USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 MET CE :methyl 180:sc=-0.00534 (180deg=-0.00534) USER MOD Set 1.2: A 125 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 76 SER OG : rot -67:sc= 0.174 USER MOD Set 2.2: A 79 GLN : amide:sc= -2.36! C(o=-2.2!,f=-4.4!) USER MOD Set 3.1: A 30 ASN :FLIP amide:sc= -1.77 F(o=-13!,f=-5.6) USER MOD Set 3.2: A 34 ASN : amide:sc= -3.88! C(o=-5.6!,f=-13!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 35 LYS NZ :NH3+ 142:sc= 0.15 (180deg=-0.0241) USER MOD Set 5.1: A 19 ASN :FLIP amide:sc= 0.472 F(o=-4.6!,f=1.5) USER MOD Set 5.2: A 22 LYS NZ :NH3+ 142:sc= 1.07 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 25:sc= 0.444 USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.931 F(o=-1.4,f=-0.93) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= -1.06 (180deg=-1.49) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -8.77! C(o=-8.8!,f=-13!) USER MOD Single : A 37 ASN : amide:sc= -6.83! C(o=-6.8!,f=-6.7!) USER MOD Single : A 41 THR OG1 : rot -54:sc= 0.688 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 46 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.18) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc=-0.00609 (180deg=-0.00609) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -2.77! C(o=-2.8!,f=-7.3!) USER MOD Single : A 85 SER OG : rot 70:sc= 0.755 USER MOD Single : A 92 GLN : amide:sc= -3.4! C(o=-3.4!,f=-9.1!) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -0.188 (180deg=-0.891) USER MOD Single : A 100 LYS NZ :NH3+ 160:sc= -0.191 (180deg=-1.12) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 CYS SG : rot -28:sc= -1.51 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -120:sc= -0.467 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.031) USER MOD Single : A 123 THR OG1 : rot 73:sc= 1.11 USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= -5.6! (180deg=-5.91!) USER MOD Single : A 127 ASN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 137 N THR A 9 19.301 -7.655 0.017 1.00 1.61 N ATOM 138 CA THR A 9 20.240 -6.507 0.199 1.00 1.66 C ATOM 139 C THR A 9 19.666 -5.485 1.175 1.00 1.62 C ATOM 140 O THR A 9 20.374 -4.901 1.970 1.00 1.65 O ATOM 141 CB THR A 9 20.500 -5.836 -1.157 1.00 1.71 C ATOM 142 OG1 THR A 9 20.644 -6.838 -2.155 1.00 1.71 O ATOM 143 CG2 THR A 9 21.782 -4.993 -1.090 1.00 1.78 C ATOM 0 HA THR A 9 21.176 -6.887 0.608 1.00 1.66 H new ATOM 0 HB THR A 9 19.660 -5.186 -1.403 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.173 -7.650 -1.874 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.958 -4.521 -2.057 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.672 -4.224 -0.325 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.627 -5.635 -0.840 1.00 1.78 H new ATOM 151 N LEU A 10 18.398 -5.258 1.112 1.00 1.55 N ATOM 152 CA LEU A 10 17.771 -4.258 2.022 1.00 1.52 C ATOM 153 C LEU A 10 17.832 -4.755 3.477 1.00 1.51 C ATOM 154 O LEU A 10 18.376 -4.100 4.343 1.00 1.54 O ATOM 155 CB LEU A 10 16.305 -4.045 1.593 1.00 1.44 C ATOM 156 CG LEU A 10 16.217 -2.959 0.497 1.00 1.43 C ATOM 157 CD1 LEU A 10 14.958 -3.175 -0.348 1.00 1.48 C ATOM 158 CD2 LEU A 10 16.151 -1.567 1.141 1.00 1.36 C ATOM 0 H LEU A 10 17.756 -5.720 0.468 1.00 1.55 H new ATOM 0 HA LEU A 10 18.312 -3.314 1.959 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.889 -4.981 1.221 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.706 -3.750 2.455 1.00 1.44 H new ATOM 0 HG LEU A 10 17.102 -3.028 -0.135 1.00 1.43 H new ATOM 0 HD11 LEU A 10 14.901 -2.407 -1.119 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.999 -4.158 -0.818 1.00 1.48 H new ATOM 0 HD13 LEU A 10 14.077 -3.114 0.290 1.00 1.48 H new ATOM 0 HD21 LEU A 10 16.089 -0.808 0.361 1.00 1.36 H new ATOM 0 HD22 LEU A 10 15.270 -1.503 1.780 1.00 1.36 H new ATOM 0 HD23 LEU A 10 17.047 -1.400 1.740 1.00 1.36 H new ATOM 170 N PHE A 11 17.272 -5.900 3.748 1.00 1.48 N ATOM 171 CA PHE A 11 17.281 -6.438 5.142 1.00 1.48 C ATOM 172 C PHE A 11 18.708 -6.776 5.562 1.00 1.55 C ATOM 173 O PHE A 11 19.043 -6.761 6.730 1.00 1.57 O ATOM 174 CB PHE A 11 16.413 -7.705 5.177 1.00 1.42 C ATOM 175 CG PHE A 11 14.979 -7.321 5.379 1.00 1.36 C ATOM 176 CD1 PHE A 11 14.220 -7.077 4.267 1.00 1.31 C ATOM 177 CD2 PHE A 11 14.432 -7.192 6.659 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.888 -6.696 4.388 1.00 1.25 C ATOM 179 CE2 PHE A 11 13.091 -6.814 6.802 1.00 1.27 C ATOM 180 CZ PHE A 11 12.316 -6.562 5.662 1.00 1.23 C ATOM 0 H PHE A 11 16.805 -6.492 3.061 1.00 1.48 H new ATOM 0 HA PHE A 11 16.885 -5.692 5.832 1.00 1.48 H new ATOM 0 HB2 PHE A 11 16.524 -8.261 4.246 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.742 -8.362 5.982 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.659 -7.181 3.286 1.00 1.31 H new ATOM 0 HD2 PHE A 11 15.039 -7.382 7.532 1.00 1.34 H new ATOM 0 HE1 PHE A 11 12.296 -6.504 3.505 1.00 1.25 H new ATOM 0 HE2 PHE A 11 12.656 -6.717 7.786 1.00 1.27 H new ATOM 0 HZ PHE A 11 11.282 -6.266 5.764 1.00 1.23 H new ATOM 190 N ASP A 12 19.546 -7.088 4.626 1.00 1.58 N ATOM 191 CA ASP A 12 20.950 -7.438 4.986 1.00 1.65 C ATOM 192 C ASP A 12 21.721 -6.185 5.367 1.00 1.70 C ATOM 193 O ASP A 12 22.410 -6.145 6.368 1.00 1.75 O ATOM 194 CB ASP A 12 21.645 -8.101 3.798 1.00 1.68 C ATOM 195 CG ASP A 12 22.943 -8.760 4.267 1.00 1.63 C ATOM 196 OD1 ASP A 12 23.792 -8.052 4.782 1.00 1.58 O ATOM 197 OD2 ASP A 12 23.066 -9.963 4.104 1.00 1.65 O ATOM 0 H ASP A 12 19.328 -7.118 3.630 1.00 1.58 H new ATOM 0 HA ASP A 12 20.927 -8.126 5.831 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.988 -8.846 3.349 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.859 -7.359 3.028 1.00 1.68 H new ATOM 202 N HIS A 13 21.634 -5.180 4.549 1.00 1.70 N ATOM 203 CA HIS A 13 22.394 -3.908 4.811 1.00 1.76 C ATOM 204 C HIS A 13 21.463 -2.703 5.024 1.00 1.73 C ATOM 205 O HIS A 13 21.861 -1.580 4.792 1.00 1.77 O ATOM 206 CB HIS A 13 23.300 -3.621 3.612 1.00 1.80 C ATOM 207 CG HIS A 13 24.287 -2.544 3.972 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.352 -1.212 3.645 1.00 1.87 N flip ATOM 209 CD2 HIS A 13 25.386 -2.789 4.780 1.00 1.91 C flip ATOM 210 CE1 HIS A 13 25.472 -0.638 4.238 1.00 1.93 C flip ATOM 211 NE2 HIS A 13 26.060 -1.632 4.910 1.00 1.95 N flip ATOM 0 H HIS A 13 21.068 -5.174 3.701 1.00 1.70 H new ATOM 0 HA HIS A 13 22.972 -4.048 5.724 1.00 1.76 H new ATOM 0 HB2 HIS A 13 23.828 -4.528 3.317 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.701 -3.308 2.757 1.00 1.80 H new ATOM 0 HD2 HIS A 13 25.653 -3.736 5.224 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.796 0.390 4.170 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.916 -1.526 5.455 1.00 1.95 H new ATOM 219 N ALA A 14 20.250 -2.892 5.480 1.00 1.66 N ATOM 220 CA ALA A 14 19.377 -1.693 5.704 1.00 1.63 C ATOM 221 C ALA A 14 18.067 -2.057 6.417 1.00 1.56 C ATOM 222 O ALA A 14 17.006 -1.905 5.846 1.00 1.51 O ATOM 223 CB ALA A 14 19.045 -1.048 4.356 1.00 1.62 C ATOM 0 H ALA A 14 19.833 -3.796 5.702 1.00 1.66 H new ATOM 0 HA ALA A 14 19.927 -1.000 6.341 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.411 -0.176 4.516 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.967 -0.740 3.863 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.521 -1.768 3.728 1.00 1.62 H new ATOM 229 N PRO A 15 18.162 -2.486 7.656 1.00 1.57 N ATOM 230 CA PRO A 15 16.967 -2.815 8.447 1.00 1.51 C ATOM 231 C PRO A 15 16.285 -1.505 8.878 1.00 1.50 C ATOM 232 O PRO A 15 15.152 -1.495 9.315 1.00 1.44 O ATOM 233 CB PRO A 15 17.513 -3.578 9.679 1.00 1.54 C ATOM 234 CG PRO A 15 19.066 -3.529 9.608 1.00 1.62 C ATOM 235 CD PRO A 15 19.441 -2.697 8.365 1.00 1.64 C ATOM 0 HA PRO A 15 16.233 -3.407 7.900 1.00 1.51 H new ATOM 0 HB2 PRO A 15 17.157 -3.121 10.602 1.00 1.54 H new ATOM 0 HB3 PRO A 15 17.161 -4.610 9.678 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.478 -3.078 10.511 1.00 1.62 H new ATOM 0 HG3 PRO A 15 19.480 -4.535 9.536 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.899 -1.749 8.646 1.00 1.64 H new ATOM 0 HD3 PRO A 15 20.160 -3.224 7.737 1.00 1.64 H new ATOM 243 N ASP A 16 16.988 -0.404 8.777 1.00 1.55 N ATOM 244 CA ASP A 16 16.405 0.908 9.204 1.00 1.55 C ATOM 245 C ASP A 16 15.620 1.555 8.057 1.00 1.52 C ATOM 246 O ASP A 16 14.540 2.081 8.250 1.00 1.48 O ATOM 247 CB ASP A 16 17.537 1.845 9.629 1.00 1.63 C ATOM 248 CG ASP A 16 16.947 3.127 10.218 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.221 3.028 11.193 1.00 1.64 O ATOM 250 OD2 ASP A 16 17.231 4.187 9.684 1.00 1.68 O ATOM 0 H ASP A 16 17.941 -0.356 8.417 1.00 1.55 H new ATOM 0 HA ASP A 16 15.724 0.733 10.037 1.00 1.55 H new ATOM 0 HB2 ASP A 16 18.173 1.353 10.365 1.00 1.63 H new ATOM 0 HB3 ASP A 16 18.167 2.083 8.772 1.00 1.63 H new ATOM 255 N LYS A 17 16.157 1.536 6.871 1.00 1.55 N ATOM 256 CA LYS A 17 15.447 2.163 5.722 1.00 1.54 C ATOM 257 C LYS A 17 14.087 1.495 5.543 1.00 1.46 C ATOM 258 O LYS A 17 13.075 2.151 5.414 1.00 1.42 O ATOM 259 CB LYS A 17 16.279 1.988 4.450 1.00 1.59 C ATOM 260 CG LYS A 17 17.700 2.492 4.702 1.00 1.67 C ATOM 261 CD LYS A 17 18.504 2.432 3.402 1.00 1.72 C ATOM 262 CE LYS A 17 19.988 2.643 3.708 1.00 1.80 C ATOM 263 NZ LYS A 17 20.712 2.967 2.447 1.00 1.80 N ATOM 0 H LYS A 17 17.058 1.113 6.646 1.00 1.55 H new ATOM 0 HA LYS A 17 15.306 3.226 5.915 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.300 0.938 4.157 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.826 2.540 3.627 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.673 3.515 5.078 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.182 1.884 5.468 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.356 1.468 2.915 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.153 3.197 2.709 1.00 1.72 H new ATOM 0 HE2 LYS A 17 20.111 3.451 4.429 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.408 1.745 4.161 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.721 3.111 2.653 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 20.605 2.182 1.774 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.316 3.835 2.033 1.00 1.80 H new ATOM 277 N LEU A 18 14.054 0.194 5.538 1.00 1.43 N ATOM 278 CA LEU A 18 12.759 -0.522 5.372 1.00 1.36 C ATOM 279 C LEU A 18 11.703 0.102 6.291 1.00 1.31 C ATOM 280 O LEU A 18 10.539 0.196 5.947 1.00 1.26 O ATOM 281 CB LEU A 18 12.958 -1.997 5.739 1.00 1.35 C ATOM 282 CG LEU A 18 13.753 -2.713 4.626 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.490 -3.919 5.214 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.802 -3.193 3.518 1.00 1.41 C ATOM 0 H LEU A 18 14.871 -0.408 5.642 1.00 1.43 H new ATOM 0 HA LEU A 18 12.421 -0.441 4.339 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.491 -2.076 6.687 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.991 -2.480 5.876 1.00 1.35 H new ATOM 0 HG LEU A 18 14.472 -2.012 4.203 1.00 1.35 H new ATOM 0 HD11 LEU A 18 15.050 -4.423 4.426 1.00 1.28 H new ATOM 0 HD12 LEU A 18 15.178 -3.582 5.990 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.768 -4.612 5.645 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.375 -3.696 2.739 1.00 1.41 H new ATOM 0 HD22 LEU A 18 12.074 -3.887 3.939 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.281 -2.337 3.089 1.00 1.41 H new ATOM 296 N ASN A 19 12.102 0.537 7.455 1.00 1.33 N ATOM 297 CA ASN A 19 11.122 1.157 8.392 1.00 1.29 C ATOM 298 C ASN A 19 10.684 2.521 7.851 1.00 1.30 C ATOM 299 O ASN A 19 9.519 2.756 7.594 1.00 1.25 O ATOM 300 CB ASN A 19 11.771 1.340 9.766 1.00 1.32 C ATOM 301 CG ASN A 19 10.698 1.700 10.795 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.525 2.101 10.386 1.00 1.29 O flip ATOM 303 ND2 ASN A 19 10.929 1.616 11.985 1.00 1.22 N flip ATOM 0 H ASN A 19 13.062 0.490 7.797 1.00 1.33 H new ATOM 0 HA ASN A 19 10.252 0.507 8.484 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.282 0.424 10.063 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.525 2.126 9.722 1.00 1.32 H new ATOM 0 HD21 ASN A 