -3.404 7.156 1.00 1.66 H new ATOM 0 HA ALA A 14 19.418 -0.704 8.077 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.208 0.444 6.204 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.739 -0.269 5.645 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.198 -1.084 5.292 1.00 1.62 H new ATOM 229 N PRO A 15 17.366 -2.037 9.094 1.00 1.57 N ATOM 230 CA PRO A 15 16.068 -2.280 9.741 1.00 1.51 C ATOM 231 C PRO A 15 15.441 -0.928 10.130 1.00 1.50 C ATOM 232 O PRO A 15 14.272 -0.841 10.448 1.00 1.44 O ATOM 233 CB PRO A 15 16.410 -3.110 11.004 1.00 1.54 C ATOM 234 CG PRO A 15 17.958 -3.235 11.078 1.00 1.62 C ATOM 235 CD PRO A 15 18.539 -2.430 9.899 1.00 1.64 C ATOM 0 HA PRO A 15 15.356 -2.799 9.099 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.022 -2.624 11.899 1.00 1.54 H new ATOM 0 HB3 PRO A 15 15.948 -4.096 10.951 1.00 1.54 H new ATOM 0 HG2 PRO A 15 18.330 -2.849 12.027 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.263 -4.280 11.017 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.088 -1.556 10.250 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.236 -3.031 9.315 1.00 1.64 H new ATOM 243 N ASP A 16 16.227 0.121 10.128 1.00 1.55 N ATOM 244 CA ASP A 16 15.695 1.467 10.525 1.00 1.55 C ATOM 245 C ASP A 16 15.078 2.188 9.320 1.00 1.52 C ATOM 246 O ASP A 16 13.959 2.674 9.371 1.00 1.48 O ATOM 247 CB ASP A 16 16.840 2.314 11.084 1.00 1.63 C ATOM 248 CG ASP A 16 16.316 3.703 11.453 1.00 1.65 C ATOM 249 OD1 ASP A 16 15.255 3.775 12.052 1.00 1.68 O ATOM 250 OD2 ASP A 16 16.984 4.672 11.130 1.00 1.64 O ATOM 0 H ASP A 16 17.214 0.106 9.869 1.00 1.55 H new ATOM 0 HA ASP A 16 14.922 1.327 11.281 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.269 1.831 11.962 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.637 2.399 10.346 1.00 1.63 H new ATOM 255 N LYS A 17 15.795 2.272 8.238 1.00 1.55 N ATOM 256 CA LYS A 17 15.246 2.965 7.044 1.00 1.54 C ATOM 257 C LYS A 17 14.058 2.163 6.529 1.00 1.46 C ATOM 258 O LYS A 17 13.144 2.697 5.937 1.00 1.42 O ATOM 259 CB LYS A 17 16.321 3.069 5.962 1.00 1.59 C ATOM 260 CG LYS A 17 17.496 3.897 6.487 1.00 1.67 C ATOM 261 CD LYS A 17 18.588 3.974 5.419 1.00 1.72 C ATOM 262 CE LYS A 17 19.623 5.027 5.820 1.00 1.80 C ATOM 263 NZ LYS A 17 19.063 6.387 5.580 1.00 1.80 N ATOM 0 H LYS A 17 16.735 1.892 8.129 1.00 1.55 H new ATOM 0 HA LYS A 17 14.927 3.973 7.308 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.662 2.074 5.677 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.907 3.533 5.067 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.159 4.900 6.749 1.00 1.67 H new ATOM 0 HG3 LYS A 17 17.894 3.446 7.396 1.00 1.67 H new ATOM 0 HD2 LYS A 17 19.068 3.002 5.305 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.150 4.229 4.454 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.888 4.911 6.871 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.538 4.891 5.244 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 19.837 7.081 5.555 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 18.557 6.399 4.671 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 18.404 6.631 6.346 1.00 1.80 H new ATOM 277 N LEU A 18 14.052 0.883 6.775 1.00 1.43 N ATOM 278 CA LEU A 18 12.907 0.051 6.326 1.00 1.36 C ATOM 279 C LEU A 18 11.640 0.652 6.930 1.00 1.31 C ATOM 280 O LEU A 18 10.593 0.690 6.314 1.00 1.26 O ATOM 281 CB LEU A 18 13.103 -1.394 6.834 1.00 1.35 C ATOM 282 CG LEU A 18 13.671 -2.286 5.716 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.352 -3.504 6.338 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.536 -2.754 4.792 1.00 1.41 C ATOM 0 H LEU A 18 14.790 0.380 7.267 1.00 1.43 H new ATOM 0 HA LEU A 18 12.835 0.032 5.239 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.780 -1.397 7.689 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.151 -1.796 7.180 1.00 1.35 H new ATOM 0 HG LEU A 18 14.395 -1.715 5.134 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.755 -4.138 5.548 1.00 1.28 H new ATOM 0 HD12 LEU A 18 15.162 -3.175 6.989 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.625 -4.069 6.921 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.946 -3.385 4.003 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.808 -3.323 5.370 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.048 -1.887 4.347 1.00 1.41 H new ATOM 296 N ASN A 19 11.743 1.137 8.135 1.00 1.33 N ATOM 297 CA ASN A 19 10.561 1.755 8.789 1.00 1.29 C ATOM 298 C ASN A 19 10.241 3.059 8.067 1.00 1.30 C ATOM 299 O ASN A 19 9.116 3.313 7.685 1.00 1.25 O ATOM 300 CB ASN A 19 10.880 2.046 10.256 1.00 1.32 C ATOM 301 CG ASN A 19 9.635 2.607 10.944 1.00 1.27 C ATOM 302 OD1 ASN A 19 8.642 2.880 10.299 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.644 2.793 12.235 1.00 1.22 N ATOM 0 H ASN A 19 12.596 1.131 8.694 1.00 1.33 H new ATOM 0 HA ASN A 19 9.708 1.079 8.740 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.206 1.134 10.757 1.00 1.32 H new ATOM 0 HB3 ASN A 19 11.701 2.760 10.327 1.00 1.32 H new ATOM 0 HD21 ASN A 19 8.818 3.167 12.702 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.477 2.564 12.777 1.00 1.22 H new ATOM 310 N VAL A 20 11.231 3.884 7.869 1.00 1.36 N ATOM 311 CA VAL A 20 10.994 5.173 7.159 1.00 1.38 C ATOM 312 C VAL A 20 10.463 4.896 5.746 1.00 1.34 C ATOM 313 O VAL A 20 9.640 5.626 5.228 1.00 1.32 O ATOM 314 CB VAL A 20 12.307 5.951 7.064 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.064 7.283 6.352 1.00 1.48 C ATOM 316 CG2 VAL A 20 12.844 6.216 8.472 1.00 1.50 C ATOM 0 H VAL A 20 12.193 3.722 8.167 1.00 1.36 H new ATOM 0 HA VAL A 20 10.260 5.759 7.712 1.00 1.38 H new ATOM 0 HB VAL A 20 13.034 5.367 6.500 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.001 7.836 6.285 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.681 7.095 5.349 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.336 7.868 6.914 1.00 1.48 H new ATOM 0 HG21 VAL A 20 13.780 6.771 8.406 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.116 6.799 9.035 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.019 5.267 8.979 1.00 1.50 H new ATOM 326 N VAL A 21 10.925 3.849 5.113 1.00 1.33 N ATOM 327 CA VAL A 21 10.439 3.546 3.735 1.00 1.30 C ATOM 328 C VAL A 21 8.936 3.243 3.779 1.00 1.22 C ATOM 329 O VAL A 21 8.194 3.683 2.925 1.00 1.19 O ATOM 330 CB VAL A 21 11.217 2.351 3.153 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.493 1.802 1.917 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.630 2.800 2.744 1.00 1.38 C ATOM 0 H VAL A 21 11.613 3.195 5.488 1.00 1.33 H new ATOM 0 HA VAL A 21 10.606 4.410 3.091 1.00 1.30 H new ATOM 0 HB VAL A 21 11.281 1.573 3.913 1.00 1.30 H new ATOM 0 HG11 VAL A 21 11.052 0.957 1.513 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.492 1.474 2.197 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.420 2.584 1.161 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.177 1.951 2.333 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.559 3.585 1.991 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.157 3.182 3.618 1.00 1.38 H new ATOM 342 N LYS A 22 8.461 2.525 4.767 1.00 1.19 N ATOM 343 CA LYS A 22 7.004 2.263 4.818 1.00 1.12 C ATOM 344 C LYS A 22 6.330 3.609 5.020 1.00 1.12 C ATOM 345 O LYS A 22 5.338 3.885 4.422 1.00 1.09 O ATOM 346 CB LYS A 22 6.689 1.281 5.971 1.00 1.09 C ATOM 347 CG LYS A 22 5.236 1.447 6.516 1.00 1.03 C ATOM 348 CD LYS A 22 5.197 1.080 8.007 1.00 1.03 C ATOM 349 CE LYS A 22 5.727 2.256 8.845 1.00 1.09 C ATOM 350 NZ LYS A 22 6.413 1.730 10.061 1.00 1.14 N ATOM 0 H LYS A 22 9.013 2.119 5.523 1.00 1.19 H new ATOM 0 HA LYS A 22 6.639 1.798 3.902 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.828 0.258 5.621 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.399 1.439 6.783 1.00 1.09 H new ATOM 0 HG2 LYS A 22 4.900 2.474 6.376 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.552 0.809 5.956 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.177 0.839 8.305 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.801 0.191 8.188 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.420 2.855 8.254 1.00 1.09 H new ATOM 0 HE3 LYS A 22 4.905 2.911 9.133 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 5.813 1.891 10.895 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.585 0.710 9.949 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.321 2.222 10.188 1.00 1.14 H new ATOM 364 N LYS A 23 6.860 4.426 5.883 1.00 1.17 N ATOM 365 CA LYS A 23 6.240 5.763 6.154 1.00 1.18 C ATOM 366 C LYS A 23 6.096 6.581 4.861 1.00 1.20 C ATOM 367 O LYS A 23 5.203 7.397 4.729 1.00 1.20 O ATOM 368 CB LYS A 23 7.118 6.536 7.141 1.00 1.25 C ATOM 369 CG LYS A 23 7.060 5.868 8.522 1.00 1.23 C ATOM 370 CD LYS A 23 7.658 6.802 9.593 1.00 1.29 C ATOM 371 CE LYS A 23 6.582 7.756 10.132 1.00 1.36 C ATOM 372 NZ LYS A 23 5.694 7.021 11.076 1.00 1.39 N ATOM 0 H LYS A 23 7.704 4.229 6.420 1.00 1.17 H new ATOM 0 HA LYS A 23 5.247 5.602 6.573 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.147 6.563 6.783 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.778 7.569 7.212 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.027 5.628 8.774 1.00 1.23 H new ATOM 0 HG3 LYS A 23 7.610 4.927 8.502 1.00 1.23 H new ATOM 0 HD2 LYS A 23 8.072 6.211 10.410 1.00 1.29 H new ATOM 0 HD3 LYS A 23 8.481 7.375 9.166 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.050 8.600 10.639 1.00 1.36 H new ATOM 0 HE3 LYS A 23 5.996 8.164 9.308 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 5.123 7.702 11.617 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.064 6.390 10.540 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.274 6.458 11.731 1.00 1.39 H new ATOM 386 N THR A 24 6.955 6.377 3.904 1.00 1.22 N ATOM 387 CA THR A 24 6.838 7.158 2.634 1.00 1.24 C ATOM 388 C THR A 24 5.736 6.526 1.796 1.00 1.18 C ATOM 389 O THR A 24 4.985 7.191 1.103 1.00 1.18 O ATOM 390 CB THR A 24 8.174 7.115 1.880 1.00 1.30 C ATOM 391 OG1 THR A 24 9.214 7.539 2.751 1.00 1.36 O ATOM 392 CG2 THR A 24 8.131 8.038 0.652 1.00 1.31 C ATOM 0 H THR A 24 7.727 5.711 3.940 1.00 1.22 H new ATOM 0 HA THR A 24 6.596 8.200 2.842 1.00 1.24 H new ATOM 0 HB THR A 24 8.358 6.094 1.544 1.00 1.30 H new ATOM 0 HG1 THR A 24 9.392 6.839 3.414 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.087 7.994 0.130 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.336 7.714 -0.019 1.00 1.31 H new ATOM 0 HG23 THR A 24 7.939 9.062 0.973 1.00 1.31 H new ATOM 400 N LEU A 25 5.602 5.245 1.903 1.00 1.13 N ATOM 401 CA LEU A 25 4.527 4.551 1.176 1.00 1.07 C ATOM 402 C LEU A 25 3.207 5.015 1.800 1.00 1.03 C ATOM 403 O LEU A 25 2.189 5.138 1.135 1.00 0.99 O ATOM 404 CB LEU A 25 4.747 3.047 1.343 1.00 1.03 C ATOM 405 CG LEU A 25 6.077 2.666 0.659 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.473 1.207 1.001 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.958 2.864 -0.873 1.00 1.09 C ATOM 0 H LEU A 25 6.199 4.644 2.470 1.00 1.13 H new ATOM 0 HA LEU A 25 4.514 4.772 0.109 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.776 2.784 2.400 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.921 2.492 0.899 1.00 1.03 H new ATOM 0 HG LEU A 25 6.865 3.319 1.034 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.413 0.960 0.508 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.591 1.105 2.080 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.693 0.528 0.656 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.900 2.593 -1.349 1.00 1.09 H new ATOM 0 HD22 LEU A 25 5.160 2.231 -1.261 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.730 3.908 -1.088 1.00 1.09 H new ATOM 419 N ILE A 26 3.239 5.334 3.076 1.00 1.04 N ATOM 420 CA ILE A 26 2.022 5.850 3.742 1.00 1.01 C ATOM 421 C ILE A 26 1.702 7.181 3.092 1.00 1.05 C ATOM 422 O ILE A 26 0.577 7.492 2.863 1.00 1.02 O ATOM 423 CB ILE A 26 2.253 6.087 5.250 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.615 4.770 5.937 1.00 0.99 C ATOM 425 CG2 ILE A 26 0.974 6.641 5.898 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.723 4.979 7.451 1.00 1.01 C ATOM 0 H ILE A 26 4.061 5.255 3.675 1.00 1.04 H new ATOM 0 HA ILE A 26 1.215 5.125 3.638 1.00 1.01 H new ATOM 0 HB ILE A 26 3.067 6.802 5.366 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.858 4.017 5.719 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.560 4.394 5.545 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.147 6.805 6.962 1.00 1.02 H new ATOM 0 HG22 ILE A 26 0.706 7.585 5.424 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.161 5.926 5.768 1.00 1.02 H new ATOM 0 HD11 ILE A 26 2.981 4.035 7.931 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.497 5.717 7.662 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.768 5.334 7.838 1.00 1.01 H new ATOM 438 N THR A 27 2.693 7.980 2.816 1.00 1.11 N ATOM 439 CA THR A 27 2.420 9.310 2.199 1.00 1.15 C ATOM 440 C THR A 27 1.696 9.145 0.846 1.00 1.12 C ATOM 441 O THR A 27 0.802 9.896 0.530 1.00 1.12 O ATOM 442 CB THR A 27 3.747 10.067 2.016 1.00 1.23 C ATOM 443 OG1 THR A 27 4.220 10.486 3.290 1.00 1.27 O ATOM 444 CG2 THR A 27 3.540 11.300 1.126 1.00 1.27 C ATOM 0 H THR A 27 3.677 7.773 2.989 1.00 1.11 H new ATOM 0 HA THR A 27 1.768 9.883 2.858 1.00 1.15 H new ATOM 0 HB THR A 27 4.472 9.406 1.542 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.067 10.968 3.182 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.488 