19 11.845 1.303 12.306 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.207 1.859 12.663 1.00 1.22 H new ATOM 310 N VAL A 20 11.609 3.424 7.679 1.00 1.36 N ATOM 311 CA VAL A 20 11.245 4.772 7.159 1.00 1.38 C ATOM 312 C VAL A 20 10.617 4.639 5.769 1.00 1.34 C ATOM 313 O VAL A 20 9.832 5.468 5.351 1.00 1.32 O ATOM 314 CB VAL A 20 12.499 5.641 7.073 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.126 7.022 6.531 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.110 5.789 8.469 1.00 1.50 C ATOM 0 H VAL A 20 12.600 3.287 7.876 1.00 1.36 H new ATOM 0 HA VAL A 20 10.526 5.236 7.834 1.00 1.38 H new ATOM 0 HB VAL A 20 13.222 5.173 6.406 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.020 7.642 6.469 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.688 6.917 5.538 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.404 7.492 7.198 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.005 6.409 8.411 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.386 6.259 9.135 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.374 4.805 8.857 1.00 1.50 H new ATOM 326 N VAL A 21 10.945 3.605 5.044 1.00 1.33 N ATOM 327 CA VAL A 21 10.346 3.450 3.691 1.00 1.30 C ATOM 328 C VAL A 21 8.849 3.148 3.843 1.00 1.22 C ATOM 329 O VAL A 21 8.034 3.658 3.096 1.00 1.19 O ATOM 330 CB VAL A 21 11.058 2.328 2.922 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.302 2.035 1.621 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.495 2.768 2.580 1.00 1.38 C ATOM 0 H VAL A 21 11.594 2.870 5.326 1.00 1.33 H new ATOM 0 HA VAL A 21 10.468 4.372 3.123 1.00 1.30 H new ATOM 0 HB VAL A 21 11.085 1.431 3.541 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.809 1.238 1.077 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.284 1.724 1.854 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.275 2.934 1.006 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.999 1.971 2.034 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.463 3.666 1.963 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.040 2.979 3.500 1.00 1.38 H new ATOM 342 N LYS A 22 8.455 2.363 4.823 1.00 1.19 N ATOM 343 CA LYS A 22 7.000 2.113 4.991 1.00 1.12 C ATOM 344 C LYS A 22 6.373 3.457 5.322 1.00 1.12 C ATOM 345 O LYS A 22 5.299 3.750 4.894 1.00 1.09 O ATOM 346 CB LYS A 22 6.761 1.072 6.115 1.00 1.09 C ATOM 347 CG LYS A 22 5.402 1.278 6.854 1.00 1.03 C ATOM 348 CD LYS A 22 5.472 0.619 8.238 1.00 1.03 C ATOM 349 CE LYS A 22 6.245 1.529 9.213 1.00 1.09 C ATOM 350 NZ LYS A 22 7.072 0.685 10.122 1.00 1.14 N ATOM 0 H LYS A 22 9.067 1.899 5.494 1.00 1.19 H new ATOM 0 HA LYS A 22 6.551 1.698 4.088 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.788 0.070 5.687 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.575 1.132 6.838 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.188 2.342 6.956 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.589 0.843 6.272 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.466 0.438 8.616 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.964 -0.351 8.164 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.882 2.218 8.658 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.549 2.135 9.793 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.984 1.153 10.296 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.572 0.554 11.025 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.237 -0.242 9.680 1.00 1.14 H new ATOM 364 N LYS A 23 7.043 4.263 6.097 1.00 1.17 N ATOM 365 CA LYS A 23 6.479 5.599 6.469 1.00 1.18 C ATOM 366 C LYS A 23 6.263 6.454 5.209 1.00 1.20 C ATOM 367 O LYS A 23 5.360 7.270 5.142 1.00 1.20 O ATOM 368 CB LYS A 23 7.454 6.324 7.406 1.00 1.25 C ATOM 369 CG LYS A 23 7.664 5.498 8.693 1.00 1.23 C ATOM 370 CD LYS A 23 6.589 5.848 9.746 1.00 1.29 C ATOM 371 CE LYS A 23 7.083 6.978 10.662 1.00 1.36 C ATOM 372 NZ LYS A 23 7.355 8.199 9.853 1.00 1.39 N ATOM 0 H LYS A 23 7.960 4.057 6.492 1.00 1.17 H new ATOM 0 HA LYS A 23 5.523 5.450 6.970 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.409 6.477 6.903 1.00 1.25 H new ATOM 0 HB3 LYS A 23 7.064 7.310 7.657 1.00 1.25 H new ATOM 0 HG2 LYS A 23 7.620 4.434 8.460 1.00 1.23 H new ATOM 0 HG3 LYS A 23 8.656 5.694 9.099 1.00 1.23 H new ATOM 0 HD2 LYS A 23 5.668 6.152 9.248 1.00 1.29 H new ATOM 0 HD3 LYS A 23 6.353 4.966 10.341 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.334 7.195 11.424 1.00 1.36 H new ATOM 0 HE3 LYS A 23 7.988 6.667 11.184 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 7.491 9.012 10.487 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.214 8.055 9.285 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 6.550 8.383 9.221 1.00 1.39 H new ATOM 386 N THR A 24 7.072 6.275 4.203 1.00 1.22 N ATOM 387 CA THR A 24 6.888 7.085 2.964 1.00 1.24 C ATOM 388 C THR A 24 5.699 6.522 2.210 1.00 1.18 C ATOM 389 O THR A 24 5.016 7.205 1.467 1.00 1.18 O ATOM 390 CB THR A 24 8.151 7.005 2.098 1.00 1.30 C ATOM 391 OG1 THR A 24 9.297 7.154 2.925 1.00 1.36 O ATOM 392 CG2 THR A 24 8.130 8.120 1.049 1.00 1.31 C ATOM 0 H THR A 24 7.846 5.610 4.183 1.00 1.22 H new ATOM 0 HA THR A 24 6.712 8.131 3.214 1.00 1.24 H new ATOM 0 HB THR A 24 8.185 6.039 1.594 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.106 7.102 2.375 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.029 8.060 0.436 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.250 8.007 0.415 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.096 9.088 1.548 1.00 1.31 H new ATOM 400 N LEU A 25 5.427 5.280 2.431 1.00 1.13 N ATOM 401 CA LEU A 25 4.268 4.647 1.780 1.00 1.07 C ATOM 402 C LEU A 25 3.019 5.097 2.550 1.00 1.03 C ATOM 403 O LEU A 25 1.940 5.232 1.997 1.00 0.99 O ATOM 404 CB LEU A 25 4.486 3.136 1.830 1.00 1.03 C ATOM 405 CG LEU A 25 5.718 2.805 0.960 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.174 1.345 1.185 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.399 3.066 -0.536 1.00 1.09 C ATOM 0 H LEU A 25 5.966 4.668 3.044 1.00 1.13 H new ATOM 0 HA LEU A 25 4.144 4.932 0.735 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.645 2.807 2.857 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.605 2.611 1.460 1.00 1.03 H new ATOM 0 HG LEU A 25 6.540 3.457 1.256 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.043 1.135 0.562 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.437 1.203 2.233 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.364 0.666 0.919 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.274 2.830 -1.141 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.564 2.438 -0.845 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.135 4.114 -0.674 1.00 1.09 H new ATOM 419 N ILE A 26 3.184 5.399 3.821 1.00 1.04 N ATOM 420 CA ILE A 26 2.049 5.911 4.627 1.00 1.01 C ATOM 421 C ILE A 26 1.686 7.265 4.039 1.00 1.05 C ATOM 422 O ILE A 26 0.546 7.654 4.024 1.00 1.02 O ATOM 423 CB ILE A 26 2.475 6.079 6.104 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.764 4.697 6.708 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.358 6.767 6.909 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.987 4.802 8.220 1.00 1.01 C ATOM 0 H ILE A 26 4.065 5.309 4.327 1.00 1.04 H new ATOM 0 HA ILE A 26 1.205 5.222 4.601 1.00 1.01 H new ATOM 0 HB ILE A 26 3.371 6.698 6.147 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.931 4.024 6.504 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.646 4.265 6.235 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.673 6.878 7.947 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.156 7.750 6.484 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.453 6.161 6.867 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.190 3.812 8.627 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.836 5.457 8.418 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.094 5.212 8.692 1.00 1.01 H new ATOM 438 N THR A 27 2.669 7.986 3.562 1.00 1.11 N ATOM 439 CA THR A 27 2.405 9.331 2.971 1.00 1.15 C ATOM 440 C THR A 27 1.577 9.195 1.676 1.00 1.12 C ATOM 441 O THR A 27 0.554 9.832 1.521 1.00 1.12 O ATOM 442 CB THR A 27 3.751 10.022 2.683 1.00 1.23 C ATOM 443 OG1 THR A 27 4.312 10.473 3.907 1.00 1.27 O ATOM 444 CG2 THR A 27 3.547 11.221 1.751 1.00 1.27 C ATOM 0 H THR A 27 3.648 7.698 3.557 1.00 1.11 H new ATOM 0 HA THR A 27 1.831 9.934 3.674 1.00 1.15 H new ATOM 0 HB THR A 27 4.420 9.309 2.201 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.170 10.912 3.731 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.507 11.699 1.557 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.114 10.881 0.810 1.00 1.27 H new ATOM 0 HG23 THR A 27 2.874 11.938 2.222 1.00 1.27 H new ATOM 452 N PHE A 28 2.005 8.380 0.745 1.00 1.10 N ATOM 453 CA PHE A 28 1.226 8.231 -0.531 1.00 1.07 C ATOM 454 C PHE A 28 -0.256 7.967 -0.194 1.00 1.01 C ATOM 455 O PHE A 28 -1.164 8.559 -0.772 1.00 1.02 O ATOM 456 CB PHE A 28 1.834 7.073 -1.368 1.00 1.05 C ATOM 457 CG PHE A 28 0.802 6.449 -2.288 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.249 7.200 -3.333 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.389 5.124 -2.085 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.716 6.629 -4.168 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.573 4.553 -2.926 1.00 0.96 C ATOM 462 CZ PHE A 28 -1.127 5.307 -3.966 1.00 1.00 C ATOM 0 H PHE A 28 2.852 7.814 0.808 1.00 1.10 H new ATOM 0 HA PHE A 28 1.283 9.145 -1.122 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.669 7.450 -1.959 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.235 6.311 -0.699 1.00 1.05 H new ATOM 0 HD1 PHE A 28 0.568 8.219 -3.494 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.814 4.544 -1.279 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -1.145 7.210 -4.971 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.887 3.531 -2.772 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.872 4.868 -4.613 1.00 1.00 H new ATOM 472 N VAL A 29 -0.517 7.094 0.739 1.00 0.97 N ATOM 473 CA VAL A 29 -1.936 6.820 1.093 1.00 0.92 C ATOM 474 C VAL A 29 -2.509 8.047 1.822 1.00 0.95 C ATOM 475 O VAL A 29 -3.673 8.370 1.688 1.00 0.94 O ATOM 476 CB VAL A 29 -2.004 5.540 1.961 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.230 5.563 2.891 1.00 0.81 C ATOM 478 CG2 VAL A 29 -2.079 4.305 1.044 1.00 0.85 C ATOM 0 H VAL A 29 0.180 6.566 1.264 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.538 6.646 0.201 1.00 0.92 H new ATOM 0 HB VAL A 29 -1.107 5.495 2.579 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.251 4.651 3.488 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.169 6.428 3.551 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -4.139 5.626 2.293 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -2.127 3.402 1.653 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -2.970 4.369 0.419 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -1.193 4.268 0.410 1.00 0.85 H new ATOM 488 N ASN A 30 -1.698 8.749 2.565 1.00 0.99 N ATOM 489 CA ASN A 30 -2.190 9.968 3.266 1.00 1.03 C ATOM 490 C ASN A 30 -2.622 10.967 2.199 1.00 1.06 C ATOM 491 O ASN A 30 -3.303 11.924 2.462 1.00 1.09 O ATOM 492 CB ASN A 30 -1.063 10.559 4.134 1.00 1.08 C ATOM 493 CG ASN A 30 -1.632 11.113 5.441 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.921 10.279 6.398 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.813 12.305 5.589 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.713 8.530 2.717 1.00 0.99 H new ATOM 0 HA ASN A 30 -3.029 9.730 3.920 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.321 9.791 4.350 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.552 11.352 3.588 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.584 12.953 4.835 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -2.194 12.658 6.467 1.00 1.06 H new ATOM 502 N LYS A 31 -2.215 10.728 0.994 1.00 1.07 N ATOM 503 CA LYS A 31 -2.570 11.632 -0.126 1.00 1.11 C ATOM 504 C LYS A 31 -3.985 11.282 -0.569 1.00 1.06 C ATOM 505 O LYS A 31 -4.883 12.109 -0.549 1.00 1.08 O ATOM 506 CB LYS A 31 -1.568 11.420 -1.285 1.00 1.13 C ATOM 507 CG LYS A 31 -1.225 12.760 -1.952 1.00 1.18 C ATOM 508 CD LYS A 31 -2.479 13.354 -2.598 1.00 1.19 C ATOM 509 CE LYS A 31 -2.143 14.722 -3.194 1.00 1.23 C ATOM 510 NZ LYS A 31 -3.267 15.176 -4.060 1.00 1.29 N ATOM 0 H LYS A 31 -1.639 9.928 0.730 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.526 12.678 0.179 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.659 10.952 -0.907 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.994 10.739 -2.022 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.823 13.452 -1.212 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.451 12.614 -2.706 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -2.851 12.687 -3.376 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -3.272 13.453 -1.856 1.00 1.19 H new ATOM 0 HE2 LYS A 31 -1.969 15.445 -2.397 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.223 14.661 -3.776 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 -3.039 16.106 -4.465 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 -3.413 14.490 -4.828 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 -4.135 15.249 -3.492 1.00 1.29 H new ATOM 524 N HIS A 32 -4.205 10.045 -0.933 1.00 1.01 N ATOM 525 CA HIS A 32 -5.556 9.645 -1.335 1.00 0.97 C ATOM 526 C HIS A 32 -6.490 9.975 -0.173 1.00 0.95 C ATOM 527 O HIS A 32 -7.654 10.242 -0.348 1.00 0.95 O ATOM 528 CB HIS A 32 -5.534 8.133 -1.655 1.00 0.91 C ATOM 529 CG HIS A 32 -6.151 7.314 -0.547 1.00 0.93 C ATOM 530 ND1 HIS A 32 -7.470 7.474 -0.171 1.00 0.89 N ATOM 531 CD2 HIS A 32 -5.659 6.303 0.236 1.00 0.98 C ATOM 532 CE1 HIS A 32 -7.729 6.579 0.798 1.00 0.93 C ATOM 533 NE2 HIS A 32 -6.657 5.838 1.085 1.00 0.98 N ATOM 0 H HIS A 32 -3.501 9.308 -0.964 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.905 10.170 -2.224 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -6.073 7.951 -2.585 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -4.505 7.811 -1.815 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -4.648 5.924 0.199 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -8.687 6.473 1.285 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -6.585 5.092 1.777 1.00 0.98 H new ATOM 541 N LEU A 33 -5.956 9.967 1.015 1.00 0.95 N ATOM 542 CA LEU A 33 -6.772 10.280 2.215 1.00 0.94 C ATOM 543 C LEU A 33 -6.810 11.787 2.409 1.00 1.01 C ATOM 544 O LEU A 33 -7.870 12.368 2.539 1.00 1.02 O ATOM 545 CB LEU A 33 -6.121 9.638 3.433 1.00 0.92 C ATOM 546 CG LEU A 33 -6.411 8.131 3.484 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.503 7.483 4.528 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.878 7.866 3.873 1.00 0.84 C ATOM 0 H LEU A 33 -4.977 9.754 1.206 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.785 9.898 2.088 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -5.044 9.804 3.403 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.492 10.114 4.341 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.226 7.709 2.496 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.703 6.412 4.570 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.460 7.647 4.255 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.697 7.927 5.504 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.058 6.791 3.902 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -8.077 8.294 4.855 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.538 8.325 3.137 1.00 0.84 H new ATOM 560 N ASN A 34 -5.663 12.433 2.442 1.00 1.05 N ATOM 561 CA ASN A 34 -5.662 13.921 2.640 1.00 1.12 C ATOM 562 C ASN A 34 -6.766 14.543 1.775 1.00 1.14 C ATOM 563 O ASN A 34 -7.249 15.622 2.056 1.00 1.18 O ATOM 564 CB ASN A 34 -4.304 14.519 2.245 1.00 1.18 C ATOM 565 CG ASN A 34 -3.302 14.344 3.391 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.622 13.765 4.410 1.00 1.26 O ATOM 567 ND2 ASN A 34 -2.094 14.823 3.266 1.00 1.29 N ATOM 0 H ASN A 34 -4.744 12.003 2.342 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.843 14.138 3.693 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.930 14.030 1.346 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -4.418 15.577 2.009 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -1.420 14.711 4.023 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -1.824 15.309 2.411 1.00 1.29 H new ATOM 574 N LYS A 35 -7.197 13.856 0.745 1.00 1.11 N ATOM 575 CA LYS A 35 -8.297 14.417 -0.088 1.00 1.13 C ATOM 576 C LYS A 35 -9.534 14.516 0.815 1.00 1.11 C ATOM 577 O LYS A 35 -10.085 15.578 1.027 1.00 1.16 O ATOM 578 CB LYS A 35 -8.567 13.475 -1.291 1.00 1.10 C ATOM 579 CG LYS A 35 -8.224 14.165 -2.627 1.00 0.97 C ATOM 580 CD LYS A 35 -6.695 14.200 -2.825 1.00 1.01 C ATOM 581 CE LYS A 35 -6.208 12.884 -3.461 1.00 1.10 C ATOM 582 NZ LYS A 35 -6.230 13.014 -4.946 1.00 1.15 N ATOM 0 H LYS A 35 -6.840 12.947 0.451 1.00 1.11 H new ATOM 0 HA LYS A 35 -8.039 15.399 -0.486 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.974 12.566 -1.185 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.615 13.174 -1.293 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.694 13.631 -3.453 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.623 15.179 -2.635 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.423 15.042 -3.462 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.201 14.353 -1.866 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.199 12.654 -3.120 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.846 12.058 -3.148 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.405 12.526 -5.349 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -7.101 12.586 -5.319 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -6.199 14.020 -5.207 1.00 1.15 H new ATOM 596 N LEU A 36 -9.946 13.408 1.372 1.00 1.04 N ATOM 597 CA LEU A 36 -11.117 13.413 2.294 1.00 1.02 C ATOM 598 C LEU A 36 -10.649 13.990 3.631 1.00 1.05 C ATOM 599 O LEU A 36 -11.346 13.968 4.622 1.00 1.03 O ATOM 600 CB LEU A 36 -11.594 11.972 2.486 1.00 0.95 C ATOM 601 CG LEU A 36 -13.010 11.932 3.087 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.035 12.540 2.105 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.378 10.470 3.378 1.00 0.89 C ATOM 0 H LEU A 36 -9.518 12.494 1.226 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.937 14.010 1.894 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.588 11.453 1.528 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.903 11.441 3.141 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.028 12.517 4.007 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.030 12.502 2.548 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.769 13.576 1.897 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.030 11.971 1.175 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.380 10.425 3.805 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.352 9.897 2.451 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -12.663 10.049 4.085 1.00 0.89 H new ATOM 615 N ASN A 37 -9.448 14.490 3.636 1.00 1.11 N ATOM 616 CA ASN A 37 -8.841 15.085 4.849 1.00 1.16 C ATOM 617 C ASN A 37 -8.898 14.113 6.023 1.00 1.11 C ATOM 618 O ASN A 37 -9.695 14.225 6.930 1.00 1.12 O ATOM 619 CB ASN A 37 -9.508 16.420 5.173 1.00 1.22 C ATOM 620 CG ASN A 37 -10.903 16.233 5.780 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.048 16.101 6.979 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.947 16.242 4.996 1.00 1.21 N ATOM 0 H ASN A 37 -8.842 14.510 2.816 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.787 15.282 4.655 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.882 16.979 5.869 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.585 17.017 4.264 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.882 16.138 5.390 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -11.828 16.353 3.989 1.00 1.21 H new ATOM 629 N LEU A 38 -8.013 13.162 5.999 1.00 1.06 N ATOM 630 CA LEU A 38 -7.929 12.148 7.096 1.00 1.02 C ATOM 631 C LEU A 38 -6.449 11.889 7.401 1.00 1.02 C ATOM 632 O LEU A 38 -5.613 12.746 7.192 1.00 1.06 O ATOM 633 CB LEU A 38 -8.622 10.856 6.658 1.00 0.98 C ATOM 634 CG LEU A 38 -10.148 11.039 6.677 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.803 9.799 6.060 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.656 11.229 8.126 1.00 1.02 C ATOM 0 H LEU A 38 -7.328 13.037 5.253 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.428 12.515 7.993 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.294 10.581 5.656 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.338 10.039 7.322 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.409 11.927 6.102 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.886 9.918 6.068 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.459 9.679 5.033 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.530 8.917 6.640 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.738 11.357 8.118 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.399 10.352 8.720 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.189 12.112 8.562 1.00 1.02 H new ATOM 648 N GLU A 39 -6.107 10.733 7.903 1.00 1.02 N ATOM 649 CA GLU A 39 -4.675 10.470 8.222 1.00 1.03 C ATOM 650 C GLU A 39 -4.447 8.977 8.501 1.00 0.98 C ATOM 651 O GLU A 39 -5.004 8.410 9.420 1.00 0.95 O ATOM 652 CB GLU A 39 -4.282 11.305 9.452 1.00 1.08 C ATOM 653 CG GLU A 39 -2.915 10.856 10.001 1.00 1.11 C ATOM 654 CD GLU A 39 -3.082 9.645 10.930 1.00 1.16 C ATOM 655 OE1 GLU A 39 -4.137 9.515 11.529 1.00 1.13 O ATOM 656 OE2 GLU A 39 -2.146 8.869 11.029 1.00 1.24 O ATOM 0 H GLU A 39 -6.750 9.967 8.104 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.057 10.751 7.369 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.243 12.361 9.183 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -5.042 11.201 10.226 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.251 10.600 9.175 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.447 11.677 10.544 1.00 1.11 H new ATOM 663 N VAL A 40 -3.612 8.349 7.716 1.00 0.98 N ATOM 664 CA VAL A 40 -3.306 6.897 7.922 1.00 0.94 C ATOM 665 C VAL A 40 -2.149 6.771 8.913 1.00 0.95 C ATOM 666 O VAL A 40 -1.396 7.702 9.116 1.00 0.99 O ATOM 667 CB VAL A 40 -2.911 6.269 6.579 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.845 7.143 5.886 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.368 4.848 6.800 1.00 0.89 C ATOM 0 H VAL A 40 -3.123 8.782 6.933 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.182 6.381 8.316 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.792 6.211 5.940 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.568 6.692 4.933 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.249 8.140 5.712 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.963 7.215 6.523 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.091 4.411 5.841 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.492 4.890 7.447 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.136 4.234 7.270 1.00 0.89 H new ATOM 679 N THR A 41 -2.005 5.625 9.535 1.00 0.93 N ATOM 680 CA THR A 41 -0.898 5.431 10.525 1.00 0.95 C ATOM 681 C THR A 41 -0.176 4.112 10.257 1.00 0.91 C ATOM 682 O THR A 41 0.972 3.951 10.623 1.00 0.96 O ATOM 683 CB THR A 41 -1.495 5.375 11.942 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.681 6.156 11.983 1.00 1.12 O ATOM 685 CG2 THR A 41 -0.490 5.919 12.964 1.00 1.20 C ATOM 0 H THR A 41 -2.608 4.814 9.399 1.00 0.93 H new ATOM 0 HA THR A 41 -0.195 6.259 10.434 1.00 0.95 H new ATOM 0 HB THR A 41 -1.725 4.339 12.190 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.487 7.062 11.663 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.925 5.874 13.962 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.419 5.317 12.937 1.00 1.20 H new ATOM 0 HG23 THR A 41 -0.248 6.953 12.721 1.00 1.20 H new ATOM 693 N GLU A 42 -0.842 3.150 9.660 1.00 0.86 N ATOM 694 CA GLU A 42 -0.181 1.830 9.422 1.00 0.83 C ATOM 695 C GLU A 42 -0.459 1.340 8.009 