11.825 1.006 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.173 10.986 0.149 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.813 11.966 1.590 1.00 1.27 H new ATOM 452 N PHE A 28 2.063 8.177 0.049 1.00 1.10 N ATOM 453 CA PHE A 28 1.379 7.997 -1.277 1.00 1.07 C ATOM 454 C PHE A 28 -0.118 7.709 -1.046 1.00 1.01 C ATOM 455 O PHE A 28 -1.000 8.378 -1.588 1.00 1.02 O ATOM 456 CB PHE A 28 2.084 6.841 -2.046 1.00 1.05 C ATOM 457 CG PHE A 28 1.113 6.030 -2.883 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.526 6.601 -4.015 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.804 4.711 -2.522 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.375 5.856 -4.785 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.095 3.966 -3.294 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.686 4.540 -4.425 1.00 1.00 C ATOM 0 H PHE A 28 2.802 7.504 0.252 1.00 1.10 H new ATOM 0 HA PHE A 28 1.450 8.903 -1.879 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.858 7.256 -2.692 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.582 6.184 -1.333 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.767 7.616 -4.296 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.260 4.270 -1.648 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.831 6.298 -5.659 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.332 2.949 -3.017 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.382 3.967 -5.020 1.00 1.00 H new ATOM 472 N VAL A 29 -0.421 6.730 -0.247 1.00 0.97 N ATOM 473 CA VAL A 29 -1.852 6.421 0.007 1.00 0.92 C ATOM 474 C VAL A 29 -2.510 7.607 0.724 1.00 0.95 C ATOM 475 O VAL A 29 -3.598 8.015 0.380 1.00 0.94 O ATOM 476 CB VAL A 29 -1.955 5.156 0.862 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.420 4.710 0.957 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.125 4.044 0.207 1.00 0.85 C ATOM 0 H VAL A 29 0.251 6.135 0.237 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.368 6.250 -0.938 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.579 5.361 1.864 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.487 3.809 1.567 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.013 5.502 1.414 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.802 4.501 -0.042 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.192 3.138 0.809 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.509 3.844 -0.793 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.084 4.359 0.140 1.00 0.85 H new ATOM 488 N ASN A 30 -1.849 8.169 1.704 1.00 0.99 N ATOM 489 CA ASN A 30 -2.412 9.328 2.444 1.00 1.03 C ATOM 490 C ASN A 30 -2.662 10.453 1.467 1.00 1.06 C ATOM 491 O ASN A 30 -3.368 11.376 1.739 1.00 1.09 O ATOM 492 CB ASN A 30 -1.409 9.812 3.505 1.00 1.08 C ATOM 493 CG ASN A 30 -2.155 10.470 4.659 1.00 1.08 C ATOM 494 OD1 ASN A 30 -3.215 9.883 5.112 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.769 11.514 5.146 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.929 7.866 2.024 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.340 9.029 2.932 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.821 8.971 3.873 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.710 10.520 3.061 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -0.932 11.968 4.781 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.282 11.936 5.920 1.00 1.06 H new ATOM 502 N LYS A 31 -2.060 10.378 0.338 1.00 1.07 N ATOM 503 CA LYS A 31 -2.226 11.446 -0.662 1.00 1.11 C ATOM 504 C LYS A 31 -3.600 11.304 -1.264 1.00 1.06 C ATOM 505 O LYS A 31 -4.400 12.216 -1.231 1.00 1.08 O ATOM 506 CB LYS A 31 -1.152 11.308 -1.754 1.00 1.13 C ATOM 507 CG LYS A 31 -1.003 12.638 -2.521 1.00 1.18 C ATOM 508 CD LYS A 31 -0.022 13.576 -1.788 1.00 1.19 C ATOM 509 CE LYS A 31 1.419 13.270 -2.215 1.00 1.23 C ATOM 510 NZ LYS A 31 1.678 13.875 -3.552 1.00 1.29 N ATOM 0 H LYS A 31 -1.449 9.612 0.056 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.117 12.426 -0.198 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.199 11.030 -1.305 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.424 10.510 -2.444 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.644 12.444 -3.532 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -1.975 13.121 -2.616 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.263 14.615 -2.013 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.124 13.451 -0.710 1.00 1.19 H new ATOM 0 HE2 LYS A 31 2.120 13.668 -1.481 1.00 1.23 H new ATOM 0 HE3 LYS A 31 1.577 12.192 -2.254 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 2.698 13.848 -3.754 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 1.166 13.338 -4.281 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.351 14.862 -3.556 1.00 1.29 H new ATOM 524 N HIS A 32 -3.903 10.158 -1.794 1.00 1.01 N ATOM 525 CA HIS A 32 -5.210 9.965 -2.373 1.00 0.97 C ATOM 526 C HIS A 32 -6.224 9.917 -1.231 1.00 0.95 C ATOM 527 O HIS A 32 -7.369 10.269 -1.379 1.00 0.95 O ATOM 528 CB HIS A 32 -5.141 8.640 -3.144 1.00 0.91 C ATOM 529 CG HIS A 32 -5.053 8.893 -4.624 1.00 0.93 C ATOM 530 ND1 HIS A 32 -4.045 8.348 -5.400 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.812 9.656 -5.473 1.00 0.98 C ATOM 532 CE1 HIS A 32 -4.219 8.788 -6.656 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.282 9.590 -6.757 1.00 0.98 N ATOM 0 H HIS A 32 -3.280 9.352 -1.841 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.512 10.763 -3.051 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.274 8.066 -2.815 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -6.023 8.039 -2.924 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -6.687 10.221 -5.188 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -3.577 8.525 -7.484 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -5.630 10.054 -7.596 1.00 0.98 H new ATOM 541 N LEU A 33 -5.797 9.524 -0.073 1.00 0.95 N ATOM 542 CA LEU A 33 -6.731 9.496 1.074 1.00 0.94 C ATOM 543 C LEU A 33 -6.850 10.936 1.571 1.00 1.01 C ATOM 544 O LEU A 33 -7.925 11.409 1.883 1.00 1.02 O ATOM 545 CB LEU A 33 -6.156 8.572 2.158 1.00 0.92 C ATOM 546 CG LEU A 33 -6.743 7.148 2.055 1.00 0.85 C ATOM 547 CD1 LEU A 33 -6.024 6.231 3.058 1.00 0.82 C ATOM 548 CD2 LEU A 33 -8.258 7.159 2.361 1.00 0.84 C ATOM 0 H LEU A 33 -4.844 9.222 0.129 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.715 9.114 0.803 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.071 8.528 2.062 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.372 8.986 3.143 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.597 6.779 1.040 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -6.435 5.224 2.989 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.959 6.205 2.828 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -6.168 6.613 4.069 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.652 6.146 2.283 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.423 7.536 3.371 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.769 7.803 1.646 1.00 0.84 H new ATOM 560 N ASN A 34 -5.751 11.650 1.627 1.00 1.05 N ATOM 561 CA ASN A 34 -5.827 13.064 2.079 1.00 1.12 C ATOM 562 C ASN A 34 -6.799 13.836 1.175 1.00 1.14 C ATOM 563 O ASN A 34 -7.343 14.844 1.580 1.00 1.18 O ATOM 564 CB ASN A 34 -4.441 13.729 2.027 1.00 1.18 C ATOM 565 CG ASN A 34 -4.581 15.244 2.212 1.00 1.25 C ATOM 566 OD1 ASN A 34 -4.975 15.945 1.301 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.273 15.779 3.361 1.00 1.29 N ATOM 0 H ASN A 34 -4.819 11.316 1.382 1.00 1.05 H new ATOM 0 HA ASN A 34 -6.182 13.082 3.109 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.801 13.316 2.807 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.960 13.513 1.073 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.363 16.786 3.495 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.942 15.190 4.125 1.00 1.29 H new ATOM 574 N LYS A 35 -7.028 13.390 -0.050 1.00 1.11 N ATOM 575 CA LYS A 35 -7.979 14.150 -0.934 1.00 1.13 C ATOM 576 C LYS A 35 -9.252 14.425 -0.123 1.00 1.11 C ATOM 577 O LYS A 35 -9.604 15.557 0.146 1.00 1.16 O ATOM 578 CB LYS A 35 -8.320 13.295 -2.191 1.00 1.10 C ATOM 579 CG LYS A 35 -8.065 14.069 -3.529 1.00 0.97 C ATOM 580 CD LYS A 35 -6.878 13.456 -4.295 1.00 1.01 C ATOM 581 CE LYS A 35 -5.577 13.646 -3.506 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.033 15.011 -3.758 1.00 1.15 N ATOM 0 H LYS A 35 -6.609 12.557 -0.463 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.533 15.087 -1.266 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.720 12.385 -2.181 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.365 12.988 -2.146 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.960 14.037 -4.150 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -7.863 15.119 -3.315 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -7.056 12.394 -4.465 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.788 13.925 -5.275 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.763 13.509 -2.441 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -4.847 12.892 -3.802 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -4.151 15.138 -3.222 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -4.841 15.126 -4.774 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.728 15.723 -3.455 1.00 1.15 H new ATOM 596 N LEU A 36 -9.918 13.386 0.293 1.00 1.04 N ATOM 597 CA LEU A 36 -11.146 13.569 1.121 1.00 1.02 C ATOM 598 C LEU A 36 -10.712 13.872 2.563 1.00 1.05 C ATOM 599 O LEU A 36 -11.499 13.875 3.485 1.00 1.03 O ATOM 600 CB LEU A 36 -11.965 12.285 1.071 1.00 0.95 C ATOM 601 CG LEU A 36 -13.431 12.549 1.474 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.223 13.094 0.274 1.00 0.97 C ATOM 603 CD2 LEU A 36 -14.084 11.236 1.930 1.00 0.89 C ATOM 0 H LEU A 36 -9.667 12.417 0.097 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.754 14.392 0.745 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.930 11.866 0.065 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.528 11.544 1.740 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.442 13.279 2.283 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.256 13.276 0.572 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.773 14.027 -0.065 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.202 12.366 -0.537 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -15.119 11.424 2.214 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -14.057 10.514 1.114 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.540 10.837 2.786 1.00 0.89 H new ATOM 615 N ASN A 37 -9.446 14.126 2.721 1.00 1.11 N ATOM 616 CA ASN A 37 -8.836 14.463 4.038 1.00 1.16 C ATOM 617 C ASN A 37 -9.060 13.373 5.086 1.00 1.11 C ATOM 618 O ASN A 37 -9.859 13.494 5.990 1.00 1.12 O ATOM 619 CB ASN A 37 -9.329 15.831 4.511 1.00 1.22 C ATOM 620 CG ASN A 37 -10.750 15.776 5.083 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.942 15.500 6.251 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.761 16.065 4.310 1.00 1.21 N ATOM 0 H ASN A 37 -8.776 14.113 1.952 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.756 14.518 3.901 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.649 16.216 5.271 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.303 16.532 3.676 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.709 16.059 4.686 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.603 16.297 3.329 1.00 1.21 H new ATOM 629 N LEU A 38 -8.301 12.316 4.974 1.00 1.06 N ATOM 630 CA LEU A 38 -8.378 11.181 5.960 1.00 1.02 C ATOM 631 C LEU A 38 -7.033 11.108 6.703 1.00 1.02 C ATOM 632 O LEU A 38 -6.347 12.100 6.850 1.00 1.06 O ATOM 633 CB LEU A 38 -8.646 9.859 5.213 1.00 0.98 C ATOM 634 CG LEU A 38 -10.153 9.657 4.953 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.882 9.250 6.246 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.774 10.942 4.401 1.00 1.02 C ATOM 0 H LEU A 38 -7.616 12.182 4.230 1.00 1.06 H new ATOM 0 HA LEU A 38 -9.190 11.344 6.669 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.108 9.859 4.265 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.261 9.024 5.798 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.263 8.858 4.220 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.943 9.113 6.038 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.463 8.317 6.622 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.757 10.031 6.996 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.838 10.784 4.222 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.643 11.749 5.122 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.285 11.210 3.465 1.00 1.02 H new ATOM 648 N GLU A 39 -6.651 9.953 7.175 1.00 1.02 N ATOM 649 CA GLU A 39 -5.351 9.842 7.909 1.00 1.03 C ATOM 650 C GLU A 39 -4.957 8.369 8.118 1.00 0.98 C ATOM 651 O GLU A 39 -5.602 7.650 8.856 1.00 0.95 O ATOM 652 CB GLU A 39 -5.493 10.518 9.274 1.00 1.08 C ATOM 653 CG GLU A 39 -4.105 10.749 9.878 1.00 1.11 C ATOM 654 CD GLU A 39 -4.249 11.181 11.339 1.00 1.16 C ATOM 655 OE1 GLU A 39 -4.279 10.311 12.193 1.00 1.13 O ATOM 656 OE2 GLU A 39 -4.325 12.375 11.578 1.00 1.24 O ATOM 0 H GLU A 39 -7.177 9.084 7.087 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.575 10.327 7.317 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -6.018 11.468 9.168 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -6.091 9.896 9.939 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -3.513 