1.00 0.81 C ATOM 696 O GLU A 42 -1.439 0.670 7.764 1.00 0.88 O ATOM 697 CB GLU A 42 -0.732 0.808 10.418 1.00 0.78 C ATOM 698 CG GLU A 42 -0.338 1.214 11.839 1.00 0.77 C ATOM 699 CD GLU A 42 -0.578 0.038 12.788 1.00 0.78 C ATOM 700 OE1 GLU A 42 -0.099 -1.044 12.492 1.00 0.83 O ATOM 701 OE2 GLU A 42 -1.238 0.240 13.795 1.00 0.84 O ATOM 0 H GLU A 42 -1.805 3.222 9.331 1.00 0.86 H new ATOM 0 HA GLU A 42 0.895 1.947 9.552 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.817 0.750 10.333 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.341 -0.184 10.191 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.711 1.510 11.867 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.922 2.078 12.157 1.00 0.77 H new ATOM 708 N LEU A 43 0.407 1.626 7.077 1.00 0.80 N ATOM 709 CA LEU A 43 0.169 1.122 5.705 1.00 0.78 C ATOM 710 C LEU A 43 0.090 -0.405 5.807 1.00 0.74 C ATOM 711 O LEU A 43 -0.762 -1.045 5.229 1.00 0.70 O ATOM 712 CB LEU A 43 1.329 1.568 4.789 1.00 0.86 C ATOM 713 CG LEU A 43 0.971 1.457 3.288 1.00 0.83 C ATOM 714 CD1 LEU A 43 0.359 0.094 2.957 1.00 0.85 C ATOM 715 CD2 LEU A 43 -0.025 2.557 2.893 1.00 0.90 C ATOM 0 H LEU A 43 1.255 2.178 7.206 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.753 1.515 5.277 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.596 2.599 5.021 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.208 0.957 4.996 1.00 0.86 H new ATOM 0 HG LEU A 43 1.897 1.573 2.725 1.00 0.83 H new ATOM 0 HD11 LEU A 43 0.120 0.051 1.894 1.00 0.85 H new ATOM 0 HD12 LEU A 43 1.072 -0.694 3.201 1.00 0.85 H new ATOM 0 HD13 LEU A 43 -0.551 -0.047 3.540 1.00 0.85 H new ATOM 0 HD21 LEU A 43 -0.267 2.466 1.834 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.935 2.453 3.484 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.419 3.535 3.081 1.00 0.90 H new ATOM 727 N GLU A 44 0.981 -0.993 6.547 1.00 0.79 N ATOM 728 CA GLU A 44 0.972 -2.481 6.692 1.00 0.77 C ATOM 729 C GLU A 44 -0.462 -3.023 6.917 1.00 0.69 C ATOM 730 O GLU A 44 -0.988 -3.816 6.150 1.00 0.70 O ATOM 731 CB GLU A 44 1.851 -2.880 7.905 1.00 0.83 C ATOM 732 CG GLU A 44 2.699 -1.696 8.362 1.00 0.84 C ATOM 733 CD GLU A 44 3.589 -2.129 9.528 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.701 -3.324 9.749 1.00 1.11 O ATOM 735 OE2 GLU A 44 4.142 -1.260 10.181 1.00 1.14 O ATOM 0 H GLU A 44 1.719 -0.512 7.061 1.00 0.79 H new ATOM 0 HA GLU A 44 1.363 -2.912 5.770 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.218 -3.219 8.725 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.497 -3.715 7.635 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.312 -1.334 7.537 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.056 -0.871 8.668 1.00 0.84 H new ATOM 742 N THR A 45 -1.075 -2.624 7.988 1.00 0.65 N ATOM 743 CA THR A 45 -2.437 -3.135 8.312 1.00 0.60 C ATOM 744 C THR A 45 -3.501 -2.459 7.456 1.00 0.58 C ATOM 745 O THR A 45 -4.668 -2.779 7.549 1.00 0.58 O ATOM 746 CB THR A 45 -2.735 -2.863 9.788 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.761 -1.460 10.011 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.649 -3.499 10.655 1.00 0.64 C ATOM 0 H THR A 45 -0.692 -1.961 8.661 1.00 0.65 H new ATOM 0 HA THR A 45 -2.460 -4.205 8.106 1.00 0.60 H new ATOM 0 HB THR A 45 -3.702 -3.292 10.050 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.953 -1.282 10.955 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.862 -3.305 11.706 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.629 -4.575 10.482 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.680 -3.072 10.396 1.00 0.64 H new ATOM 756 N GLN A 46 -3.131 -1.541 6.612 1.00 0.59 N ATOM 757 CA GLN A 46 -4.160 -0.886 5.776 1.00 0.59 C ATOM 758 C GLN A 46 -4.533 -1.843 4.657 1.00 0.54 C ATOM 759 O GLN A 46 -5.556 -1.703 4.017 1.00 0.58 O ATOM 760 CB GLN A 46 -3.632 0.428 5.203 1.00 0.65 C ATOM 761 CG GLN A 46 -3.675 1.531 6.292 1.00 0.66 C ATOM 762 CD GLN A 46 -4.941 2.384 6.142 1.00 0.78 C ATOM 763 OE1 GLN A 46 -5.052 3.171 5.223 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.906 2.258 7.012 1.00 1.04 N ATOM 0 H GLN A 46 -2.173 -1.221 6.468 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.038 -0.651 6.378 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.610 0.296 4.847 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.233 0.728 4.344 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.652 1.075 7.282 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.791 2.164 6.212 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -5.814 1.598 7.784 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.752 2.820 6.920 1.00 1.04 H new ATOM 773 N PHE A 47 -3.719 -2.851 4.441 1.00 0.50 N ATOM 774 CA PHE A 47 -4.030 -3.854 3.401 1.00 0.49 C ATOM 775 C PHE A 47 -4.682 -5.008 4.119 1.00 0.46 C ATOM 776 O PHE A 47 -5.321 -5.852 3.528 1.00 0.49 O ATOM 777 CB PHE A 47 -2.742 -4.313 2.707 1.00 0.54 C ATOM 778 CG PHE A 47 -2.450 -3.417 1.520 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.145 -2.068 1.726 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.487 -3.934 0.219 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.876 -1.236 0.633 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.217 -3.103 -0.874 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.911 -1.754 -0.667 1.00 0.89 C ATOM 0 H PHE A 47 -2.850 -3.013 4.950 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.684 -3.445 2.631 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -1.909 -4.284 3.410 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -2.845 -5.347 2.377 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.117 -1.668 2.729 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.724 -4.975 0.059 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.641 -0.194 0.793 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.245 -3.503 -1.877 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.702 -1.112 -1.510 1.00 0.89 H new ATOM 793 N ALA A 48 -4.564 -5.010 5.414 1.00 0.42 N ATOM 794 CA ALA A 48 -5.214 -6.075 6.223 1.00 0.40 C ATOM 795 C ALA A 48 -6.711 -5.856 6.154 1.00 0.36 C ATOM 796 O ALA A 48 -7.452 -6.143 7.073 1.00 0.36 O ATOM 797 CB ALA A 48 -4.736 -6.010 7.676 1.00 0.42 C ATOM 0 H ALA A 48 -4.043 -4.317 5.951 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.954 -7.058 5.832 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.221 -6.796 8.254 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.655 -6.149 7.710 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.990 -5.038 8.100 1.00 0.42 H new ATOM 803 N ASP A 49 -7.145 -5.335 5.050 1.00 0.34 N ATOM 804 CA ASP A 49 -8.585 -5.061 4.856 1.00 0.32 C ATOM 805 C ASP A 49 -8.827 -4.661 3.395 1.00 0.31 C ATOM 806 O ASP A 49 -9.911 -4.807 2.871 1.00 0.31 O ATOM 807 CB ASP A 49 -8.990 -3.920 5.797 1.00 0.32 C ATOM 808 CG ASP A 49 -8.439 -2.586 5.280 1.00 0.33 C ATOM 809 OD1 ASP A 49 -9.032 -2.037 4.366 1.00 0.34 O ATOM 810 OD2 ASP A 49 -7.434 -2.139 5.807 1.00 0.36 O ATOM 0 H ASP A 49 -6.551 -5.083 4.260 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.181 -5.946 5.080 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -10.076 -3.869 5.872 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.610 -4.114 6.800 1.00 0.32 H new ATOM 815 N GLY A 50 -7.814 -4.162 2.734 1.00 0.32 N ATOM 816 CA GLY A 50 -7.971 -3.746 1.300 1.00 0.33 C ATOM 817 C GLY A 50 -9.103 -2.705 1.136 1.00 0.33 C ATOM 818 O GLY A 50 -9.235 -2.081 0.095 1.00 0.34 O ATOM 0 H GLY A 50 -6.881 -4.023 3.123 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.033 -3.326 0.936 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.188 -4.621 0.687 1.00 0.33 H new ATOM 822 N VAL A 51 -9.923 -2.511 2.138 1.00 0.33 N ATOM 823 CA VAL A 51 -11.035 -1.519 2.015 1.00 0.36 C ATOM 824 C VAL A 51 -10.457 -0.128 1.787 1.00 0.40 C ATOM 825 O VAL A 51 -10.695 0.496 0.772 1.00 0.42 O ATOM 826 CB VAL A 51 -11.825 -1.504 3.321 1.00 0.37 C ATOM 827 CG1 VAL A 51 -13.067 -0.613 3.189 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.264 -2.927 3.674 1.00 0.36 C ATOM 0 H VAL A 51 -9.871 -2.995 3.034 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.678 -1.794 1.179 1.00 0.36 H new ATOM 0 HB VAL A 51 -11.184 -1.107 4.108 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -13.618 -0.615 4.130 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.761 0.405 2.950 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.707 -0.996 2.394 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.828 -2.913 4.607 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.893 -3.322 2.876 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.385 -3.561 3.791 1.00 0.36 H new ATOM 838 N TYR A 52 -9.694 0.367 2.723 1.00 0.41 N ATOM 839 CA TYR A 52 -9.101 1.722 2.556 1.00 0.47 C ATOM 840 C TYR A 52 -8.460 1.807 1.174 1.00 0.47 C ATOM 841 O TYR A 52 -8.151 2.874 0.678 1.00 0.51 O ATOM 842 CB TYR A 52 -8.037 1.954 3.632 1.00 0.49 C ATOM 843 CG TYR A 52 -8.703 2.071 4.985 1.00 0.51 C ATOM 844 CD1 TYR A 52 -9.414 3.231 5.318 1.00 0.48 C ATOM 845 CD2 TYR A 52 -8.610 1.021 5.908 1.00 0.57 C ATOM 846 CE1 TYR A 52 -10.031 3.341 6.570 1.00 0.51 C ATOM 847 CE2 TYR A 52 -9.227 1.131 7.160 1.00 0.60 C ATOM 848 CZ TYR A 52 -9.937 2.291 7.491 1.00 0.57 C ATOM 849 OH TYR A 52 -10.545 2.399 8.726 1.00 0.60 O ATOM 0 H TYR A 52 -9.457 -0.108 3.594 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.876 2.482 2.654 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -7.324 1.130 3.636 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.475 2.861 3.412 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -9.486 4.042 4.608 1.00 0.48 H new ATOM 0 HD2 TYR A 52 -8.062 0.126 5.653 1.00 0.57 H new ATOM 0 HE1 TYR A 52 -10.579 4.236 6.825 1.00 0.51 H new ATOM 0 HE2 TYR A 52 -9.155 0.321 7.870 1.00 0.60 H new ATOM 0 HH TYR A 52 -10.383 1.582 9.243 1.00 0.60 H new ATOM 859 N LEU A 53 -8.260 0.680 0.545 1.00 0.43 N ATOM 860 CA LEU A 53 -7.632 0.692 -0.811 1.00 0.44 C ATOM 861 C LEU A 53 -8.675 1.099 -1.860 1.00 0.45 C ATOM 862 O LEU A 53 -8.493 2.061 -2.576 1.00 0.50 O ATOM 863 CB LEU A 53 -7.039 -0.703 -1.130 1.00 0.41 C ATOM 864 CG LEU A 53 -5.593 -0.561 -1.655 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.633 -0.341 -0.477 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.191 -1.826 -2.423 1.00 0.46 C ATOM 0 H LEU A 53 -8.502 -0.243 0.907 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.821 1.420 -0.831 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -7.049 -1.324 -0.234 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.656 -1.207 -1.874 1.00 0.41 H new ATOM 0 HG LEU A 53 -5.539 0.296 -2.327 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.614 -0.241 -0.852 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -4.914 0.567 0.057 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.688 -1.192 0.201 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.170 -1.720 -2.791 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.250 -2.689 -1.759 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -5.867 -1.970 -3.266 1.00 0.46 H new ATOM 878 N VAL A 54 -9.778 0.404 -1.966 1.00 0.43 N ATOM 879 CA VAL A 54 -10.789 0.834 -2.981 1.00 0.46 C ATOM 880 C VAL A 54 -11.077 2.321 -2.737 1.00 0.51 C ATOM 881 O VAL A 54 -11.375 3.089 -3.641 1.00 0.55 O ATOM 882 CB VAL A 54 -12.075 0.016 -2.832 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.994 0.293 -4.022 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.731 -1.475 -2.794 1.00 0.41 C ATOM 0 H VAL A 54 -10.020 -0.418 -1.413 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.409 0.675 -3.990 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.579 0.297 -1.907 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.910 -0.289 -3.917 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -13.240 1.355 -4.053 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -12.488 0.011 -4.946 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -12.646 -2.057 -2.688 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -11.228 -1.756 -3.719 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -11.074 -1.675 -1.948 1.00 0.41 H new ATOM 894 N LEU A 55 -10.938 2.733 -1.506 1.00 0.52 N ATOM 895 CA LEU A 55 -11.149 4.159 -1.160 1.00 0.58 C ATOM 896 C LEU A 55 -10.095 4.981 -1.923 1.00 0.62 C ATOM 897 O LEU A 55 -10.400 5.985 -2.528 1.00 0.66 O ATOM 898 CB LEU A 55 -10.989 4.316 0.371 1.00 0.59 C ATOM 899 CG LEU A 55 -12.103 5.195 0.961 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.040 5.137 2.488 1.00 0.58 C ATOM 901 CD2 LEU A 55 -11.918 6.641 0.504 1.00 0.67 C ATOM 0 H LEU A 55 -10.685 2.133 -0.721 1.00 0.52 H new ATOM 0 HA LEU A 55 -12.144 4.508 -1.438 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -11.009 3.334 0.844 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -10.018 4.758 0.594 1.00 0.59 H new ATOM 0 HG LEU A 55 -13.070 4.828 0.617 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.829 5.760 2.909 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -12.175 4.107 2.819 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.070 5.502 2.826 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -12.710 7.260 0.925 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -10.950 7.009 0.845 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -11.961 6.687 -0.584 1.00 0.67 H new ATOM 913 N LEU A 56 -8.857 4.538 -1.920 1.00 0.62 N ATOM 914 CA LEU A 56 -7.789 5.274 -2.672 1.00 0.66 C ATOM 915 C LEU A 56 -8.283 5.492 -4.098 1.00 0.67 C ATOM 916 O LEU A 56 -8.327 6.600 -4.583 1.00 0.72 O ATOM 917 CB LEU A 56 -6.466 4.441 -2.622 1.00 0.65 C ATOM 918 CG LEU A 56 -5.677 4.439 -3.952 1.00 0.69 C ATOM 919 CD1 LEU A 56 -5.135 5.839 -4.255 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.494 3.478 -3.814 1.00 0.66 C ATOM 0 H LEU A 56 -8.542 3.701 -1.430 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.578 6.247 -2.228 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.828 4.838 -1.833 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.705 3.413 -2.351 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.340 4.130 -4.760 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.582 5.820 -5.194 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.965 6.541 -4.337 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.471 6.154 -3.450 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.926 3.464 -4.744 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.849 3.809 -3.000 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.863 2.475 -3.599 1.00 0.66 H new ATOM 932 N MET A 57 -8.653 4.444 -4.766 1.00 0.62 N ATOM 933 CA MET A 57 -9.139 4.584 -6.169 1.00 0.63 C ATOM 934 C MET A 57 -10.130 5.749 -6.269 1.00 0.68 C ATOM 935 O MET A 57 -10.148 6.480 -7.241 1.00 0.72 O ATOM 936 CB MET A 57 -9.831 3.287 -6.602 1.00 0.58 C ATOM 937 CG MET A 57 -8.779 2.210 -6.882 1.00 0.55 C ATOM 938 SD MET A 57 -7.915 1.792 -5.347 1.00 0.60 S ATOM 939 CE MET A 57 -6.459 1.031 -6.105 1.00 0.57 C ATOM 0 H MET A 57 -8.642 3.490 -4.404 1.00 0.62 H new ATOM 0 HA MET A 57 -8.289 4.782 -6.822 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.513 2.949 -5.822 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.431 3.464 -7.495 1.00 0.58 H new ATOM 0 HG2 MET A 57 -9.255 1.321 -7.297 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.067 2.567 -7.626 1.00 0.55 H new ATOM 0 HE1 MET A 57 -5.777 0.694 -5.325 1.00 0.57 H new ATOM 0 HE2 MET A 57 -6.768 0.179 -6.711 1.00 0.57 H new ATOM 0 HE3 MET A 57 -5.954 1.761 -6.737 1.00 0.57 H new ATOM 949 N GLY A 58 -10.973 5.916 -5.285 1.00 0.67 N ATOM 950 CA GLY A 58 -11.979 7.022 -5.355 1.00 0.73 C ATOM 951 C GLY A 58 -11.367 8.395 -5.058 1.00 0.79 C ATOM 952 O GLY A 58 -11.427 9.294 -5.872 1.00 0.84 O ATOM 0 H GLY A 58 -11.011 5.342 -4.443 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.429 7.036 -6.347 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.781 6.824 -4.644 1.00 0.73 H new ATOM 956 N LEU A 59 -10.808 8.577 -3.903 1.00 0.79 N ATOM 957 CA LEU A 59 -10.225 9.909 -3.559 1.00 0.86 C ATOM 958 C LEU A 59 -9.222 10.318 -4.623 1.00 0.88 C ATOM 959 O LEU A 59 -8.852 11.470 -4.739 1.00 0.94 O ATOM 960 CB LEU A 59 -9.567 9.850 -2.171 1.00 0.86 C ATOM 961 CG LEU A 59 -10.536 9.180 -1.161 1.00 0.82 C ATOM 962 CD1 LEU A 59 -10.105 9.473 0.287 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.973 9.701 -1.353 1.00 0.87 C ATOM 0 H LEU A 59 -10.726 7.866 -3.177 1.00 0.79 H new ATOM 0 HA LEU A 59 -11.017 10.658 -3.527 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.635 9.287 -2.223 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -9.314 10.856 -1.835 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.504 8.106 -1.346 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.799 8.993 0.977 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -9.100 9.084 0.453 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -10.110 10.550 0.457 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.634 9.217 -0.634 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.993 10.779 -1.196 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -12.310 9.475 -2.365 1.00 0.87 H new ATOM 975 N LEU A 60 -8.798 9.388 -5.413 1.00 0.84 N ATOM 976 CA LEU A 60 -7.833 9.716 -6.498 1.00 0.87 C ATOM 977 C LEU A 60 -8.629 10.294 -7.668 1.00 0.91 C ATOM 978 O LEU A 60 -8.326 11.352 -8.183 1.00 0.96 O ATOM 979 CB LEU A 60 -7.094 8.438 -6.935 1.00 0.82 C ATOM 980 CG LEU A 60 -5.717 8.783 -7.533 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.880 9.822 -8.648 1.00 0.83 C ATOM 982 CD2 LEU A 60 -4.769 9.331 -6.440 1.00 0.91 C ATOM 0 H LEU A 60 -9.075 8.408 -5.360 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.093 10.438 -6.154 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.969 7.774 -6.080 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.691 7.900 -7.671 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.281 7.874 -7.946 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -4.903 10.062 -9.067 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -6.521 9.418 -9.431 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.332 10.726 -8.240 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -3.802 9.569 -6.883 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -5.199 10.232 -6.004 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -4.637 8.579 -5.662 1.00 0.91 H new ATOM 994 N GLU A 61 -9.657 9.605 -8.080 1.00 0.87 N ATOM 995 CA GLU A 61 -10.489 10.107 -9.205 1.00 0.91 C ATOM 996 C GLU A 61 -11.462 11.167 -8.680 1.00 0.96 C ATOM 997 O GLU A 61 -12.168 11.802 -9.438 1.00 1.00 O ATOM 998 CB GLU A 61 -11.277 8.944 -9.813 1.00 0.86 C ATOM 999 CG GLU A 61 -10.312 7.822 -10.206 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.110 6.591 -10.642 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -11.911 6.119 -9.853 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -10.905 6.141 -11.757 1.00 0.77 O ATOM 0 H GLU A 61 -9.956 8.714 -7.684 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.847 10.548 -9.968 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.010 8.573 -9.096 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -11.831 9.284 -10.688 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.663 8.154 -11.017 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.667 7.571 -9.364 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.507 11.366 -7.387 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.439 12.385 -6.827 1.00 1.01 C ATOM 1011 C GLY A 62 -13.857 11.823 -6.823 1.00 1.00 C ATOM 1012 O GLY A 62 -14.771 12.403 -7.374 1.00 1.03 O ATOM 0 H GLY A 62 -10.941 10.869 -6.700 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -12.138 12.652 -5.814 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.399 13.297 -7.422 1.00 1.01 H new ATOM 1207 N PRO A 74 -14.189 -7.252 5.844 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.285 -8.354 6.226 1.00 0.35 C ATOM 1209 C PRO A 74 -13.579 -8.775 7.673 1.00 0.35 C ATOM 1210 O PRO A 74 -13.589 -7.957 8.571 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.856 -7.779 6.076 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.993 -6.314 5.566 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.502 -6.009 5.421 1.00 0.47 C ATOM 0 HA PRO A 74 -13.411 -9.243 5.608 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.330 -7.805 7.030 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.274 -8.376 5.374 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.527 -5.620 6.266 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.484 -6.192 4.610 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.795 -5.165 6.045 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.755 -5.749 4.393 1.00 0.47 H new ATOM 1221 N ASP A 75 -13.822 -10.045 7.898 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.125 -10.535 9.284 1.00 0.38 C ATOM 1223 C ASP A 75 -12.979 -11.430 9.757 1.00 0.36 C ATOM 1224 O ASP A 75 -12.540 -11.347 10.888 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.452 -11.333 9.252 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.349 -10.938 10.435 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.755 -9.789 10.487 1.00 1.34 O ATOM 1228 OD2 ASP A 75 -16.613 -11.793 11.264 1.00 0.82 O ATOM 0 H ASP A 75 -13.824 -10.768 7.178 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.227 -9.696 9.972 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -15.974 -11.144 8.314 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.241 -12.402 9.290 1.00 0.46 H new ATOM 1233 N SER A 76 -12.499 -12.286 8.894 1.00 0.38 N ATOM 1234 CA SER A 76 -11.381 -13.206 9.261 1.00 0.41 C ATOM 1235 C SER A 76 -10.209 -12.990 8.304 1.00 0.39 C ATOM 1236 O SER A 76 -10.182 -12.055 7.528 1.00 0.37 O ATOM 1237 CB SER A 76 -11.866 -14.655 9.171 1.00 0.51 C ATOM 1238 OG SER A 76 -12.708 -14.802 8.040 1.00 0.54 O ATOM 0 H SER A 76 -12.838 -12.388 7.938 1.00 0.38 H new ATOM 0 HA SER A 76 -11.054 -12.999 10.280 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.014 -15.331 9.094 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.407 -14.926 10.078 1.00 0.51 H new ATOM 0 HG SER A 76 -13.535 -14.295 8.180 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.231 -13.840 8.382 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.031 -13.701 7.517 1.00 0.44 C ATOM 1246 C PHE A 77 -8.388 -13.898 6.067 1.00 0.48 C ATOM 1247 O PHE A 77 -8.192 -13.039 5.259 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.022 -14.774 7.933 1.00 0.50 C ATOM 1249 CG PHE A 77 -5.810 -14.797 7.014 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.096 -13.620 6.739 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.384 -16.013 6.458 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -3.960 -13.663 5.909 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.257 -16.053 5.629 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.546 -14.880 5.357 1.00 0.90 C ATOM 0 H PHE A 77 -9.210 -14.638 9.017 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.614 -12.701 7.634 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.698 -14.590 8.957 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.505 -15.751 7.922 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.418 -12.681 7.164 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -5.928 -16.922 6.671 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.409 -12.758 5.699 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -3.936 -16.990 5.199 1.00 0.87 H new ATOM 0 HZ PHE A 77 -2.675 -14.914 4.719 1.00 0.90 H new ATOM 1264 N GLU A 78 -8.903 -15.019 5.739 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.264 -15.287 4.318 1.00 0.56 C ATOM 1266 C GLU A 78 -10.049 -14.106 3.744 1.00 0.53 C ATOM 1267 O GLU A 78 -9.859 -13.720 2.611 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.105 -16.586 4.260 1.00 0.63 C ATOM 1269 CG GLU