9.836 9.814 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -3.573 11.514 9.312 1.00 1.11 H new ATOM 663 N VAL A 40 -3.882 7.921 7.498 1.00 0.98 N ATOM 664 CA VAL A 40 -3.419 6.500 7.687 1.00 0.94 C ATOM 665 C VAL A 40 -2.101 6.517 8.468 1.00 0.95 C ATOM 666 O VAL A 40 -1.410 7.517 8.505 1.00 0.99 O ATOM 667 CB VAL A 40 -3.207 5.832 6.319 1.00 0.91 C ATOM 668 CG1 VAL A 40 -2.315 6.715 5.423 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.551 4.459 6.526 1.00 0.89 C ATOM 0 H VAL A 40 -3.305 8.479 6.869 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.171 5.934 8.237 1.00 0.94 H new ATOM 0 HB VAL A 40 -4.171 5.706 5.826 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -2.174 6.229 4.458 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.793 7.683 5.275 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -1.346 6.858 5.902 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.398 3.980 5.559 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.590 4.586 7.024 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.199 3.835 7.142 1.00 0.89 H new ATOM 679 N THR A 41 -1.749 5.427 9.109 1.00 0.93 N ATOM 680 CA THR A 41 -0.476 5.399 9.903 1.00 0.95 C ATOM 681 C THR A 41 0.206 4.035 9.785 1.00 0.91 C ATOM 682 O THR A 41 1.408 3.930 9.927 1.00 0.96 O ATOM 683 CB THR A 41 -0.799 5.649 11.383 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.863 6.585 11.484 1.00 1.12 O ATOM 685 CG2 THR A 41 0.436 6.197 12.106 1.00 1.20 C ATOM 0 H THR A 41 -2.285 4.559 9.118 1.00 0.93 H new ATOM 0 HA THR A 41 0.189 6.170 9.515 1.00 0.95 H new ATOM 0 HB THR A 41 -1.094 4.708 11.847 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.071 6.744 12.429 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.196 6.371 13.155 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.250 5.475 12.035 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.742 7.135 11.643 1.00 1.20 H new ATOM 693 N GLU A 42 -0.547 2.986 9.558 1.00 0.86 N ATOM 694 CA GLU A 42 0.067 1.624 9.461 1.00 0.83 C ATOM 695 C GLU A 42 -0.272 1.018 8.110 1.00 0.81 C ATOM 696 O GLU A 42 -1.196 0.244 7.984 1.00 0.88 O ATOM 697 CB GLU A 42 -0.495 0.739 10.576 1.00 0.78 C ATOM 698 CG GLU A 42 0.079 1.185 11.923 1.00 0.77 C ATOM 699 CD GLU A 42 -0.493 0.306 13.037 1.00 0.78 C ATOM 700 OE1 GLU A 42 -1.662 0.464 13.348 1.00 0.84 O ATOM 701 OE2 GLU A 42 0.248 -0.510 13.560 1.00 0.83 O ATOM 0 H GLU A 42 -1.559 3.014 9.436 1.00 0.86 H new ATOM 0 HA GLU A 42 1.150 1.697 9.565 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.583 0.805 10.593 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.242 -0.304 10.389 1.00 0.78 H new ATOM 0 HG2 GLU A 42 1.166 1.112 11.909 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.168 2.231 12.107 1.00 0.77 H new ATOM 708 N LEU A 43 0.468 1.354 7.092 1.00 0.80 N ATOM 709 CA LEU A 43 0.162 0.783 5.763 1.00 0.78 C ATOM 710 C LEU A 43 0.183 -0.742 5.877 1.00 0.74 C ATOM 711 O LEU A 43 -0.656 -1.434 5.340 1.00 0.70 O ATOM 712 CB LEU A 43 1.197 1.278 4.742 1.00 0.86 C ATOM 713 CG LEU A 43 0.613 1.283 3.314 1.00 0.83 C ATOM 714 CD1 LEU A 43 -0.098 -0.046 3.011 1.00 0.85 C ATOM 715 CD2 LEU A 43 -0.377 2.469 3.145 1.00 0.90 C ATOM 0 H LEU A 43 1.262 1.993 7.126 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.824 1.101 5.423 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.522 2.284 5.008 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.079 0.638 4.775 1.00 0.86 H new ATOM 0 HG LEU A 43 1.435 1.402 2.608 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -0.502 -0.020 1.999 1.00 0.85 H new ATOM 0 HD12 LEU A 43 0.614 -0.867 3.097 1.00 0.85 H new ATOM 0 HD13 LEU A 43 -0.910 -0.194 3.722 1.00 0.85 H new ATOM 0 HD21 LEU A 43 -0.783 2.463 2.133 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -1.191 2.369 3.863 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.147 3.408 3.320 1.00 0.90 H new ATOM 727 N GLU A 44 1.141 -1.275 6.573 1.00 0.79 N ATOM 728 CA GLU A 44 1.215 -2.759 6.711 1.00 0.77 C ATOM 729 C GLU A 44 -0.162 -3.355 7.088 1.00 0.69 C ATOM 730 O GLU A 44 -0.736 -4.166 6.377 1.00 0.70 O ATOM 731 CB GLU A 44 2.236 -3.122 7.817 1.00 0.83 C ATOM 732 CG GLU A 44 3.088 -1.910 8.175 1.00 0.84 C ATOM 733 CD GLU A 44 4.136 -2.314 9.213 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.788 -3.049 10.123 1.00 1.14 O ATOM 735 OE2 GLU A 44 5.269 -1.884 9.079 1.00 1.11 O ATOM 0 H GLU A 44 1.875 -0.754 7.052 1.00 0.79 H new ATOM 0 HA GLU A 44 1.525 -3.174 5.752 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.710 -3.479 8.703 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.876 -3.936 7.477 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.576 -1.519 7.283 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.458 -1.113 8.569 1.00 0.84 H new ATOM 742 N THR A 45 -0.672 -2.980 8.222 1.00 0.65 N ATOM 743 CA THR A 45 -1.970 -3.541 8.685 1.00 0.60 C ATOM 744 C THR A 45 -3.137 -2.921 7.921 1.00 0.58 C ATOM 745 O THR A 45 -4.275 -3.295 8.113 1.00 0.58 O ATOM 746 CB THR A 45 -2.131 -3.282 10.194 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.119 -4.161 10.713 1.00 0.84 O ATOM 748 CG2 THR A 45 -2.559 -1.825 10.460 1.00 0.64 C ATOM 0 H THR A 45 -0.244 -2.304 8.855 1.00 0.65 H new ATOM 0 HA THR A 45 -1.974 -4.614 8.495 1.00 0.60 H new ATOM 0 HB THR A 45 -1.172 -3.457 10.682 1.00 0.65 H new ATOM 0 HG1 THR A 45 -3.226 -4.002 11.674 1.00 0.84 H new ATOM 0 HG21 THR A 45 -2.666 -1.667 11.533 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.802 -1.146 10.067 1.00 0.64 H new ATOM 0 HG23 THR A 45 -3.512 -1.630 9.968 1.00 0.64 H new ATOM 756 N GLN A 46 -2.886 -1.990 7.049 1.00 0.59 N ATOM 757 CA GLN A 46 -4.013 -1.395 6.300 1.00 0.59 C ATOM 758 C GLN A 46 -4.429 -2.392 5.231 1.00 0.54 C ATOM 759 O GLN A 46 -5.535 -2.359 4.729 1.00 0.58 O ATOM 760 CB GLN A 46 -3.600 -0.076 5.659 1.00 0.65 C ATOM 761 CG GLN A 46 -3.595 1.052 6.723 1.00 0.66 C ATOM 762 CD GLN A 46 -4.919 1.825 6.688 1.00 0.78 C ATOM 763 OE1 GLN A 46 -5.205 2.519 5.733 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.741 1.735 7.698 1.00 1.04 N ATOM 0 H GLN A 46 -1.961 -1.621 6.827 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.843 -1.184 6.974 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.609 -0.173 5.215 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.288 0.177 4.852 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.442 0.625 7.714 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.764 1.733 6.537 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.501 1.152 8.500 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.623 2.247 7.685 1.00 1.04 H new ATOM 773 N PHE A 47 -3.557 -3.317 4.908 1.00 0.50 N ATOM 774 CA PHE A 47 -3.913 -4.345 3.914 1.00 0.49 C ATOM 775 C PHE A 47 -4.605 -5.430 4.695 1.00 0.46 C ATOM 776 O PHE A 47 -5.349 -6.225 4.166 1.00 0.49 O ATOM 777 CB PHE A 47 -2.650 -4.914 3.249 1.00 0.54 C ATOM 778 CG PHE A 47 -2.350 -4.192 1.951 1.00 0.63 C ATOM 779 CD1 PHE A 47 -3.147 -4.424 0.824 1.00 0.71 C ATOM 780 CD2 PHE A 47 -1.262 -3.314 1.868 1.00 0.75 C ATOM 781 CE1 PHE A 47 -2.857 -3.777 -0.385 1.00 0.83 C ATOM 782 CE2 PHE A 47 -0.976 -2.666 0.661 1.00 0.87 C ATOM 783 CZ PHE A 47 -1.772 -2.898 -0.465 1.00 0.89 C ATOM 0 H PHE A 47 -2.617 -3.394 5.297 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.541 -3.936 3.123 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -1.802 -4.818 3.927 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -2.784 -5.978 3.055 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -3.986 -5.102 0.886 1.00 0.71 H new ATOM 0 HD2 PHE A 47 -0.644 -3.137 2.736 1.00 0.75 H new ATOM 0 HE1 PHE A 47 -3.471 -3.957 -1.255 1.00 0.83 H new ATOM 0 HE2 PHE A 47 -0.139 -1.986 0.599 1.00 0.87 H new ATOM 0 HZ PHE A 47 -1.549 -2.399 -1.396 1.00 0.89 H new ATOM 793 N ALA A 48 -4.382 -5.432 5.973 1.00 0.42 N ATOM 794 CA ALA A 48 -5.041 -6.448 6.839 1.00 0.40 C ATOM 795 C ALA A 48 -6.536 -6.193 6.835 1.00 0.36 C ATOM 796 O ALA A 48 -7.251 -6.558 7.746 1.00 0.36 O ATOM 797 CB ALA A 48 -4.504 -6.370 8.269 1.00 0.42 C ATOM 0 H ALA A 48 -3.772 -4.775 6.460 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.829 -7.444 6.451 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -4.999 -7.121 8.885 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.430 -6.555 8.265 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.700 -5.379 8.678 1.00 0.42 H new ATOM 803 N ASP A 49 -7.002 -5.560 5.803 1.00 0.34 N ATOM 804 CA ASP A 49 -8.446 -5.251 5.699 1.00 0.32 C ATOM 805 C ASP A 49 -8.754 -4.697 4.306 1.00 0.31 C ATOM 806 O ASP A 49 -9.895 -4.606 3.905 1.00 0.31 O ATOM 807 CB ASP A 49 -8.789 -4.212 6.764 1.00 0.32 C ATOM 808 CG ASP A 49 -8.092 -2.888 6.442 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.396 -2.314 5.413 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.264 -2.471 7.236 1.00 0.36 O ATOM 0 H ASP A 49 -6.436 -5.240 5.017 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.040 -6.152 5.853 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.868 -4.064 6.806 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.477 -4.568 7.746 1.00 0.32 H new ATOM 815 N GLY A 50 -7.742 -4.342 3.563 1.00 0.32 N ATOM 816 CA GLY A 50 -7.970 -3.798 2.187 1.00 0.33 C ATOM 817 C GLY A 50 -9.140 -2.792 2.179 1.00 0.33 C ATOM 818 O GLY A 50 -9.667 -2.451 1.135 1.00 0.34 O ATOM 0 H GLY A 50 -6.764 -4.404 3.847 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.063 -3.310 1.830 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.184 -4.616 1.499 1.00 0.33 H new ATOM 822 N VAL A 51 -9.557 -2.312 3.323 1.00 0.33 N ATOM 823 CA VAL A 51 -10.691 -1.338 3.347 1.00 0.36 C ATOM 824 C VAL A 51 -10.170 0.051 2.972 1.00 0.40 C ATOM 825 O VAL A 51 -10.556 0.629 1.969 1.00 0.42 O ATOM 826 CB VAL A 51 -11.281 -1.288 4.766 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.215 -0.079 4.917 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.074 -2.569 5.049 1.00 0.36 C ATOM 0 H VAL A 51 -9.166 -2.550 4.234 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.458 -1.648 2.637 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.458 -1.199 5.475 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.624 -0.059 5.927 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.655 0.838 4.734 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.030 -0.157 4.197 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.488 -2.525 6.056 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.885 -2.662 4.327 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.413 -3.432 4.966 1.00 0.36 H new ATOM 838 N TYR A 52 -9.280 0.585 3.761 1.00 0.41 N ATOM 839 CA TYR A 52 -8.726 1.923 3.441 1.00 0.47 C ATOM 840 C TYR A 52 -8.069 1.828 2.073 1.00 0.47 C ATOM 841 O TYR A 52 -7.731 2.814 1.445 1.00 0.51 O ATOM 842 CB TYR A 52 -7.685 2.312 4.491 1.00 0.49 C ATOM 843 CG TYR A 52 -8.385 2.675 5.779 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.990 3.930 5.916 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.430 1.757 6.836 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.640 4.268 7.109 1.00 0.60 C ATOM 847 CE2 TYR A 52 -9.080 2.095 8.029 1.00 0.51 C ATOM 848 CZ TYR A 52 -9.685 3.350 8.165 1.00 0.57 C ATOM 849 OH TYR A 52 -10.326 3.683 9.342 1.00 0.60 O ATOM 0 H TYR A 52 -8.915 0.152 4.610 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.512 2.678 3.438 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -6.995 1.485 4.659 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.092 3.155 4.136 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.955 4.638 5.101 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -7.963 0.789 6.731 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -10.106 5.236 7.215 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -9.115 1.388 8.844 1.00 0.51 H new ATOM 0 HH TYR A 52 -10.266 2.934 9.971 1.00 0.60 H new ATOM 859 N LEU A 53 -7.886 0.624 1.616 1.00 0.43 N ATOM 860 CA LEU A 53 -7.240 0.408 0.297 1.00 0.44 C ATOM 861 C LEU A 53 -8.207 0.772 -0.836 1.00 0.45 C ATOM 862 O LEU A 53 -7.924 1.650 -1.635 1.00 0.50 O ATOM 863 CB LEU A 53 -6.820 -1.058 0.201 1.00 0.41 C ATOM 864 CG LEU A 53 -5.995 -1.316 -1.069 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.549 -0.840 -0.881 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.986 -2.817 -1.350 1.00 0.46 C ATOM 0 H LEU A 53 -8.160 -0.228 2.106 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.363 1.048 0.201 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.235 -1.330 1.080 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.706 -1.694 0.198 1.00 0.41 H new ATOM 0 HG LEU A 53 -6.441 -0.769 -1.899 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.982 -1.032 -1.792 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -4.543 0.229 -0.668 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.094 -1.378 -0.050 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -5.403 -3.015 -2.250 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.540 -3.343 -0.506 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -7.008 -3.166 -1.495 1.00 0.46 H new ATOM 878 N VAL A 54 -9.351 0.135 -0.938 1.00 0.43 N ATOM 879 CA VAL A 54 -10.261 0.524 -2.045 1.00 0.46 C ATOM 880 C VAL A 54 -10.562 2.015 -1.916 1.00 0.51 C ATOM 881 O VAL A 54 -10.823 2.697 -2.889 1.00 0.55 O ATOM 