A 78 -9.455 -17.607 3.320 1.00 1.05 C ATOM 1270 CD GLU A 78 -10.306 -18.877 3.274 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.362 -18.836 2.665 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -9.888 -19.868 3.849 1.00 1.04 O ATOM 0 H GLU A 78 -9.099 -15.781 6.388 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.362 -15.412 3.719 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.197 -17.011 5.260 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.114 -16.358 3.916 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.359 -17.185 2.319 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -8.448 -17.844 3.664 1.00 1.05 H new ATOM 1279 N GLN A 79 -10.926 -13.538 4.507 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.720 -12.409 4.009 1.00 0.45 C ATOM 1281 C GLN A 79 -10.811 -11.215 3.728 1.00 0.40 C ATOM 1282 O GLN A 79 -11.010 -10.485 2.777 1.00 0.41 O ATOM 1283 CB GLN A 79 -12.744 -12.096 5.084 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.507 -13.382 5.409 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.632 -13.081 6.397 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -14.730 -13.709 7.431 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.494 -12.142 6.118 1.00 0.45 N ATOM 0 H GLN A 79 -11.126 -13.816 5.468 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.221 -12.647 3.071 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.252 -11.711 5.977 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.431 -11.323 4.740 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.918 -13.812 4.496 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.827 -14.122 5.832 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -15.411 -11.615 5.249 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.251 -11.935 6.769 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.798 -11.024 4.521 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.870 -9.894 4.260 1.00 0.38 C ATOM 1298 C LYS A 80 -8.003 -10.264 3.054 1.00 0.39 C ATOM 1299 O LYS A 80 -7.838 -9.495 2.129 1.00 0.40 O ATOM 1300 CB LYS A 80 -7.980 -9.669 5.485 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.785 -8.973 6.584 1.00 0.50 C ATOM 1302 CD LYS A 80 -8.005 -9.030 7.899 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.854 -8.439 9.026 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.199 -8.709 10.337 1.00 1.03 N ATOM 0 H LYS A 80 -9.573 -11.598 5.334 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.429 -8.980 4.059 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.597 -10.623 5.849 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.116 -9.062 5.213 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -8.978 -7.936 6.308 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.754 -9.457 6.702 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.740 -10.061 8.132 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.072 -8.475 7.804 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.973 -7.365 8.881 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.853 -8.875 9.010 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.776 -8.307 11.103 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.108 -9.736 10.475 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.255 -8.273 10.350 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.458 -11.451 3.065 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.608 -11.914 1.936 1.00 0.47 C ATOM 1320 C VAL A 81 -7.378 -11.753 0.634 1.00 0.45 C ATOM 1321 O VAL A 81 -6.802 -11.636 -0.422 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.267 -13.393 2.131 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.351 -13.872 0.999 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.556 -13.580 3.472 1.00 0.56 C ATOM 0 H VAL A 81 -7.569 -12.127 3.821 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.691 -11.325 1.903 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.188 -13.976 2.119 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.113 -14.926 1.145 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -5.857 -13.744 0.042 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.431 -13.288 1.004 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.313 -14.633 3.611 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.639 -12.991 3.483 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.209 -13.249 4.279 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.679 -11.770 0.700 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.491 -11.632 -0.544 1.00 0.44 C ATOM 1336 C LEU A 82 -9.631 -10.165 -0.904 1.00 0.38 C ATOM 1337 O LEU A 82 -9.576 -9.796 -2.057 1.00 0.38 O ATOM 1338 CB LEU A 82 -10.877 -12.250 -0.326 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.597 -12.442 -1.677 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.160 -13.759 -2.332 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.112 -12.482 -1.451 1.00 0.54 C ATOM 0 H LEU A 82 -9.217 -11.873 1.560 1.00 0.44 H new ATOM 0 HA LEU A 82 -8.991 -12.153 -1.361 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -10.779 -13.210 0.181 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.472 -11.606 0.322 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.337 -11.609 -2.330 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -11.676 -13.881 -3.284 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.084 -13.741 -2.503 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.409 -14.592 -1.675 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.619 -12.618 -2.406 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.359 -13.311 -0.788 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.437 -11.546 -0.998 1.00 0.54 H new ATOM 1353 N ASN A 83 -9.800 -9.318 0.057 1.00 0.35 N ATOM 1354 CA ASN A 83 -9.921 -7.882 -0.271 1.00 0.32 C ATOM 1355 C ASN A 83 -8.614 -7.445 -0.948 1.00 0.31 C ATOM 1356 O ASN A 83 -8.597 -6.565 -1.789 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.172 -7.081 1.029 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.291 -6.054 0.813 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.050 -4.863 0.804 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.512 -6.476 0.634 1.00 0.36 N ATOM 0 H ASN A 83 -9.859 -9.553 1.048 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.758 -7.698 -0.945 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.444 -7.761 1.837 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.257 -6.573 1.334 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.267 -5.806 0.486 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.712 -7.476 0.642 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.516 -8.075 -0.598 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.210 -7.708 -1.235 1.00 0.37 C ATOM 1369 C VAL A 84 -6.014 -8.506 -2.510 1.00 0.39 C ATOM 1370 O VAL A 84 -5.387 -8.052 -3.427 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.029 -7.974 -0.301 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.756 -7.421 -0.948 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.272 -7.276 1.045 1.00 0.40 C ATOM 0 H VAL A 84 -7.468 -8.821 0.095 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.244 -6.641 -1.456 1.00 0.37 H new ATOM 0 HB VAL A 84 -4.921 -9.045 -0.131 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -2.905 -7.604 -0.292 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.590 -7.916 -1.905 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -3.866 -6.349 -1.109 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.430 -7.466 1.711 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.373 -6.203 0.885 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.186 -7.663 1.496 1.00 0.40 H new ATOM 1383 N SER A 85 -6.539 -9.690 -2.584 1.00 0.41 N ATOM 1384 CA SER A 85 -6.369 -10.479 -3.829 1.00 0.46 C ATOM 1385 C SER A 85 -7.125 -9.740 -4.917 1.00 0.42 C ATOM 1386 O SER A 85 -6.821 -9.809 -6.092 1.00 0.45 O ATOM 1387 CB SER A 85 -6.955 -11.880 -3.647 1.00 0.50 C ATOM 1388 OG SER A 85 -6.301 -12.523 -2.560 1.00 0.53 O ATOM 0 H SER A 85 -7.074 -10.144 -1.844 1.00 0.41 H new ATOM 0 HA SER A 85 -5.315 -10.588 -4.084 1.00 0.46 H new ATOM 0 HB2 SER A 85 -8.026 -11.817 -3.457 1.00 0.50 H new ATOM 0 HB3 SER A 85 -6.827 -12.462 -4.560 1.00 0.50 H new ATOM 0 HG SER A 85 -6.563 -12.093 -1.720 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.111 -9.015 -4.502 1.00 0.38 N ATOM 1395 CA PHE A 86 -8.933 -8.233 -5.450 1.00 0.36 C ATOM 1396 C PHE A 86 -8.147 -6.999 -5.884 1.00 0.34 C ATOM 1397 O PHE A 86 -7.930 -6.749 -7.047 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.211 -7.811 -4.730 1.00 0.35 C ATOM 1399 CG PHE A 86 -10.943 -6.725 -5.489 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -10.945 -6.706 -6.890 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -11.642 -5.745 -4.777 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -11.648 -5.707 -7.574 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -12.340 -4.743 -5.461 1.00 0.32 C ATOM 1404 CZ PHE A 86 -12.345 -4.725 -6.859 1.00 0.32 C ATOM 0 H PHE A 86 -8.389 -8.929 -3.524 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.182 -8.824 -6.331 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -10.864 -8.675 -4.609 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -9.965 -7.455 -3.730 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -10.405 -7.461 -7.442 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -11.643 -5.761 -3.697 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -11.653 -5.694 -8.654 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -12.875 -3.984 -4.909 1.00 0.32 H new ATOM 0 HZ PHE A 86 -12.886 -3.954 -7.387 1.00 0.32 H new ATOM 1414 N ALA A 87 -7.704 -6.229 -4.948 1.00 0.32 N ATOM 1415 CA ALA A 87 -6.912 -5.024 -5.308 1.00 0.33 C ATOM 1416 C ALA A 87 -5.743 -5.491 -6.176 1.00 0.38 C ATOM 1417 O ALA A 87 -5.309 -4.819 -7.086 1.00 0.39 O ATOM 1418 CB ALA A 87 -6.388 -4.360 -4.025 1.00 0.35 C ATOM 0 H ALA A 87 -7.852 -6.375 -3.949 1.00 0.32 H new ATOM 0 HA ALA A 87 -7.520 -4.298 -5.849 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -5.806 -3.475 -4.285 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -7.229 -4.069 -3.396 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -5.756 -5.064 -3.483 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.258 -6.664 -5.893 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.141 -7.243 -6.657 1.00 0.48 C ATOM 1426 C PHE A 88 -4.671 -7.658 -8.010 1.00 0.48 C ATOM 1427 O PHE A 88 -3.933 -7.822 -8.951 1.00 0.53 O ATOM 1428 CB PHE A 88 -3.627 -8.468 -5.900 1.00 0.52 C ATOM 1429 CG PHE A 88 -2.667 -9.263 -6.755 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.163 -10.080 -7.776 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.289 -9.193 -6.522 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.282 -10.827 -8.567 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.407 -9.939 -7.312 1.00 0.73 C ATOM 1434 CZ PHE A 88 -0.904 -10.756 -8.335 1.00 0.74 C ATOM 0 H PHE A 88 -5.605 -7.257 -5.140 1.00 0.41 H new ATOM 0 HA PHE A 88 -3.329 -6.527 -6.782 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.129 -8.152 -4.983 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.466 -9.098 -5.606 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.227 -10.135 -7.954 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -0.906 -8.563 -5.733 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.666 -11.457 -9.356 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.657 -9.885 -7.133 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.223 -11.331 -8.945 1.00 0.74 H new ATOM 1444 N GLU A 89 -5.953 -7.862 -8.111 1.00 0.44 N ATOM 1445 CA GLU A 89 -6.516 -8.291 -9.420 1.00 0.46 C ATOM 1446 C GLU A 89 -6.635 -7.064 -10.328 1.00 0.43 C ATOM 1447 O GLU A 89 -6.211 -7.079 -11.469 1.00 0.47 O ATOM 1448 CB GLU A 89 -7.885 -8.957 -9.184 1.00 0.46 C ATOM 1449 CG GLU A 89 -7.690 -10.457 -8.931 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.513 -11.189 -10.265 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.457 -11.204 -11.039 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -6.439 -11.723 -10.488 1.00 0.60 O ATOM 0 H GLU A 89 -6.628 -7.752 -7.355 1.00 0.44 H new ATOM 0 HA GLU A 89 -5.866 -9.018 -9.906 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.383 -8.496 -8.331 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -8.529 -8.805 -10.050 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -6.817 -10.618 -8.299 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.550 -10.860 -8.396 1.00 0.51 H new ATOM 1459 N LEU A 90 -7.166 -5.986 -9.830 1.00 0.38 N ATOM 1460 CA LEU A 90 -7.262 -4.771 -10.677 1.00 0.37 C ATOM 1461 C LEU A 90 -5.863 -4.209 -10.870 1.00 0.41 C ATOM 1462 O LEU A 90 -5.619 -3.420 -11.760 1.00 0.42 O ATOM 1463 CB LEU A 90 -8.131 -3.710 -9.997 1.00 0.34 C ATOM 1464 CG LEU A 90 -9.523 -4.273 -9.691 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -10.382 -3.169 -9.055 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -10.188 -4.768 -10.987 1.00 0.36 C ATOM 0 H LEU A 90 -7.534 -5.894 -8.883 1.00 0.38 H new ATOM 0 HA LEU A 90 -7.712 -5.034 -11.634 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -7.655 -3.379 -9.074 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -8.219 -2.836 -10.642 1.00 0.34 H new ATOM 0 HG LEU A 90 -9.432 -5.112 -9.001 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -11.374 -3.562 -8.834 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -9.913 -2.829 -8.132 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -10.469 -2.332 -9.747 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -11.177 -5.166 -10.759 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -10.283 -3.938 -11.687 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -9.576 -5.551 -11.434 1.00 0.36 H new ATOM 1478 N MET A 91 -4.932 -4.609 -10.047 1.00 0.43 N ATOM 1479 CA MET A 91 -3.544 -4.076 -10.204 1.00 0.49 C ATOM 1480 C MET A 91 -2.806 -4.915 -11.232 1.00 0.54 C ATOM 1481 O MET A 91 -2.180 -4.397 -12.136 1.00 0.58 O ATOM 1482 CB MET A 91 -2.804 -4.122 -8.870 1.00 0.52 C ATOM 1483 CG MET A 91 -3.349 -3.040 -7.926 1.00 0.48 C ATOM 1484 SD MET A 91 -2.500 -1.474 -8.251 1.00 0.55 S ATOM 1485 CE MET A 91 -3.822 -0.378 -7.681 1.00 0.60 C ATOM 0 H MET A 91 -5.066 -5.271 -9.283 1.00 0.43 H new ATOM 0 HA MET A 91 -3.591 -3.039 -10.537 1.00 0.49 H new ATOM 0 HB2 MET A 91 -2.921 -5.105 -8.414 1.00 0.52 H new ATOM 0 HB3 MET A 91 -1.737 -3.970 -9.032 1.00 0.52 H new ATOM 0 HG2 MET A 91 -4.423 -2.921 -8.072 1.00 0.48 H new ATOM 0 HG3 MET A 91 -3.200 -3.339 -6.888 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.508 0.660 -7.793 1.00 0.60 H new ATOM 0 HE2 MET A 91 -4.720 -0.551 -8.274 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.036 -0.581 -6.632 1.00 0.60 H new ATOM 1495 N GLN A 92 -2.889 -6.209 -11.125 1.00 0.56 N ATOM 1496 CA GLN A 92 -2.204 -7.063 -12.126 1.00 0.62 C ATOM 1497 C GLN A 92 -2.724 -6.644 -13.500 1.00 0.61 C ATOM 1498 O GLN A 92 -2.037 -6.737 -14.498 1.00 0.69 O ATOM 1499 CB GLN A 92 -2.486 -8.558 -11.837 1.00 0.64 C ATOM 1500 CG GLN A 92 -3.766 -9.038 -12.544 1.00 0.66 C ATOM 1501 CD GLN A 92 -3.459 -9.378 -14.006 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -3.817 -8.640 -14.902 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -2.806 -10.473 -14.285 1.00 0.67 N ATOM 0 H GLN A 92 -3.397 -6.708 -10.394 1.00 0.56 H new ATOM 0 HA GLN A 92 -1.122 -6.936 -12.084 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -1.639 -9.159 -12.168 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -2.584 -8.710 -10.762 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -4.166 -9.914 -12.034 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -4.531 -8.263 -12.495 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -2.505 -11.093 -13.533 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -2.596 -10.709 -15.255 1.00 0.67 H new ATOM 1512 N ASP A 93 -3.938 -6.148 -13.543 1.00 0.54 N ATOM 1513 CA ASP A 93 -4.511 -5.684 -14.836 1.00 0.54 C ATOM 1514 C ASP A 93 -4.175 -4.205 -14.995 1.00 0.55 C ATOM 1515 O ASP A 93 -3.619 -3.778 -15.987 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.039 -5.883 -14.803 1.00 0.50 C ATOM 1517 CG ASP A 93 -6.558 -6.268 -16.194 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -6.693 -5.380 -17.020 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -6.810 -7.442 -16.407 1.00 0.80 O ATOM 0 H ASP A 93 -4.553 -6.047 -12.736 1.00 0.54 H new ATOM 0 HA ASP A 93 -4.100 -6.248 -15.673 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -6.295 -6.661 -14.084 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -6.524 -4.967 -14.468 1.00 0.50 H new ATOM 1524 N GLY A 94 -4.511 -3.429 -14.009 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.218 -1.973 -14.070 1.00 0.61 C ATOM 1526 C GLY A 94 -2.711 -1.756 -14.232 1.00 0.73 C ATOM 1527 O GLY A 94 -2.250 -0.635 -14.318 1.00 0.82 O ATOM 0 H GLY A 94 -4.979 -3.741 -13.158 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -4.752 -1.519 -14.905 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -4.570 -1.483 -13.162 1.00 0.61 H new ATOM 1531 N GLY A 95 -1.937 -2.820 -14.284 1.00 0.80 N ATOM 1532 CA GLY A 95 -0.449 -2.669 -14.452 1.00 0.94 C ATOM 1533 C GLY A 95 0.296 -3.509 -13.406 1.00 0.92 C ATOM 1534 O GLY A 95 0.289 -4.721 -13.458 1.00 0.91 O ATOM 0 H GLY A 95 -2.269 -3.782 -14.218 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.156 -2.982 -15.454 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.170 -1.620 -14.351 1.00 0.94 H new ATOM 1538 N LEU A 96 0.951 -2.862 -12.468 1.00 0.92 N ATOM 1539 CA LEU A 96 1.719 -3.592 -11.411 1.00 0.91 C ATOM 1540 C LEU A 96 2.967 -4.237 -12.022 1.00 0.94 C ATOM 1541 O LEU A 96 3.967 -4.425 -11.360 1.00 0.95 O ATOM 1542 CB LEU A 96 0.825 -4.660 -10.775 1.00 0.89 C ATOM 1543 CG LEU A 96 1.326 -5.014 -9.360 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.192 -3.802 -8.408 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.500 -6.193 -8.821 1.00 0.86 C ATOM 0 H LEU A 96 0.985 -1.845 -12.391 1.00 0.92 H new ATOM 0 HA LEU A 96 2.034 -2.888 -10.641 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.202 -4.299 -10.723 1.00 0.89 H new ATOM 0 HB3 LEU A 96 0.817 -5.554 -11.398 1.00 0.89 H new ATOM 0 HG LEU A 96 2.380 -5.287 -9.414 1.00 0.87 H new ATOM 0 HD11 LEU A 96 1.552 -4.077 -7.416 1.00 0.93 H new ATOM 0 HD12 LEU A 96 1.784 -2.971 -8.791 1.00 0.93 H new ATOM 0 HD13 LEU A 96 0.146 -3.503 -8.344 1.00 0.93 H new ATOM 0 HD21 LEU A 96 0.846 -6.452 -7.820 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.552 -5.911 -8.780 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.620 -7.053 -9.480 1.00 0.86 H new ATOM 1557 N GLU A 97 2.905 -4.555 -13.282 1.00 0.96 N ATOM 1558 CA GLU A 97 4.070 -5.168 -13.995 1.00 1.00 C ATOM 1559 C GLU A 97 4.415 -6.557 -13.434 1.00 0.99 C ATOM 1560 O GLU A 97 3.753 -7.529 -13.738 1.00 0.99 O ATOM 1561 CB GLU A 97 5.286 -4.238 -13.896 1.00 1.05 C ATOM 1562 CG GLU A 97 4.873 -2.824 -14.306 1.00 1.13 C ATOM 1563 CD GLU A 97 6.090 -1.900 -14.251 1.00 1.25 C ATOM 1564 OE1 GLU A 97 7.170 -2.391 -13.967 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.922 -0.716 -14.495 1.00 1.37 O ATOM 0 H GLU A 97 2.080 -4.415 -13.865 1.00 0.96 H new ATOM 0 HA GLU A 97 3.794 -5.298 -15.041 1.00 1.00 H new ATOM 0 HB2 GLU A 97 5.675 -4.235 -12.878 1.00 1.05 H new ATOM 0 HB3 GLU A 97 6.087 -4.597 -14.542 1.00 1.05 H new ATOM 0 HG2 GLU A 97 4.456 -2.833 -15.313 1.00 1.13 H new ATOM 0 HG3 GLU A 97 4.092 -2.455 -13.641 1.00 1.13 H new ATOM 1572 N LYS A 98 5.476 -6.670 -12.663 1.00 1.02 N ATOM 1573 CA LYS A 98 5.901 -8.008 -12.128 1.00 1.01 C ATOM 1574 C LYS A 98 5.705 -8.087 -10.594 1.00 1.00 C ATOM 1575 O LYS A 98 6.572 -7.651 -9.863 1.00 1.04 O ATOM 1576 CB LYS A 98 7.400 -8.182 -12.416 1.00 1.08 C ATOM 1577 CG LYS A 98 7.693 -7.993 -13.922 1.00 1.09 C ATOM 1578 CD LYS A 98 7.619 -9.339 -14.652 1.00 1.13 C ATOM 1579 CE LYS A 98 7.956 -9.136 -16.131 1.00 1.16 C ATOM 1580 NZ LYS A 98 9.304 -8.509 -16.252 1.00 1.18 N ATOM 0 H LYS A 98 6.068 -5.889 -12.380 1.00 1.02 H new ATOM 0 HA LYS A 98 5.298 -8.781 -12.604 1.00 1.01 H new ATOM 0 HB2 LYS A 98 7.973 -7.459 -11.835 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.724 -9.174 -12.099 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.974 -7.297 -14.355 1.00 1.09 H new ATOM 0 HG3 LYS A 98 8.682 -7.554 -14.055 1.00 1.09 H new ATOM 0 HD2 LYS A 98 8.316 -10.047 -14.203 1.00 1.13 H new ATOM 0 HD3 LYS A 98 6.621 -9.766 -14.551 1.00 1.13 H new ATOM 0 HE2 LYS A 98 7.940 -10.093 -16.653 1.00 1.16 H new ATOM 0 HE3 LYS A 98 7.205 -8.503 -16.603 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 9.687 -8.689 -17.202 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 9.225 -7.483 -16.099 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 9.942 -8.917 -15.539 1.00 1.18 H new ATOM 1594 N PRO A 99 4.601 -8.653 -10.129 1.00 0.93 N ATOM 1595 CA PRO A 99 4.365 -8.785 -8.676 1.00 0.91 C ATOM 1596 C PRO A 99 5.354 -9.804 -8.093 1.00 0.98 C ATOM 1597 O PRO A 99 5.977 -10.554 -8.819 1.00 1.02 O ATOM 1598 CB PRO A 99 2.910 -9.287 -8.549 1.00 0.84 C ATOM 1599 CG PRO A 99 2.380 -9.549 -9.990 1.00 0.82 C ATOM 1600 CD PRO A 99 3.513 -9.184 -10.977 1.00 0.88 C ATOM 0 HA PRO A 99 4.509 -7.850 -8.134 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.869 -10.199 -7.953 1.00 0.84 H new ATOM 0 HB3 PRO A 99 2.292 -8.547 -8.041 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.091 -10.593 -10.108 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.492 -8.948 -10.187 1.00 0.82 H new ATOM 0 HD2 PRO A 99 3.842 -10.057 -11.541 1.00 0.88 H new ATOM 0 HD3 PRO A 99 3.180 -8.442 -11.703 1.00 0.88 H new ATOM 1608 N LYS A 100 5.511 -9.832 -6.789 1.00 0.98 N ATOM 1609 CA LYS A 100 6.470 -10.800 -6.165 1.00 1.05 C ATOM 1610 C LYS A 100 5.870 -11.447 -4.886 1.00 1.02 C ATOM 1611 O LYS A 100 5.895 -12.657 -4.777 1.00 1.04 O ATOM 1612 CB LYS A 100 7.800 -10.060 -5.854 1.00 1.11 C ATOM 1613 CG LYS A 100 8.972 -10.648 -6.668 1.00 1.18 C ATOM 1614 CD LYS A 100 10.146 -9.659 -6.682 1.00 1.25 C ATOM 1615 CE LYS A 100 10.716 -9.497 -5.271 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.966 -10.840 -4.677 1.00 1.30 N ATOM 0 H LYS A 100 5.018 -9.228 -6.132 1.00 0.98 H new ATOM 0 HA LYS A 100 6.666 -11.613 -6.864 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.691 -9.000 -6.083 1.00 1.11 H new ATOM 0 HB3 LYS A 100 8.020 -10.135 -4.789 1.00 1.11 H new ATOM 0 HG2 LYS A 100 9.289 -11.596 -6.233 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.649 -10.857 -7.688 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.923 -10.015 -7.358 1.00 1.25 H new ATOM 0 HD3 LYS A 100 9.813 -8.693 -7.061 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.643 -8.925 -5.306 1.00 1.22 H new ATOM 0 HE3 LYS A 100 10.019 -8.937 -4.648 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 11.644 -10.752 -3.893 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 10.072 -11.233 -4.319 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.356 -11.474 -5.403 1.00 1.30 H new ATOM 1630 N PRO A 101 5.364 -10.667 -3.940 1.00 0.97 N ATOM 1631 CA PRO A 101 4.804 -11.242 -2.703 1.00 0.95 C ATOM 1632 C PRO A 101 3.359 -11.694 -2.969 1.00 0.89 C ATOM 1633 O PRO A 101 2.895 -11.644 -4.092 1.00 0.89 O ATOM 1634 CB PRO A 101 4.893 -10.086 -1.698 1.00 0.92 C ATOM 1635 CG PRO A 101 5.032 -8.782 -2.511 1.00 0.92 C ATOM 1636 CD PRO A 101 5.293 -9.188 -3.985 1.00 0.95 C ATOM 0 HA PRO A 101 5.326 -12.124 -2.332 1.00 0.95 H new ATOM 0 HB2 PRO A 101 4.003 -10.054 -1.069 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.748 -10.218 -1.035 1.00 0.92 H new ATOM 0 HG2 PRO A 101 4.126 -8.181 -2.432 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.852 -8.175 -2.128 1.00 0.92 H new