882 CB VAL A 54 -11.560 -0.267 -1.968 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.380 -0.032 -3.240 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.247 -1.759 -1.827 1.00 0.41 C ATOM 0 H VAL A 54 -9.679 -0.610 -0.323 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.785 0.312 -3.003 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.133 0.064 -1.102 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.309 -0.599 -3.184 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.608 1.030 -3.335 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -11.807 -0.360 -4.108 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.178 -2.323 -1.772 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -10.671 -2.093 -2.690 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.668 -1.925 -0.918 1.00 0.41 H new ATOM 894 N LEU A 55 -10.512 2.538 -0.721 1.00 0.52 N ATOM 895 CA LEU A 55 -10.780 3.989 -0.558 1.00 0.58 C ATOM 896 C LEU A 55 -9.787 4.752 -1.441 1.00 0.62 C ATOM 897 O LEU A 55 -10.179 5.488 -2.314 1.00 0.66 O ATOM 898 CB LEU A 55 -10.607 4.388 0.926 1.00 0.59 C ATOM 899 CG LEU A 55 -11.984 4.513 1.615 1.00 0.60 C ATOM 900 CD1 LEU A 55 -11.830 4.346 3.133 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.586 5.893 1.310 1.00 0.67 C ATOM 0 H LEU A 55 -10.300 2.029 0.137 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.801 4.229 -0.855 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.002 3.642 1.441 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.072 5.335 0.994 1.00 0.59 H new ATOM 0 HG LEU A 55 -12.644 3.733 1.236 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.806 4.436 3.610 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.409 3.364 3.350 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.165 5.119 3.519 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.558 5.982 1.796 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.921 6.671 1.684 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.707 6.007 0.233 1.00 0.67 H new ATOM 913 N LEU A 56 -8.505 4.574 -1.232 1.00 0.62 N ATOM 914 CA LEU A 56 -7.510 5.302 -2.080 1.00 0.66 C ATOM 915 C LEU A 56 -7.912 5.172 -3.558 1.00 0.67 C ATOM 916 O LEU A 56 -7.885 6.133 -4.305 1.00 0.72 O ATOM 917 CB LEU A 56 -6.081 4.755 -1.798 1.00 0.65 C ATOM 918 CG LEU A 56 -5.661 3.651 -2.798 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.267 4.264 -4.171 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.468 2.871 -2.215 1.00 0.66 C ATOM 0 H LEU A 56 -8.108 3.963 -0.519 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.501 6.364 -1.834 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.365 5.576 -1.846 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.041 4.357 -0.784 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.505 2.980 -2.956 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.976 3.467 -4.855 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -6.118 4.805 -4.585 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.431 4.950 -4.037 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.166 2.091 -2.914 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.634 3.553 -2.050 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.758 2.416 -1.268 1.00 0.66 H new ATOM 932 N MET A 57 -8.308 4.003 -3.977 1.00 0.62 N ATOM 933 CA MET A 57 -8.727 3.829 -5.402 1.00 0.63 C ATOM 934 C MET A 57 -9.924 4.737 -5.695 1.00 0.68 C ATOM 935 O MET A 57 -10.192 5.090 -6.827 1.00 0.72 O ATOM 936 CB MET A 57 -9.119 2.369 -5.650 1.00 0.58 C ATOM 937 CG MET A 57 -7.862 1.495 -5.703 1.00 0.55 C ATOM 938 SD MET A 57 -7.108 1.628 -7.346 1.00 0.60 S ATOM 939 CE MET A 57 -6.597 -0.100 -7.519 1.00 0.57 C ATOM 0 H MET A 57 -8.361 3.163 -3.401 1.00 0.62 H new ATOM 0 HA MET A 57 -7.898 4.095 -6.058 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.781 2.021 -4.857 1.00 0.58 H new ATOM 0 HB3 MET A 57 -9.671 2.285 -6.586 1.00 0.58 H new ATOM 0 HG2 MET A 57 -7.153 1.811 -4.938 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.118 0.457 -5.491 1.00 0.55 H new ATOM 0 HE1 MET A 57 -5.645 -0.147 -8.049 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.485 -0.547 -6.531 1.00 0.57 H new ATOM 0 HE3 MET A 57 -7.353 -0.648 -8.082 1.00 0.57 H new ATOM 949 N GLY A 58 -10.650 5.116 -4.681 1.00 0.67 N ATOM 950 CA GLY A 58 -11.834 5.998 -4.894 1.00 0.73 C ATOM 951 C GLY A 58 -11.394 7.453 -5.041 1.00 0.79 C ATOM 952 O GLY A 58 -11.693 8.100 -6.024 1.00 0.84 O ATOM 0 H GLY A 58 -10.475 4.853 -3.711 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.374 5.683 -5.787 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.522 5.903 -4.054 1.00 0.73 H new ATOM 956 N LEU A 59 -10.679 7.975 -4.087 1.00 0.79 N ATOM 957 CA LEU A 59 -10.224 9.387 -4.206 1.00 0.86 C ATOM 958 C LEU A 59 -9.442 9.509 -5.511 1.00 0.88 C ATOM 959 O LEU A 59 -9.268 10.586 -6.048 1.00 0.94 O ATOM 960 CB LEU A 59 -9.355 9.779 -2.988 1.00 0.86 C ATOM 961 CG LEU A 59 -10.134 9.660 -1.631 1.00 0.82 C ATOM 962 CD1 LEU A 59 -11.650 9.851 -1.800 1.00 0.82 C ATOM 963 CD2 LEU A 59 -9.906 8.297 -0.985 1.00 0.87 C ATOM 0 H LEU A 59 -10.391 7.491 -3.237 1.00 0.79 H new ATOM 0 HA LEU A 59 -11.075 10.068 -4.220 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.473 9.140 -2.954 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.002 10.803 -3.112 1.00 0.86 H new ATOM 0 HG LEU A 59 -9.743 10.457 -0.998 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -12.139 9.758 -0.830 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -11.848 10.840 -2.213 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -12.039 9.090 -2.477 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -10.457 8.242 -0.046 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -10.255 7.513 -1.657 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -8.842 8.160 -0.789 1.00 0.87 H new ATOM 975 N LEU A 60 -9.014 8.400 -6.053 1.00 0.84 N ATOM 976 CA LEU A 60 -8.294 8.439 -7.357 1.00 0.87 C ATOM 977 C LEU A 60 -9.347 8.692 -8.435 1.00 0.91 C ATOM 978 O LEU A 60 -9.231 9.597 -9.238 1.00 0.96 O ATOM 979 CB LEU A 60 -7.579 7.089 -7.583 1.00 0.82 C ATOM 980 CG LEU A 60 -7.088 6.908 -9.044 1.00 0.87 C ATOM 981 CD1 LEU A 60 -8.252 6.580 -10.009 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.346 8.167 -9.521 1.00 0.91 C ATOM 0 H LEU A 60 -9.132 7.471 -5.649 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.537 9.223 -7.382 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.728 7.016 -6.906 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.259 6.276 -7.329 1.00 0.82 H new ATOM 0 HG LEU A 60 -6.402 6.061 -9.053 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -7.864 6.461 -11.021 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -8.735 5.655 -9.695 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -8.978 7.392 -9.992 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -6.008 8.023 -10.547 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -7.018 9.024 -9.477 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -5.485 8.347 -8.878 1.00 0.91 H new ATOM 994 N GLU A 61 -10.392 7.911 -8.443 1.00 0.87 N ATOM 995 CA GLU A 61 -11.463 8.117 -9.455 1.00 0.91 C ATOM 996 C GLU A 61 -11.931 9.573 -9.399 1.00 0.96 C ATOM 997 O GLU A 61 -12.378 10.128 -10.383 1.00 1.00 O ATOM 998 CB GLU A 61 -12.640 7.187 -9.153 1.00 0.86 C ATOM 999 CG GLU A 61 -12.279 5.757 -9.561 1.00 0.82 C ATOM 1000 CD GLU A 61 -13.421 4.812 -9.183 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -14.557 5.136 -9.486 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -13.140 3.779 -8.598 1.00 0.74 O ATOM 0 H GLU A 61 -10.549 7.141 -7.793 1.00 0.87 H new ATOM 0 HA GLU A 61 -11.077 7.894 -10.449 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.882 7.223 -8.091 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -13.527 7.518 -9.694 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -12.095 5.710 -10.634 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.359 5.448 -9.066 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.829 10.201 -8.254 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.266 11.625 -8.136 1.00 1.01 C ATOM 1011 C GLY A 62 -13.732 11.679 -7.709 1.00 1.00 C ATOM 1012 O GLY A 62 -14.493 12.512 -8.161 1.00 1.03 O ATOM 0 H GLY A 62 -11.462 9.789 -7.396 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.645 12.147 -7.408 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.136 12.136 -9.090 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.062 -6.918 6.659 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.564 -8.296 6.850 1.00 0.35 C ATOM 1209 C PRO A 74 -13.808 -8.733 8.296 1.00 0.35 C ATOM 1210 O PRO A 74 -13.836 -7.923 9.201 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.052 -8.229 6.529 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.699 -6.737 6.267 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.017 -5.933 6.294 1.00 0.47 C ATOM 0 HA PRO A 74 -14.069 -9.021 6.211 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.465 -8.622 7.359 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.817 -8.838 5.656 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.010 -6.368 7.026 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.202 -6.625 5.304 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -12.969 -5.122 7.020 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.223 -5.481 5.324 1.00 0.47 H new ATOM 1221 N ASP A 75 -13.982 -10.012 8.511 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.226 -10.534 9.889 1.00 0.38 C ATOM 1223 C ASP A 75 -13.067 -11.453 10.270 1.00 0.36 C ATOM 1224 O ASP A 75 -12.639 -11.491 11.407 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.555 -11.323 9.887 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.433 -10.910 11.078 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -15.966 -11.022 12.199 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -17.553 -10.488 10.844 1.00 0.82 O ATOM 0 H ASP A 75 -13.965 -10.725 7.782 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.293 -9.719 10.610 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.090 -11.142 8.955 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.349 -12.392 9.934 1.00 0.46 H new ATOM 1233 N SER A 76 -12.564 -12.199 9.319 1.00 0.38 N ATOM 1234 CA SER A 76 -11.433 -13.136 9.602 1.00 0.41 C ATOM 1235 C SER A 76 -10.317 -12.941 8.580 1.00 0.39 C ATOM 1236 O SER A 76 -10.315 -12.011 7.802 1.00 0.37 O ATOM 1237 CB SER A 76 -11.933 -14.576 9.540 1.00 0.51 C ATOM 1238 OG SER A 76 -12.738 -14.751 8.385 1.00 0.54 O ATOM 0 H SER A 76 -12.890 -12.199 8.353 1.00 0.38 H new ATOM 0 HA SER A 76 -11.043 -12.926 10.598 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.088 -15.264 9.514 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.508 -14.811 10.436 1.00 0.51 H new ATOM 0 HG SER A 76 -13.234 -15.593 8.457 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.356 -13.814 8.610 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.195 -13.715 7.684 1.00 0.44 C ATOM 1246 C PHE A 77 -8.629 -13.884 6.253 1.00 0.48 C ATOM 1247 O PHE A 77 -8.426 -13.028 5.441 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.209 -14.830 8.037 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.041 -14.872 7.063 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.279 -13.720 6.808 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.703 -16.081 6.434 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.185 -13.780 5.925 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.617 -16.136 5.553 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.859 -14.989 5.300 1.00 0.90 C ATOM 0 H PHE A 77 -9.323 -14.608 9.249 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.736 -12.732 7.790 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.834 -14.679 9.049 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.726 -15.790 8.029 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.533 -12.787 7.290 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.283 -16.971 6.631 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.598 -12.895 5.730 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.364 -17.067 5.067 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.020 -15.036 4.621 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.214 -14.979 5.943 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.655 -15.219 4.539 1.00 0.56 C ATOM 1266 C GLU A 78 -10.387 -13.983 4.012 1.00 0.53 C ATOM 1267 O GLU A 78 -10.210 -13.584 2.881 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.580 -16.459 4.517 1.00 0.63 C ATOM 1269 CG GLU A 78 -10.038 -17.521 3.552 1.00 1.05 C ATOM 1270 CD GLU A 78 -11.079 -18.628 3.379 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -12.103 -18.558 4.037 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -10.834 -19.527 2.591 1.00 1.04 O ATOM 0 H GLU A 78 -9.415 -15.736 6.596 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.794 -15.403 3.896 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.659 -16.878 5.520 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.585 -16.164 4.215 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.808 -17.068 2.587 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -9.108 -17.938 3.938 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.198 -13.376 4.819 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.935 -12.187 4.375 1.00 0.45 C ATOM 1281 C GLN A 79 -10.960 -11.059 4.053 1.00 0.40 C ATOM 1282 O GLN A 79 -11.174 -10.287 3.139 1.00 0.41 O ATOM 1283 CB GLN A 79 -12.869 -11.811 5.510 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.694 -13.044 5.877 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.786 -12.660 6.875 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.342 -11.583 6.797 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.122 -13.502 7.814 1.00 0.45 N ATOM 0 H GLN A 79 -11.380 -13.662 5.781 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.505 -12.379 3.466 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.299 -11.464 6.372 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.522 -10.992 5.209 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.143 -13.472 4.981 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.048 -13.810 6.307 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -14.655 -14.406 7.879 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -15.852 -13.256 8.483 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.878 -10.969 4.767 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.889 -9.905 4.460 1.00 0.38 C ATOM 1298 C LYS A 80 -8.121 -10.323 3.205 1.00 0.39 C ATOM 1299 O LYS A 80 -7.992 -9.571 2.260 1.00 0.40 O ATOM 1300 CB LYS A 80 -7.921 -9.750 5.634 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.693 -9.310 6.878 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.791 -9.421 8.108 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.511 -8.831 9.322 1.00 0.51 C ATOM 1304 NZ LYS A 80 -9.777 -9.580 9.558 1.00 1.03 N ATOM 0 H LYS A 80 -9.636 -11.582 5.546 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.392 -8.952 4.295 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.410 -10.694 5.825 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.153 -9.016 5.391 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.038 -8.283 6.759 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.579 -9.932 7.007 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.538 -10.465 8.294 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -6.854 -8.892 7.934 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -7.871 -8.890 10.202 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -8.726 -7.776 9.154 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -10.589 -8.967 9.341 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -9.803 -10.419 8.944 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.824 -9.878 10.553 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.623 -11.531 3.192 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.877 -12.030 2.007 1.00 0.47 C ATOM 1320 C VAL A 81 -7.714 -11.793 0.760 1.00 0.45 C ATOM 1321 O VAL A 81 -7.196 -11.677 -0.324 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.622 -13.529 2.157 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.764 -14.018 0.990 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.889 -13.798 3.472 1.00 0.56 C ATOM 0 H VAL A 81 -7.704 -12.197 3.960 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.926 -11.504 1.926 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.575 -14.058 2.159 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.581 -15.087 1.096 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.285 -13.830 0.051 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.813 -13.486 0.990 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.709 -14.868 3.576 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.937 -13.268 3.473 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.498 -13.450 4.306 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.009 -11.731 0.903 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.876 -11.508 -0.290 1.00 0.44 C ATOM 1336 C LEU A 82 -9.930 -10.027 -0.612 1.00 0.38 C ATOM 1337 O LEU A 82 -9.847 -9.632 -1.750 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.289 -12.040 -0.010 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.066 -12.218 -1.332 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.730 -13.572 -1.972 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.574 -12.159 -1.057 1.00 0.54 C ATOM 0 H LEU A 82 -9.504 -11.825 1.790 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.460 -12.042 -1.145 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.229 -12.993 0.515 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.822 -11.349 0.643 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.779 -11.417 -2.013 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.286 -13.682 -2.903 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.661 -13.621 -2.179 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.004 -14.376 -1.288 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.120 -12.285 -1.992 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.849 -12.956 -0.366 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.826 -11.194 -0.617 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.063 -9.201 0.368 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.104 -7.754 0.090 1.00 0.32 C ATOM 1355 C ASN A 83 -8.810 -7.359 -0.634 1.00 0.31 C ATOM 1356 O ASN A 83 -8.790 -6.463 -1.463 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.229 -6.996 1.431 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.168 -5.803 1.267 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -10.858 -4.699 1.664 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.316 -5.998 0.690 1.00 0.36 N ATOM 0 H ASN A 83 -10.145 -9.463 1.350 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.957 -7.502 -0.541 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.608 -7.665 2.203 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.247 -6.655 1.759 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -12.964 -5.220 0.568 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.569 -6.929 0.359 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.726 -8.033 -0.338 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.437 -7.684 -1.016 1.00 0.37 C ATOM 1369 C VAL A 84 -6.331 -8.423 -2.331 1.00 0.39 C ATOM 1370 O VAL A 84 -5.874 -7.888 -3.303 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.230 -8.029 -0.133 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.964 -7.445 -0.771 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.436 -7.421 1.260 1.00 0.40 C ATOM 0 H VAL A 84 -7.676 -8.799 0.334 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.432 -6.609 -1.196 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.127 -9.110 -0.043 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.100 -7.685 -0.151 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.827 -7.872 -1.765 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.063 -6.363 -0.852 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.582 -7.663 1.892 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.529 -6.338 1.174 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.344 -7.829 1.705 1.00 0.40 H new ATOM 1383 N SER A 85 -6.757 -9.641 -2.379 1.00 0.41 N ATOM 1384 CA SER A 85 -6.680 -10.383 -3.658 1.00 0.46 C ATOM 1385 C SER A 85 -7.503 -9.620 -4.690 1.00 0.42 C ATOM 1386 O SER A 85 -7.266 -9.674 -5.875 1.00 0.45 O ATOM 1387 CB SER A 85 -7.258 -11.787 -3.473 1.00 0.50 C ATOM 1388 OG SER A 85 -8.673 -11.704 -3.367 1.00 0.53 O ATOM 0 H SER A 85 -7.154 -10.157 -1.594 1.00 0.41 H new ATOM 0 HA SER A 85 -5.645 -10.472 -3.987 1.00 0.46 H new ATOM 0 HB2 SER A 85 -6.982 -12.420 -4.316 1.00 0.50 H new ATOM 0 HB3 SER A 85 -6.842 -12.249 -2.578 1.00 0.50 H new ATOM 0 HG SER A 85 -8.915 -10.925 -2.824 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.478 -8.912 -4.223 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.367 -8.143 -5.130 1.00 0.36 C ATOM 1396 C PHE A 86 -8.663 -6.885 -5.632 1.00 0.34 C ATOM 1397 O PHE A 86 -8.503 -6.674 -6.811 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.621 -7.758 -4.341 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.413 -6.667 -5.037 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.445 -6.585 -6.436 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.131 -5.742 -4.268 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.194 -5.580 -7.060 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.876 -4.736 -4.894 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.908 -4.656 -6.290 1.00 0.32 C ATOM 0 H PHE A 86 -8.705 -8.829 -3.232 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.629 -8.749 -5.997 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.252 -8.637 -4.210 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.334 -7.420 -3.345 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.892 -7.296 -7.032 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.110 -5.805 -3.190 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.220 -5.518 -8.138 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.426 -4.022 -4.299 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.484 -3.881 -6.773 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.242 -6.040 -4.754 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.553 -4.809 -5.225 1.00 0.33 C ATOM 1416 C ALA A 87 -6.341 -5.248 -6.038 1.00 0.38 C ATOM 1417 O ALA A 87 -5.885 -4.575 -6.940 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.104 -3.981 -4.026 1.00 0.35 C ATOM 0 H ALA A 87 -8.339 -6.137 -3.743 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.221 -4.198 -5.832 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.600 -3.080 -4.375 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.973 -3.703 -3.430 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.418 -4.568 -3.415 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.849 -6.405 -5.721 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.693 -6.978 -6.426 1.00 0.48 C ATOM 1426 C PHE A 88 -5.187 -7.485 -7.762 1.00 0.48 C ATOM 1427 O PHE A 88 -4.432 -7.675 -8.685 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.165 -8.126 -5.569 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.131 -8.940 -6.307 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.529 -9.827 -7.311 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.777 -8.829 -5.967 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.575 -10.603 -7.978 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.823 -9.601 -6.634 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.221 -10.490 -7.639 1.00 0.74 C ATOM 0 H PHE A 88 -6.219 -6.993 -4.974 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.896 -6.253 -6.589 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.729 -7.727 -4.653 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.993 -8.770 -5.273 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.573 -9.913 -7.572 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.470 -8.146 -5.189 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.883 -11.289 -8.754 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.222 -9.512 -6.374 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.484 -11.089 -8.153 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.467 -7.724 -7.865 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.019 -8.224 -9.154 1.00 0.46 C ATOM 1446 C GLU A 89 -7.212 -7.030 -10.090 1.00 0.43 C ATOM 1447 O GLU A 89 -6.845 -7.073 -11.250 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.356 -8.944 -8.886 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.100 -10.433 -8.647 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.873 -11.140 -9.986 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -7.841 -10.457 -10.996 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -7.734 -12.352 -9.977 1.00 0.63 O ATOM 0 H GLU A 89 -7.149 -7.595 -7.117 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.338 -8.935 -9.622 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.849 -8.506 -8.018 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.028 -8.812 -9.734 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.230 -10.563 -8.004 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.949 -10.879 -8.129 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.750 -5.950 -9.592 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.926 -4.756 -10.457 1.00 0.37 C ATOM 1461 C LEU A 90 -6.549 -4.163 -10.723 1.00 0.41 C ATOM 1462 O LEU A 90 -6.356 -3.405 -11.652 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.800 -3.711 -9.749 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.282 -4.105 -9.829 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.081 -3.223 -8.862 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.822 -3.917 -11.264 1.00 0.36 C ATOM 0 H LEU A 90 -8.072 -5.846 -8.630 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.413 -5.041 -11.390 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -8.497 -3.622 -8.706 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.652 -2.734 -10.208 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.386 -5.156 -9.558 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.136 -3.494 -8.910 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -10.714 -3.371 -7.846 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.962 -2.176 -9.141 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.874 -4.202 -11.297 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.720 -2.872 -11.557 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.254 -4.544 -11.951 1.00 0.36 H new ATOM 1478 N MET A 91 -5.575 -4.520 -9.925 1.00 0.43 N ATOM 1479 CA MET A 91 -4.203 -3.977 -10.159 1.00 0.49 C ATOM 1480 C MET A 91 -3.523 -4.859 -11.189 1.00 0.54 C ATOM 1481 O MET A 91 -2.972 -4.389 -12.165 1.00 0.58 O ATOM 1482 CB MET A 91 -3.400 -3.978 -8.859 1.00 0.52 C ATOM 1483 CG MET A 91 -3.853 -2.818 -7.967 1.00 0.48 C ATOM 1484 SD MET A 91 -3.352 -3.145 -6.257 1.00 0.55 S ATOM 1485 CE MET A 91 -3.859 -1.558 -5.545 1.00 0.60 C ATOM 0 H MET A 91 -5.668 -5.155 -9.132 1.00 0.43 H new ATOM 0 HA MET A 91 -4.263 -2.949 -10.516 1.00 0.49 H new ATOM 0 HB2 MET A 91 -3.537 -4.925 -8.337 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.336 -3.886 -9.078 1.00 0.52 H new ATOM 0 HG2 MET A 91 -3.412 -1.884 -8.315 1.00 0.48 H new ATOM 0 HG3 MET A 91 -4.935 -2.701 -8.025 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.213 -1.315 -4.702 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.778 -0.777 -6.301 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.892 -1.626 -5.203 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.588 -6.144 -10.997 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.978 -7.071 -11.984 1.00 0.62 C ATOM 1497 C GLN A 92 -3.503 -6.680 -13.362 1.00 0.61 C ATOM 1498 O GLN A 92 -2.831 -6.820 -14.364 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.386 -8.514 -11.654 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.003 -9.454 -12.804 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.535 -9.243 -13.181 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -0.654 -9.429 -12.365 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -1.233 -8.860 -14.391 1.00 0.67 N ATOM 0 H GLN A 92 -4.038 -6.592 -10.199 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.890 -7.008 -11.959 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -2.897 -8.836 -10.735 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.461 -8.564 -11.478 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -3.166 -10.490 -12.508 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.640 -9.265 -13.668 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -1.972 -8.704 -15.076 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -0.257 -8.717 -14.652 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.706 -6.165 -13.406 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.293 -5.733 -14.705 1.00 0.54 C ATOM 1514 C ASP A 93 -4.957 -4.262 -14.921 1.00 0.55 C ATOM 1515 O ASP A 93 -4.387 -3.875 -15.921 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.821 -5.925 -14.650 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.358 -6.329 -16.029 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.446 -5.464 -16.885 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -7.670 -7.496 -16.203 1.00 0.80 O ATOM 0 H ASP A 93 -5.307 -6.026 -12.594 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.888 -6.324 -15.527 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.072 -6.691 -13.916 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.299 -5.002 -14.323 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.313 -3.444 -13.977 1.00 0.54 N ATOM 1525 CA GLY A 94 -5.026 -1.992 -14.099 1.00 0.61 C ATOM 1526 C GLY A 94 -3.518 -1.772 -14.228 1.00 0.73 C ATOM 1527 O GLY A 94 -3.058 -0.651 -14.320 1.00 0.82 O ATOM 0 H GLY A 94 -5.793 -3.720 -13.121 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.538 -1.582 -14.969 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.407 -1.462 -13.226 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.737 -2.831 -14.242 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.250 -2.667 -14.374 1.00 0.94 C ATOM 1533 C GLY A 95 -0.520 -3.616 -13.417 1.00 0.92 C ATOM 1534 O GLY A 95 -0.719 -4.813 -13.445 1.00 0.91 O ATOM 0 H GLY A 95 -3.062 -3.795 -14.168 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.945 -2.870 -15.401 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.971 -1.636 -14.157 1.00 0.94 H new ATOM 1538 N LEU A 96 0.337 -3.080 -12.580 1.00 0.92 N ATOM 1539 CA LEU A 96 1.108 -3.926 -11.618 1.00 0.91 C ATOM 1540 C LEU A 96 2.155 -4.756 -12.375 1.00 0.94 C ATOM 1541 O LEU A 96 3.180 -5.121 -11.836 1.00 0.95 O ATOM 1542 CB LEU A 96 0.135 -4.844 -10.874 1.00 0.89 C ATOM 1543 CG LEU A 96 0.678 -5.203 -9.478 1.00 0.87 C ATOM 1544 CD1 LEU A 96 0.692 -3.962 -8.556 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.215 -6.293 -8.869 1.00 0.86 C ATOM 0 H LEU A 96 0.536 -2.081 -12.523 1.00 0.92 H new ATOM 0 HA LEU A 96 1.627 -3.291 -10.900 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.833 -4.353 -10.777 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.026 -5.754 -11.451 1.00 0.89 H new ATOM 0 HG LEU A 96 1.702 -5.564 -9.574 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.079 -4.241 -7.576 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.328 -3.192 -8.992 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -0.322 -3.577 -8.449 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.158 -6.558 -7.879 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.236 -5.922 -8.785 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.201 -7.175 -9.510 1.00 0.86 H new ATOM 1557 N GLU A 97 1.888 -5.043 -13.616 1.00 0.96 N ATOM 1558 CA GLU A 97 2.835 -5.837 -14.462 1.00 1.00 C ATOM 1559 C GLU A 97 3.036 -7.247 -13.894 1.00 0.99 C ATOM 1560 O GLU A 97 2.184 -8.102 -14.036 1.00 0.99 O ATOM 1561 CB GLU A 97 4.187 -5.119 -14.563 1.00 1.05 C ATOM 1562 CG GLU A 97 3.973 -3.709 -15.115 1.00 1.13 C ATOM 1563 CD GLU A 97 5.281 -2.921 -15.025 1.00 1.25 C ATOM 1564 OE1 GLU A 97 6.329 -3.545 -15.055 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.213 -1.707 -14.927 1.00 1.37 O ATOM 0 H GLU A 97 1.035 -4.756 -14.095 1.00 0.96 H new ATOM 0 HA GLU A 97 2.400 -5.927 -15.457 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.659 -5.070 -13.582 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.860 -5.678 -15.213 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.637 -3.760 -16.151 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.191 -3.201 -14.551 1.00 1.13 H new ATOM 1572 N LYS A 98 4.171 -7.508 -13.287 1.00 1.02 N ATOM 1573 CA LYS A 98 4.454 -8.878 -12.740 1.00 1.01 C ATOM 1574 C LYS A 98 4.461 -8.862 -11.193 1.00 1.00 C ATOM 1575 O LYS A 98 5.452 -8.474 -10.607 1.00 1.04 O ATOM 1576 CB LYS A 98 5.842 -9.310 -13.221 1.00 1.08 C ATOM 1577 CG LYS A 98 5.893 -9.262 -14.750 1.00 1.09 C ATOM 1578 CD LYS A 98 7.219 -9.850 -15.236 1.00 1.13 C ATOM 1579 CE LYS A 98 7.239 -9.871 -16.765 1.00 1.16 C ATOM 1580 NZ LYS A 98 6.336 -10.949 -17.258 1.00 1.18 N ATOM 0 H LYS A 98 4.918 -6.828 -13.146 1.00 1.02 H new ATOM 0 HA LYS A 98 3.680 -9.564 -13.085 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.604 -8.654 -12.801 1.00 1.08 H new ATOM 0 HB3 LYS A 98 6.062 -10.319 -12.871 1.00 1.08 H new ATOM 0 HG2 LYS A 98 5.059 -9.824 -15.170 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.791 -8.233 -15.096 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.052 -9.256 -14.859 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.345 -10.860 -14.846 1.00 1.13 H new ATOM 0 HE2 LYS A 98 6.919 -8.906 -17.157 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.254 -10.040 -17.124 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 6.535 -11.136 -18.261 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 6.496 -11.816 -16.706 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 5.346 -10.648 -17.151 1.00 1.18 H new ATOM 1594 N PRO A 99 3.379 -9.289 -10.556 1.00 0.93 N ATOM 1595 CA PRO A 99 3.321 -9.317 -9.079 1.00 0.91 C ATOM 1596 C PRO A 99 4.291 -10.382 -8.552 1.00 0.98 C ATOM 1597 O PRO A 99 4.767 -11.213 -9.300 1.00 1.02 O ATOM 1598 CB PRO A 99 1.858 -9.674 -8.740 1.00 0.84 C ATOM 1599 CG PRO A 99 1.130 -9.975 -10.083 1.00 0.82 C ATOM 1600 CD PRO A 99 2.147 -9.760 -11.225 1.00 0.88 C ATOM 0 HA PRO A 99 3.610 -8.370 -8.624 1.00 0.91 H new ATOM 0 HB2 PRO A 99 1.817 -10.540 -8.079 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.373 -8.850 -8.217 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.754 -10.998 -10.093 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.270 -9.317 -10.208 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.325 -10.684 -11.774 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.783 -9.026 -11.945 1.00 0.88 H new ATOM 1608 N LYS A 100 4.608 -10.352 -7.276 1.00 0.98 N ATOM 1609 CA LYS A 100 5.567 -11.354 -6.716 1.00 1.05 C ATOM 1610 C LYS A 100 5.089 -11.915 -5.345 1.00 1.02 C ATOM 1611 O LYS A 100 4.976 -13.119 -5.223 1.00 1.04 O ATOM 1612 CB LYS A 100 6.962 -10.686 -6.620 1.00 1.11 C ATOM 1613 CG LYS A 100 7.940 -11.276 -7.670 1.00 1.18 C ATOM 1614 CD LYS A 100 9.021 -10.249 -8.031 1.00 1.25 C ATOM 1615 CE LYS A 100 9.673 -9.709 -6.760 1.00 1.22 C ATOM 1616 NZ LYS A 100 9.861 -10.820 -5.785 1.00 1.30 N ATOM 0 H LYS A 100 4.244 -9.678 -6.603 1.00 0.98 H new ATOM 0 HA LYS A 100 5.623 -12.218 -7.379 1.00 1.05 H new ATOM 0 HB2 LYS A 100 6.865 -9.611 -6.773 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.369 -10.830 -5.619 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.405 -12.180 -7.276 1.00 1.18 H new ATOM 0 HG3 LYS A 100 7.391 -11.565 -8.566 1.00 1.18 H new ATOM 0 HD2 LYS A 100 9.775 -10.711 -8.668 1.00 1.25 H new ATOM 0 HD3 LYS A 100 8.581 -9.430 -8.600 1.00 1.25 H new ATOM 0 HE2 LYS A 100 10.634 -9.253 -6.997 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.050 -8.929 -6.322 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.534 -10.526 -5.049 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 8.948 -11.055 -5.346 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.233 -11.656 -6.279 1.00 1.30 H new ATOM 1630 N PRO A 101 4.818 -11.088 -4.340 1.00 0.97 N ATOM 1631 CA PRO A 101 4.367 -11.623 -3.040 1.00 0.95 C ATOM 1632 C PRO A 101 2.905 -12.064 -3.191 1.00 0.89 C ATOM 1633 O PRO A 101 2.381 -12.068 -4.288 1.00 0.89 O ATOM 1634 CB PRO A 101 4.554 -10.453 -2.061 1.00 0.92 C ATOM 1635 CG PRO A 101 4.685 -9.172 -2.906 1.00 0.92 C ATOM 1636 CD PRO A 101 4.918 -9.610 -4.379 1.00 0.95 C ATOM 0 HA PRO A 101 4.915 -12.495 -2.683 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.705 -10.381 -1.381 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.443 -10.602 -1.448 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.784 -8.564 -2.824 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.515 -8.561 -2.551 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.172 -9.178 -5.046 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.894 -9.286 -4.741 1.00 0.95 H new ATOM 1644 N ARG A 102 2.250 -12.470 -2.129 1.00 0.84 N ATOM 1645 CA ARG A 102 0.832 -12.954 -2.247 1.00 0.79 C ATOM 1646 C ARG A 102 -0.116 -12.067 -1.410 1.00 0.71 C ATOM 1647 O ARG A 102 0.291 -11.568 -0.382 1.00 0.71 O ATOM 1648 CB ARG A 102 0.779 -14.387 -1.706 1.00 0.83 C ATOM 1649 CG ARG A 102 1.868 -15.225 -2.385 1.00 0.92 C ATOM 1650 CD ARG A 102 1.570 -16.717 -2.209 1.00 0.96 C ATOM 1651 NE ARG A 102 1.090 -16.987 -0.812 1.00 1.05 N ATOM 1652 CZ ARG A 102 1.797 -16.647 0.234 1.00 1.11 C ATOM 1653 NH1 ARG A 102 3.019 -16.212 0.095 1.00 1.09 N ATOM 1654 NH2 ARG A 102 1.294 -16.793 1.429 1.00 1.18 N ATOM 0 H ARG A 102 2.634 -12.488 -1.184 1.00 0.84 H new ATOM 0 HA ARG A 102 0.516 -12.913 -3.289 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.925 -14.386 -0.626 1.00 0.83 H new ATOM 0 HB3 ARG A 102 -0.202 -14.823 -1.894 1.00 0.83 H new ATOM 0 HG2 ARG A 102 1.919 -14.979 -3.446 1.00 0.92 H new ATOM 0 HG3 ARG A 102 2.841 -14.987 -1.956 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.814 -17.032 -2.929 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.467 -17.301 -2.413 1.00 0.96 H new ATOM 0 HE ARG A 102 0.190 -17.447 -0.676 1.00 1.05 H new ATOM 0 HH11 ARG A 102 3.430 -16.135 -0.835 1.00 1.09 H new ATOM 0 HH12 ARG A 102 3.563 -15.949 0.917 1.00 1.09 H new ATOM 0 HH21 ARG A 102 0.354 -17.171 1.544 1.00 1.18 H new ATOM 0 HH22 ARG A 102 1.841 -16.529 2.248 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.367 -11.921 -1.843 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.367 -11.124 -1.099 1.00 0.59 C ATOM 1670 C PRO A 103 -2.247 -11.423 0.395 1.00 0.59 C ATOM 1671 O PRO A 103 -2.570 -10.609 1.237 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.718 -11.585 -1.674 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.407 -12.253 -3.038 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.889 -12.531 -3.079 1.00 0.67 C ATOM 0 HA PRO A 103 -2.238 -10.047 -1.204 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.208 -12.288 -1.000 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.395 -10.740 -1.800 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.970 -13.180 -3.149 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.700 -11.601 -3.861 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.682 -13.601 -3.111 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.429 -12.091 -3.964 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.754 -12.584 0.720 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.572 -12.945 2.146 1.00 0.65 C ATOM 1684 C GLU A 104 -0.354 -12.191 2.658 1.00 0.67 C ATOM 1685 O GLU A 104 -0.428 -11.429 3.596 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.324 -14.452 2.266 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.550 -15.220 1.770 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.339 -16.719 1.995 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.229 -17.097 2.334 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -3.290 -17.464 1.824 1.00 0.81 O ATOM 0 H GLU A 104 -1.468 -13.301 0.053 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.459 -12.687 2.724 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.447 -14.733 1.683 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.115 -14.714 3.303 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.442 -14.884 2.300 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.714 -15.020 0.711 1.00 0.71 H new ATOM 1697 N ASP A 105 0.757 -12.392 2.004 1.00 0.73 N ATOM 1698 CA ASP A 105 2.027 -11.712 2.379 1.00 0.78 C ATOM 1699 C ASP A 105 1.739 -10.254 2.738 1.00 0.73 C ATOM 1700 O ASP A 105 2.440 -9.640 3.517 1.00 0.77 O ATOM 1701 CB ASP A 105 2.959 -11.780 1.163 1.00 0.83 C ATOM 1702 CG ASP A 105 2.974 -13.212 0.625 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.337 -14.058 1.230 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.627 -13.438 -0.380 1.00 0.86 O ATOM 0 H ASP A 105 0.838 -13.018 1.202 1.00 0.73 H new ATOM 0 HA ASP A 105 2.489 -12.194 3.241 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.619 -11.091 0.390 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.967 -11.473 1.443 1.00 0.83 H new ATOM 1709 N ILE A 106 0.690 -9.711 2.192 1.00 0.67 N ATOM 1710 CA ILE A 106 0.316 -8.301 2.513 1.00 0.64 C ATOM 1711 C ILE A 106 -0.536 -8.330 3.791 1.00 0.59 C ATOM 1712 O ILE A 106 -0.105 -7.912 4.847 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.489 -7.681 1.343 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.169 -8.399 0.018 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.164 -6.188 1.203 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.323 -8.281 -0.329 1.00 0.72 C ATOM 0 H ILE A 106 0.070 -10.183 1.533 1.00 0.67 H new ATOM 0 HA ILE A 106 1.208 -7.692 2.662 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.549 -7.802 1.565 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.446 -9.451 0.095 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.767 -7.970 -0.786 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.737 -5.767 0.377 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.424 -5.671 2.126 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.901 -6.064 1.006 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.520 -8.797 -1.269 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.591 -7.229 -0.429 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.918 -8.733 0.465 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.739 -8.856 3.697 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.628 -8.960 4.900 1.00 0.51 C ATOM 1730 C VAL A 107 -1.793 -9.469 6.078 1.00 0.53 C ATOM 1731 O VAL A 107 -2.086 -9.210 7.228 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.724 -10.004 4.591 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.507 -10.421 5.853 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.697 -9.435 3.560 1.00 0.46 C ATOM 0 H VAL A 107 -2.143 -9.219 2.834 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.070 -7.993 5.140 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.227 -10.892 4.199 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.266 -11.156 5.584 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.821 -10.857 6.579 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -4.988 -9.545 6.288 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.470 -10.173 3.343 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.159 -8.531 3.956 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.157 -9.195 2.644 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.769 -10.219 5.784 1.00 0.59 N ATOM 1745 CA ASN A 108 0.090 -10.794 6.856 1.00 0.63 C ATOM 1746 C ASN A 108 0.683 -9.676 7.724 1.00 0.63 C ATOM 1747 O ASN A 108 1.514 -9.921 8.576 1.00 0.66 O ATOM 1748 CB ASN A 108 1.234 -11.592 6.196 1.00 0.69 C ATOM 1749 CG ASN A 108 1.756 -12.658 7.165 1.00 1.07 C ATOM 1750 OD1 ASN A 108 1.729 -12.471 8.365 1.00 1.33 O ATOM 1751 ND2 ASN A 108 2.234 -13.775 6.690 1.00 1.35 N ATOM 0 H ASN A 108 -0.487 -10.461 4.834 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.511 -11.446 7.491 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.878 -12.064 5.280 1.00 0.69 H new ATOM 0 HB3 ASN A 108 2.043 -10.918 5.914 1.00 0.69 H new ATOM 0 HD21 ASN A 108 2.585 -14.491 7.326 1.00 1.35 H new ATOM 0 HD22 ASN A 108 2.257 -13.932 5.682 1.00 1.35 H new ATOM 1758 N CYS A 109 0.269 -8.455 7.521 1.00 0.61 N ATOM 1759 CA CYS A 109 0.819 -7.340 8.342 1.00 0.63 C ATOM 1760 C CYS A 109 2.345 -7.353 8.251 1.00 0.70 C ATOM 1761 O CYS A 109 3.017 -6.566 8.887 1.00 0.85 O ATOM 1762 CB CYS A 109 0.395 -7.524 9.801 1.00 0.62 C ATOM 1763 SG CYS A 109 0.754 -6.011 10.727 1.00 0.66 S ATOM 0 H CYS A 109 -0.424 -8.182 6.824 1.00 0.61 H new ATOM 0 HA CYS A 109 0.437 -6.389 7.970 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.669 -7.753 9.856 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.926 -8.368 10.242 1.00 0.62 H new ATOM 0 HG CYS A 109 1.910 -5.542 10.361 1.00 0.66 H new ATOM 1769 N ASP A 110 2.904 -8.234 7.460 1.00 0.72 N ATOM 1770 CA ASP A 110 4.376 -8.273 7.335 1.00 0.79 C ATOM 1771 C ASP A 110 4.814 -7.078 6.512 1.00 0.81 C ATOM 1772 O ASP A 110 4.045 -6.492 5.777 1.00 0.80 O ATOM 1773 CB ASP A 110 4.827 -9.558 6.638 1.00 0.84 C ATOM 1774 CG ASP A 110 4.220 -10.770 7.346 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.776 -10.613 8.471 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.212 -11.836 6.751 1.00 0.98 O ATOM 0 H ASP A 110 2.399 -8.922 6.901 1.00 0.72 H new ATOM 0 HA ASP A 110 4.824 -8.246 8.328 1.00 0.79 H new ATOM 0 HB2 ASP A 110 4.518 -9.543 5.593 1.00 0.84 H new ATOM 0 HB3 ASP A 110 5.915 -9.626 6.648 1.00 0.84 H new ATOM 1781 N LEU A 111 6.044 -6.715 6.638 1.00 0.89 N ATOM 1782 CA LEU A 111 6.577 -5.559 5.885 1.00 0.93 C ATOM 1783 C LEU A 111 7.284 -6.061 4.631 1.00 0.97 C ATOM 1784 O LEU A 111 7.045 -5.609 3.551 1.00 0.96 O ATOM 1785 CB LEU A 111 7.590 -4.828 6.771 1.00 1.02 C ATOM 1786 CG LEU A 111 6.861 -3.958 7.798 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.061 -4.846 8.757 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.892 -3.147 8.591 1.00 1.12 C ATOM 0 H LEU A 111 6.721 -7.179 7.244 1.00 0.89 H new ATOM 0 HA LEU A 111 5.766 -4.887 5.604 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.226 -5.551 7.282 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.242 -4.208 6.156 1.00 1.02 H new ATOM 0 HG LEU A 111 6.177 -3.283 7.283 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.544 -4.221 9.486 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.330 -5.425 8.192 1.00 1.09 H new ATOM 0 HD13 LEU A 111 6.739 -5.524 9.276 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.379 -2.525 9.325 1.00 1.12 H new ATOM 0 HD22 LEU A 111 8.573 -3.826 9.104 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.458 -2.512 7.909 1.00 1.12 H new ATOM 1800 N LYS A 112 8.179 -6.977 4.809 1.00 1.00 N ATOM 1801 CA LYS A 112 8.993 -7.522 3.687 1.00 1.04 C ATOM 1802 C LYS A 112 8.282 -7.504 2.329 1.00 1.02 C ATOM 1803 O LYS A 112 8.558 -6.689 1.466 1.00 1.04 O ATOM 1804 CB LYS A 112 9.308 -8.971 4.050 1.00 1.06 C ATOM 1805 CG LYS A 112 10.202 -9.595 2.978 1.00 1.12 C ATOM 1806 CD LYS A 112 10.977 -10.787 3.565 1.00 1.15 C ATOM 1807 CE LYS A 112 11.425 -11.726 2.438 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.283 -12.593 2.032 1.00 1.17 N ATOM 0 H LYS A 112 8.392 -7.389 5.717 1.00 1.00 H new ATOM 0 HA LYS A 112 9.876 -6.894 3.571 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.805 -9.012 5.019 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.383 -9.541 4.142 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.596 -9.925 2.135 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.900 -8.850 2.596 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.845 -10.430 4.119 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.348 -11.328 4.272 1.00 1.15 H new ATOM 0 HE2 LYS A 112 11.777 -11.146 1.585 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.261 -12.340 2.772 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 10.621 -13.329 1.380 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.870 -13.040 2.875 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 9.560 -12.015 1.557 1.00 1.17 H new ATOM 1822 N SER A 113 7.402 -8.412 2.133 1.00 0.98 N ATOM 1823 CA SER A 113 6.679 -8.510 0.837 1.00 0.96 C ATOM 1824 C SER A 113 5.867 -7.230 0.567 1.00 0.92 C ATOM 1825 O SER A 113 6.020 -6.567 -0.448 1.00 0.94 O ATOM 1826 CB SER A 113 5.743 -9.710 0.960 1.00 0.92 C ATOM 1827 OG SER A 113 5.467 -9.934 2.336 1.00 0.90 O ATOM 0 H SER A 113 7.137 -9.114 2.824 1.00 0.98 H new ATOM 0 HA SER A 113 7.377 -8.629 0.008 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.818 -9.525 0.414 1.00 0.92 H new ATOM 0 HB3 SER A 113 6.202 -10.594 0.518 1.00 0.92 H new ATOM 0 HG SER A 113 4.517 -9.768 2.510 1.00 0.90 H new ATOM 1833 N THR A 114 5.001 -6.906 1.476 1.00 0.88 N ATOM 1834 CA THR A 114 4.136 -5.695 1.345 1.00 0.85 C ATOM 1835 C THR A 114 4.968 -4.530 0.788 1.00 0.89 C ATOM 1836 O THR A 114 4.495 -3.737 0.005 1.00 0.89 O ATOM 1837 CB THR A 114 3.545 -5.371 2.747 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.141 -5.566 2.715 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.832 -3.925 3.185 1.00 0.84 C ATOM 0 H THR A 114 4.848 -7.441 2.331 1.00 0.88 H new ATOM 0 HA THR A 114 3.314 -5.868 0.650 1.00 0.85 H new ATOM 0 HB THR A 114 4.021 -6.039 3.465 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.763 -5.365 3.596 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.398 -3.750 4.170 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.909 -3.765 3.229 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.392 -3.233 2.467 1.00 0.84 H new ATOM 1847 N LEU A 115 6.200 -4.436 1.191 1.00 0.95 N ATOM 1848 CA LEU A 115 7.072 -3.348 0.704 1.00 1.00 C ATOM 1849 C LEU A 115 7.359 -3.598 -0.765 1.00 1.02 C ATOM 1850 O LEU A 115 7.270 -2.712 -1.575 1.00 1.02 O ATOM 1851 CB LEU A 115 8.378 -3.349 1.501 1.00 1.06 C ATOM 1852 CG LEU A 115 8.156 -2.707 2.880 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.372 -3.001 3.763 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.962 -1.180 2.750 1.00 1.06 C ATOM 0 H LEU A 115 6.643 -5.079 1.847 1.00 0.95 H new ATOM 0 HA LEU A 115 6.587 -2.380 0.830 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.739 -4.370 1.621 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.146 -2.801 0.956 1.00 1.06 H new ATOM 0 HG LEU A 115 7.255 -3.127 3.328 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.226 -2.550 4.745 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.490 -4.079 3.873 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.267 -2.583 3.301 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.807 -0.748 3.738 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.849 -0.738 2.296 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.093 -0.976 2.124 1.00 1.06 H new ATOM 1866 N ARG A 116 7.694 -4.806 -1.118 1.00 1.03 N ATOM 1867 CA ARG A 116 7.968 -5.109 -2.556 1.00 1.05 C ATOM 1868 C ARG A 116 6.880 -4.471 -3.447 1.00 1.01 C ATOM 1869 O ARG A 116 7.167 -3.769 -4.399 1.00 1.04 O ATOM 1870 CB ARG A 116 7.940 -6.640 -2.723 1.00 1.04 C ATOM 1871 CG ARG A 116 9.176 -7.140 -3.475 1.00 1.10 C ATOM 1872 CD ARG A 116 9.068 -8.658 -3.634 1.00 1.10 C ATOM 1873 NE ARG A 116 9.037 -9.292 -2.285 1.00 1.16 N ATOM 1874 CZ ARG A 116 8.657 -10.533 -2.153 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.299 -11.222 -3.201 1.00 1.13 N ATOM 1876 NH2 ARG A 116 8.633 -11.085 -0.970 1.00 1.23 N ATOM 0 H ARG A 116 7.791 -5.596 -0.480 1.00 1.03 H new ATOM 0 HA ARG A 116 8.936 -4.705 -2.852 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.892 -7.114 -1.743 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.040 -6.933 -3.263 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.244 -6.661 -4.452 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.083 -6.880 -2.928 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.166 -8.914 -4.190 1.00 1.10 H new ATOM 0 HD3 ARG A 116 9.914 -9.037 -4.207 1.00 1.10 H new ATOM 0 HE ARG A 116 9.313 -8.754 -1.464 1.00 1.16 H new ATOM 0 HH11 ARG A 116 8.316 -10.791 -4.125 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.002 -12.192 -3.096 1.00 1.13 H new ATOM 0 HH21 ARG A 116 8.911 -10.546 -0.150 1.00 1.23 H new ATOM 0 HH22 ARG A 116 8.336 -12.055 -0.866 1.00 1.23 H new ATOM 1890 N VAL A 117 5.637 -4.739 -3.149 1.00 0.95 N ATOM 1891 CA VAL A 117 4.521 -4.191 -3.975 1.00 0.91 C ATOM 1892 C VAL A 117 4.371 -2.686 -3.757 1.00 0.92 C ATOM 1893 O VAL A 117 4.351 -1.925 -4.698 1.00 0.94 O ATOM 1894 CB VAL A 117 3.213 -4.919 -3.606 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.996 -4.131 -4.112 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.211 -6.310 -4.250 1.00 0.85 C ATOM 0 H VAL A 117 5.344 -5.319 -2.362 1.00 0.95 H new ATOM 0 HA VAL A 117 4.745 -4.355 -5.029 1.00 0.91 H new ATOM 0 HB VAL A 117 3.153 -5.004 -2.521 1.00 0.85 H new ATOM 0 HG11 VAL A 117 1.082 -4.660 -3.842 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.989 -3.140 -3.657 1.00 0.82 H new ATOM 0 HG13 VAL A 117 2.052 -4.032 -5.196 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.288 -6.829 -3.992 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.280 -6.210 -5.333 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.063 -6.882 -3.883 1.00 0.85 H new ATOM 1906 N LEU A 118 4.254 -2.251 -2.537 1.00 0.91 N ATOM 1907 CA LEU A 118 4.092 -0.795 -2.278 1.00 0.92 C ATOM 1908 C LEU A 118 5.126 -0.028 -3.099 1.00 0.98 C ATOM 1909 O LEU A 118 4.851 1.027 -3.624 1.00 1.00 O ATOM 1910 CB LEU A 118 4.290 -0.513 -0.786 1.00 0.92 C ATOM 1911 CG LEU A 118 2.981 -0.747 -0.012 1.00 0.86 C ATOM 1912 CD1 LEU A 118 3.258 -0.637 1.495 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.916 0.301 -0.428 1.00 0.81 C ATOM 0 H LEU A 118 4.263 -2.841 -1.705 1.00 0.91 H new ATOM 0 HA LEU A 118 3.090 -0.475 -2.565 1.00 0.92 H new ATOM 0 HB2 LEU A 118 5.074 -1.158 -0.389 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.623 0.515 -0.646 1.00 0.92 H new ATOM 0 HG LEU A 118 2.600 -1.742 -0.244 1.00 0.86 H new ATOM 0 HD11 LEU A 118 2.333 -0.802 2.048 1.00 0.86 H new ATOM 0 HD12 LEU A 118 3.993 -1.387 1.785 1.00 0.86 H new ATOM 0 HD13 LEU A 118 3.644 0.357 1.722 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.995 0.124 0.127 1.00 0.81 H new ATOM 0 HD22 LEU A 118 2.286 1.302 -0.208 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.718 0.214 -1.496 1.00 0.81 H new ATOM 1925 N TYR A 119 6.302 -0.565 -3.235 1.00 1.03 N ATOM 1926 CA TYR A 119 7.328 0.119 -4.049 1.00 1.09 C ATOM 1927 C TYR A 119 6.807 0.173 -5.472 1.00 1.08 C ATOM 1928 O TYR A 119 6.707 1.214 -6.086 1.00 1.11 O ATOM 1929 CB TYR A 119 8.609 -0.703 -4.017 1.00 1.13 C ATOM 1930 CG TYR A 119 9.723 0.091 -4.632 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.340 1.104 -3.900 1.00 1.24 C ATOM 1932 CD2 TYR A 119 10.131 -0.187 -5.933 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.379 1.846 -4.473 1.00 1.31 C ATOM 1934 CE2 TYR A 119 11.169 0.550 -6.514 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.794 1.569 -5.783 1.00 1.34 C ATOM 1936 OH TYR A 119 12.818 2.299 -6.352 1.00 1.41 O ATOM 0 H TYR A 119 6.594 -1.448 -2.816 1.00 1.03 H new ATOM 0 HA TYR A 119 7.531 1.120 -3.670 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.860 -0.967 -2.990 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.469 -1.637 -4.561 1.00 1.13 H new ATOM 0 HD1 TYR A 119 10.017 1.316 -2.892 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.646 -0.972 -6.495 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.860 2.630 -3.907 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.488 0.334 -7.523 1.00 1.31 H new ATOM 0 HH TYR A 119 12.981 1.978 -7.263 1.00 1.41 H new ATOM 1946 N ASN A 120 6.462 -0.967 -5.983 1.00 1.06 N ATOM 1947 CA ASN A 120 5.921 -1.057 -7.363 1.00 1.05 C ATOM 1948 C ASN A 120 4.874 0.057 -7.580 1.00 1.03 C ATOM 1949 O ASN A 120 4.780 0.644 -8.645 1.00 1.05 O ATOM 1950 CB ASN A 120 5.267 -2.452 -7.518 1.00 1.01 C ATOM 1951 CG ASN A 120 5.552 -3.025 -8.913 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.337 -2.364 -9.909 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.030 -4.234 -9.023 1.00 1.06 N ATOM 0 H ASN A 120 6.533 -1.860 -5.494 1.00 1.06 H new ATOM 0 HA ASN A 120 6.711 -0.929 -8.103 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.652 -3.128 -6.755 1.00 1.01 H new ATOM 0 HB3 ASN A 120 4.191 -2.375 -7.362 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.223 -4.624 -9.945 1.00 1.06 H new ATOM 0 HD22 ASN A 120 6.211 -4.789 -8.187 1.00 1.06 H new ATOM 1960 N LEU A 121 4.089 0.351 -6.577 1.00 0.99 N ATOM 1961 CA LEU A 121 3.055 1.409 -6.723 1.00 0.97 C ATOM 1962 C LEU A 121 3.718 2.780 -6.701 1.00 1.03 C ATOM 1963 O LEU A 121 3.658 3.500 -7.662 1.00 1.05 O ATOM 1964 CB LEU A 121 2.055 1.318 -5.566 1.00 0.92 C ATOM 1965 CG LEU A 121 0.939 0.323 -5.905 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.544 -1.054 -6.183 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.029 0.223 -4.724 1.00 0.87 C ATOM 0 H LEU A 121 4.122 -0.099 -5.662 1.00 0.99 H new ATOM 0 HA LEU A 121 2.533 1.268 -7.670 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.568 1.004 -4.657 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.627 2.301 -5.368 1.00 0.92 H new ATOM 0 HG LEU A 121 0.404 0.668 -6.789 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.748 -1.759 -6.424 1.00 0.86 H new ATOM 0 HD12 LEU A 121 2.234 -0.985 -7.024 1.00 0.86 H new ATOM 0 HD13 LEU A 121 2.081 -1.400 -5.300 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -0.823 -0.484 -4.963 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.509 -0.121 -3.841 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.463 1.203 -4.526 1.00 0.87 H new ATOM 1979 N PHE A 122 4.347 3.146 -5.609 1.00 1.05 N ATOM 1980 CA PHE A 122 5.008 4.483 -5.521 1.00 1.11 C ATOM 1981 C PHE A 122 5.689 4.787 -6.828 1.00 1.16 C ATOM 1982 O PHE A 122 5.821 5.909 -7.245 1.00 1.20 O ATOM 1983 CB PHE A 122 6.072 4.409 -4.407 1.00 1.14 C ATOM 1984 CG PHE A 122 6.166 5.710 -3.674 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.230 5.978 -2.695 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.186 6.625 -3.955 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.296 7.177 -1.972 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.256 7.827 -3.243 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.310 8.103 -2.249 1.00 1.27 C ATOM 0 H PHE A 122 4.430 2.571 -4.771 1.00 1.05 H new ATOM 0 HA PHE A 122 4.274 5.260 -5.306 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.819 3.611 -3.709 1.00 1.14 H new ATOM 0 HB3 PHE A 122 7.041 4.159 -4.839 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.447 5.264 -2.486 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.917 6.404 -4.719 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.567 7.386 -1.203 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.038 8.540 -3.460 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.362 9.029 -1.696 1.00 1.27 H new ATOM 1999 N THR A 123 6.096 3.772 -7.464 1.00 1.15 N ATOM 2000 CA THR A 123 6.775 3.942 -8.765 1.00 1.20 C ATOM 2001 C THR A 123 5.764 4.388 -9.817 1.00 1.18 C ATOM 2002 O THR A 123 5.971 5.349 -10.530 1.00 1.22 O ATOM 2003 CB THR A 123 7.402 2.612 -9.189 1.00 1.21 C ATOM 2004 OG1 THR A 123 8.159 2.082 -8.110 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.316 2.835 -10.395 1.00 1.27 C ATOM 0 H THR A 123 5.995 2.807 -7.149 1.00 1.15 H new ATOM 0 HA THR A 123 7.554 4.698 -8.671 1.00 1.20 H new ATOM 0 HB THR A 123 6.614 1.910 -9.460 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.555 1.669 -7.458 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.761 1.886 -10.695 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.734 3.240 -11.223 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.105 3.538 -10.128 1.00 1.27 H new ATOM 2013 N LYS A 124 4.689 3.676 -9.937 1.00 1.12 N ATOM 2014 CA LYS A 124 3.679 4.011 -10.977 1.00 1.10 C ATOM 2015 C LYS A 124 2.792 5.208 -10.615 1.00 1.10 C ATOM 2016 O LYS A 124 2.175 5.787 -11.487 1.00 1.11 O ATOM 2017 CB LYS A 124 2.791 2.797 -11.169 1.00 1.04 C ATOM 2018 CG LYS A 124 3.631 1.624 -11.661 1.00 1.04 C ATOM 2019 CD LYS A 124 2.784 0.336 -11.628 1.00 0.99 C ATOM 2020 CE LYS A 124 3.109 -0.505 -12.861 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.320 -1.761 -12.837 1.00 0.92 N ATOM 0 H LYS A 124 4.460 2.869 -9.357 1.00 1.12 H new ATOM 0 HA LYS A 124 4.222 4.285 -11.881 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.302 2.539 -10.230 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.003 3.020 -11.888 1.00 1.04 H new ATOM 0 HG2 LYS A 124 3.983 1.815 -12.675 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.515 1.507 -11.034 1.00 1.04 H new ATOM 0 HD2 LYS A 124 2.994 -0.230 -10.720 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.723 0.584 -11.610 1.00 0.99 H new ATOM 0 HE2 LYS A 124 2.884 0.059 -13.766 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.174 -0.735 -12.885 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 2.963 -2.573 -12.742 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.664 -1.743 -12.030 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 1.780 -1.848 -13.721 1.00 0.92 H new ATOM 2035 N TYR A 125 2.681 5.575 -9.362 1.00 1.10 N ATOM 2036 CA TYR A 125 1.782 6.720 -8.997 1.00 1.11 C ATOM 2037 C TYR A 125 2.615 7.957 -8.650 1.00 1.17 C ATOM 2038 O TYR A 125 2.113 9.061 -8.594 1.00 1.20 O ATOM 2039 CB TYR A 125 0.916 6.302 -7.801 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.277 5.489 -8.287 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.088 4.225 -8.883 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.576 6.001 -8.145 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.193 3.489 -9.325 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.677 5.259 -8.590 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.486 4.004 -9.179 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.573 3.275 -9.617 1.00 0.86 O ATOM 0 H TYR A 125 3.168 5.137 -8.580 1.00 1.10 H new ATOM 0 HA TYR A 125 1.141 6.972 -9.842 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.508 5.713 -7.100 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.571 7.185 -7.264 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.909 3.825 -8.998 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.727 6.969 -7.691 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.048 2.520 -9.780 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.675 5.656 -8.478 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.396 3.776 -9.439 1.00 0.86 H new ATOM 2056 N ARG A 126 3.879 7.777 -8.422 1.00 1.20 N ATOM 2057 CA ARG A 126 4.769 8.918 -8.087 1.00 1.27 C ATOM 2058 C ARG A 126 4.475 10.110 -9.014 1.00 1.31 C ATOM 2059 O ARG A 126 4.668 11.255 -8.655 1.00 1.35 O ATOM 2060 CB ARG A 126 6.225 8.416 -8.240 1.00 1.31 C ATOM 2061 CG ARG A 126 7.109 9.463 -8.925 1.00 1.38 C ATOM 2062 CD ARG A 126 8.586 9.008 -8.947 1.00 1.42 C ATOM 2063 NE ARG A 126 9.478 10.164 -8.608 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.317 11.334 -9.171 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.449 11.493 -10.132 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.056 12.341 -8.793 1.00 1.59 N ATOM 0 H ARG A 126 4.344 6.870 -8.454 1.00 1.20 H new ATOM 0 HA ARG A 126 4.604 9.267 -7.068 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.634 8.178 -7.258 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.234 7.494 -8.821 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.760 9.629 -9.944 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.025 10.415 -8.401 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.737 8.198 -8.233 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.841 8.617 -9.932 1.00 1.42 H new ATOM 0 HE ARG A 126 10.225 10.036 -7.925 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.889 10.702 -10.450 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.330 12.409 -10.565 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.755 12.214 -8.062 1.00 1.59 H new ATOM 0 HH22 ARG A 126 9.934 13.255 -9.229 1.00 1.59 H new ATOM 2080 N ASN A 127 4.032 9.840 -10.202 1.00 1.30 N ATOM 2081 CA ASN A 127 3.743 10.927 -11.174 1.00 1.33 C ATOM 2082 C ASN A 127 2.300 11.370 -10.987 1.00 1.29 C ATOM 2083 O ASN A 127 1.906 12.464 -11.340 1.00 1.31 O ATOM 2084 CB ASN A 127 3.950 10.359 -12.590 1.00 1.35 C ATOM 2085 CG ASN A 127 5.329 10.754 -13.132 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.549 11.893 -13.495 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.271 9.853 -13.203 1.00 1.46 N ATOM 0 H ASN A 127 3.854 8.898 -10.549 1.00 1.30 H new ATOM 0 HA ASN A 127 4.400 11.784 -11.023 1.00 1.33 H new ATOM 0 HB2 ASN A 127 3.859 9.273 -12.569 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.171 10.732 -13.255 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.192 10.105 -13.563 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.087 8.897 -12.898 1.00 1.46 H new ATOM 2094 N VAL A 128 1.525 10.509 -10.429 1.00 1.23 N ATOM 2095 CA VAL A 128 0.101 10.806 -10.186 1.00 1.18 C ATOM 2096 C VAL A 128 -0.023 11.616 -8.905 1.00 1.15 C ATOM 2097 O VAL A 128 0.617 11.352 -7.907 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.649 9.484 -10.054 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.047 9.722 -9.473 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.779 8.833 -11.433 1.00 1.17 C ATOM 0 H VAL A 128 1.824 9.584 -10.121 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.322 11.382 -11.009 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.093 8.828 -9.385 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.571 8.770 -9.384 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -1.958 10.181 -8.488 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.607 10.385 -10.133 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.315 7.888 -11.340 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.329 9.498 -12.099 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.214 8.648 -11.843 1.00 1.17 H new