ATOM 0 HD2 PRO A 101 4.493 -8.846 -4.641 1.00 0.95 H new ATOM 0 HD3 PRO A 101 6.220 -8.755 -4.361 1.00 0.95 H new ATOM 1644 N ARG A 102 2.656 -12.169 -1.964 1.00 0.84 N ATOM 1645 CA ARG A 102 1.254 -12.667 -2.173 1.00 0.79 C ATOM 1646 C ARG A 102 0.249 -11.815 -1.359 1.00 0.71 C ATOM 1647 O ARG A 102 0.596 -11.335 -0.301 1.00 0.71 O ATOM 1648 CB ARG A 102 1.200 -14.116 -1.675 1.00 0.83 C ATOM 1649 CG ARG A 102 2.359 -14.902 -2.290 1.00 0.92 C ATOM 1650 CD ARG A 102 2.144 -16.399 -2.066 1.00 0.96 C ATOM 1651 NE ARG A 102 3.417 -17.128 -2.325 1.00 1.05 N ATOM 1652 CZ ARG A 102 3.559 -18.357 -1.910 1.00 1.11 C ATOM 1653 NH1 ARG A 102 2.586 -18.944 -1.269 1.00 1.09 N ATOM 1654 NH2 ARG A 102 4.674 -18.998 -2.136 1.00 1.18 N ATOM 0 H ARG A 102 2.994 -12.233 -1.004 1.00 0.84 H new ATOM 0 HA ARG A 102 0.989 -12.599 -3.228 1.00 0.79 H new ATOM 0 HB2 ARG A 102 1.264 -14.142 -0.587 1.00 0.83 H new ATOM 0 HB3 ARG A 102 0.249 -14.572 -1.950 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.428 -14.691 -3.357 1.00 0.92 H new ATOM 0 HG3 ARG A 102 3.302 -14.589 -1.841 1.00 0.92 H new ATOM 0 HD2 ARG A 102 1.810 -16.580 -1.044 1.00 0.96 H new ATOM 0 HD3 ARG A 102 1.360 -16.768 -2.728 1.00 0.96 H new ATOM 0 HE ARG A 102 4.177 -16.667 -2.826 1.00 1.05 H new ATOM 0 HH11 ARG A 102 1.716 -18.442 -1.093 1.00 1.09 H new ATOM 0 HH12 ARG A 102 2.696 -19.905 -0.944 1.00 1.09 H new ATOM 0 HH21 ARG A 102 5.434 -18.538 -2.637 1.00 1.18 H new ATOM 0 HH22 ARG A 102 4.785 -19.959 -1.812 1.00 1.18 H new ATOM 1668 N PRO A 103 -0.981 -11.674 -1.853 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.036 -10.907 -1.147 1.00 0.59 C ATOM 1670 C PRO A 103 -1.981 -11.204 0.352 1.00 0.59 C ATOM 1671 O PRO A 103 -2.339 -10.385 1.175 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.345 -11.399 -1.789 1.00 0.57 C ATOM 1673 CG PRO A 103 -2.953 -12.024 -3.154 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.429 -12.265 -3.129 1.00 0.67 C ATOM 0 HA PRO A 103 -1.928 -9.826 -1.238 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -3.838 -12.134 -1.152 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.045 -10.575 -1.926 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.487 -12.960 -3.315 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.223 -11.358 -3.973 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.195 -13.328 -3.178 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -0.938 -11.791 -3.979 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.506 -12.362 0.706 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.391 -12.711 2.142 1.00 0.65 C ATOM 1684 C GLU A 104 -0.229 -11.918 2.715 1.00 0.67 C ATOM 1685 O GLU A 104 -0.375 -11.143 3.634 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.089 -14.206 2.279 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.286 -15.020 1.792 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.003 -16.512 1.978 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.122 -16.835 2.758 1.00 0.82 O ATOM 1690 OE2 GLU A 104 -2.673 -17.306 1.339 1.00 0.81 O ATOM 0 H GLU A 104 -1.191 -13.084 0.058 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.318 -12.482 2.668 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.202 -14.462 1.699 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -0.871 -14.449 3.319 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.181 -14.737 2.347 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.481 -14.805 0.741 1.00 0.71 H new ATOM 1697 N ASP A 105 0.922 -12.108 2.137 1.00 0.73 N ATOM 1698 CA ASP A 105 2.152 -11.402 2.574 1.00 0.78 C ATOM 1699 C ASP A 105 1.826 -9.939 2.872 1.00 0.73 C ATOM 1700 O ASP A 105 2.464 -9.297 3.673 1.00 0.77 O ATOM 1701 CB ASP A 105 3.165 -11.486 1.428 1.00 0.83 C ATOM 1702 CG ASP A 105 3.187 -12.910 0.868 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.513 -13.760 1.428 1.00 0.94 O ATOM 1704 OD2 ASP A 105 3.885 -13.128 -0.107 1.00 0.86 O ATOM 0 H ASP A 105 1.063 -12.746 1.353 1.00 0.73 H new ATOM 0 HA ASP A 105 2.558 -11.857 3.478 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.900 -10.779 0.642 1.00 0.83 H new ATOM 0 HB3 ASP A 105 4.157 -11.209 1.785 1.00 0.83 H new ATOM 1709 N ILE A 106 0.820 -9.415 2.245 1.00 0.67 N ATOM 1710 CA ILE A 106 0.433 -7.998 2.507 1.00 0.64 C ATOM 1711 C ILE A 106 -0.465 -7.981 3.748 1.00 0.59 C ATOM 1712 O ILE A 106 -0.080 -7.499 4.795 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.316 -7.412 1.288 1.00 0.61 C ATOM 1714 CG1 ILE A 106 0.122 -8.122 -0.002 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.022 -5.912 1.152 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.627 -7.935 -0.234 1.00 0.72 C ATOM 0 H ILE A 106 0.243 -9.903 1.559 1.00 0.67 H new ATOM 0 HA ILE A 106 1.320 -7.387 2.675 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.384 -7.563 1.443 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.113 -9.184 0.063 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.435 -7.724 -0.850 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.556 -5.513 0.290 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.350 -5.394 2.053 1.00 0.62 H new ATOM 0 HG23 ILE A 106 1.049 -5.762 1.017 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.920 -8.445 -1.152 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.852 -6.872 -0.321 1.00 0.72 H new ATOM 0 HD13 ILE A 106 2.180 -8.355 0.606 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.656 -8.530 3.643 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.573 -8.576 4.827 1.00 0.51 C ATOM 1730 C VAL A 107 -1.764 -9.020 6.053 1.00 0.53 C ATOM 1731 O VAL A 107 -2.069 -8.680 7.178 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.656 -9.642 4.571 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.392 -10.007 5.876 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.657 -9.138 3.534 1.00 0.46 C ATOM 0 H VAL A 107 -2.030 -8.946 2.790 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.023 -7.596 4.989 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.165 -10.538 4.191 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.151 -10.761 5.667 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.678 -10.402 6.598 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -4.869 -9.117 6.286 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.417 -9.900 3.362 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.132 -8.228 3.899 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.137 -8.926 2.600 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.750 -9.810 5.823 1.00 0.59 N ATOM 1745 CA ASN A 108 0.082 -10.330 6.945 1.00 0.63 C ATOM 1746 C ASN A 108 0.681 -9.164 7.742 1.00 0.63 C ATOM 1747 O ASN A 108 1.469 -9.361 8.645 1.00 0.66 O ATOM 1748 CB ASN A 108 1.220 -11.208 6.364 1.00 0.69 C ATOM 1749 CG ASN A 108 1.540 -12.360 7.324 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.453 -12.267 8.120 1.00 1.33 O ATOM 1751 ND2 ASN A 108 0.821 -13.449 7.281 1.00 1.35 N ATOM 0 H ASN A 108 -0.460 -10.120 4.896 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.540 -10.926 7.613 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.924 -11.605 5.393 1.00 0.69 H new ATOM 0 HB3 ASN A 108 2.111 -10.601 6.202 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.026 -14.221 7.915 1.00 1.35 H new ATOM 0 HD22 ASN A 108 0.054 -13.528 6.613 1.00 1.35 H new ATOM 1758 N CYS A 109 0.310 -7.957 7.423 1.00 0.61 N ATOM 1759 CA CYS A 109 0.852 -6.790 8.170 1.00 0.63 C ATOM 1760 C CYS A 109 2.379 -6.864 8.203 1.00 0.70 C ATOM 1761 O CYS A 109 3.029 -6.062 8.845 1.00 0.85 O ATOM 1762 CB CYS A 109 0.311 -6.809 9.600 1.00 0.62 C ATOM 1763 SG CYS A 109 0.929 -5.364 10.497 1.00 0.66 S ATOM 0 H CYS A 109 -0.346 -7.728 6.676 1.00 0.61 H new ATOM 0 HA CYS A 109 0.546 -5.869 7.674 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.779 -6.804 9.588 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.620 -7.724 10.105 1.00 0.62 H new ATOM 0 HG CYS A 109 2.078 -5.007 10.005 1.00 0.66 H new ATOM 1769 N ASP A 110 2.967 -7.807 7.514 1.00 0.72 N ATOM 1770 CA ASP A 110 4.441 -7.893 7.520 1.00 0.79 C ATOM 1771 C ASP A 110 4.985 -6.684 6.786 1.00 0.81 C ATOM 1772 O ASP A 110 4.270 -5.975 6.108 1.00 0.80 O ATOM 1773 CB ASP A 110 4.919 -9.176 6.830 1.00 0.84 C ATOM 1774 CG ASP A 110 4.378 -9.239 5.406 1.00 0.85 C ATOM 1775 OD1 ASP A 110 4.198 -8.189 4.811 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.157 -10.340 4.929 1.00 0.98 O ATOM 0 H ASP A 110 2.487 -8.512 6.954 1.00 0.72 H new ATOM 0 HA ASP A 110 4.800 -7.914 8.549 1.00 0.79 H new ATOM 0 HB2 ASP A 110 6.008 -9.206 6.815 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.584 -10.047 7.393 1.00 0.84 H new ATOM 1781 N LEU A 111 6.241 -6.443 6.925 1.00 0.89 N ATOM 1782 CA LEU A 111 6.873 -5.292 6.263 1.00 0.93 C ATOM 1783 C LEU A 111 7.519 -5.767 4.973 1.00 0.97 C ATOM 1784 O LEU A 111 7.220 -5.322 3.911 1.00 0.96 O ATOM 1785 CB LEU A 111 7.966 -4.743 7.183 1.00 1.02 C ATOM 1786 CG LEU A 111 7.398 -4.348 8.561 1.00 1.06 C ATOM 1787 CD1 LEU A 111 6.223 -3.380 8.384 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.940 -5.598 9.348 1.00 1.12 C ATOM 0 H LEU A 111 6.875 -7.012 7.486 1.00 0.89 H new ATOM 0 HA LEU A 111 6.131 -4.522 6.052 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.746 -5.493 7.311 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.432 -3.875 6.718 1.00 1.02 H new ATOM 0 HG LEU A 111 8.187 -3.856 9.130 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.827 -3.106 9.362 1.00 1.09 H new ATOM 0 HD12 LEU A 111 6.565 -2.484 7.866 1.00 1.09 H new ATOM 0 HD13 LEU A 111 5.440 -3.861 7.798 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.543 -5.293 10.316 1.00 1.12 H new ATOM 0 HD22 LEU A 111 6.165 -6.118 8.786 1.00 1.12 H new ATOM 0 HD23 LEU A 111 7.789 -6.265 9.497 1.00 1.12 H new ATOM 1800 N LYS A 112 8.425 -6.668 5.099 1.00 1.00 N ATOM 1801 CA LYS A 112 9.186 -7.205 3.942 1.00 1.04 C ATOM 1802 C LYS A 112 8.424 -7.184 2.612 1.00 1.02 C ATOM 1803 O LYS A 112 8.654 -6.356 1.737 1.00 1.04 O ATOM 1804 CB LYS A 112 9.484 -8.657 4.308 1.00 1.06 C ATOM 1805 CG LYS A 112 10.277 -9.335 3.197 1.00 1.12 C ATOM 1806 CD LYS A 112 10.914 -10.636 3.722 1.00 1.15 C ATOM 1807 CE LYS A 112 12.232 -10.338 4.466 1.00 1.20 C ATOM 1808 NZ LYS A 112 13.377 -10.518 3.531 1.00 1.17 N ATOM 0 H LYS A 112 8.688 -7.079 5.995 1.00 1.00 H new ATOM 0 HA LYS A 112 10.066 -6.583 3.779 1.00 1.04 H new ATOM 0 HB2 LYS A 112 10.047 -8.695 5.240 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.551 -9.195 4.477 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.622 -9.556 2.354 1.00 1.12 H new ATOM 0 HG3 LYS A 112 11.053 -8.663 2.830 1.00 1.12 H new ATOM 0 HD2 LYS A 112 10.219 -11.142 4.392 1.00 1.15 H new ATOM 0 HD3 LYS A 112 11.106 -11.314 2.890 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.221 -9.320 4.854 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.338 -11.004 5.322 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 14.267 -10.318 4.030 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 13.389 -11.497 3.181 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 13.276 -9.865 2.728 1.00 1.17 H new ATOM 1822 N SER A 113 7.554 -8.102 2.447 1.00 0.98 N ATOM 1823 CA SER A 113 6.792 -8.206 1.183 1.00 0.96 C ATOM 1824 C SER A 113 5.967 -6.939 0.935 1.00 0.92 C ATOM 1825 O SER A 113 6.082 -6.271 -0.079 1.00 0.94 O ATOM 1826 CB SER A 113 5.858 -9.391 1.364 1.00 0.92 C ATOM 1827 OG SER A 113 5.552 -9.525 2.745 1.00 0.90 O ATOM 0 H SER A 113 7.323 -8.809 3.145 1.00 0.98 H new ATOM 0 HA SER A 113 7.461 -8.329 0.332 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.945 -9.243 0.788 1.00 0.92 H new ATOM 0 HB3 SER A 113 6.327 -10.302 0.991 1.00 0.92 H new ATOM 0 HG SER A 113 5.845 -10.405 3.061 1.00 0.90 H new ATOM 1833 N THR A 114 5.127 -6.641 1.864 1.00 0.88 N ATOM 1834 CA THR A 114 4.237 -5.457 1.766 1.00 0.85 C ATOM 1835 C THR A 114 5.030 -4.249 1.235 1.00 0.89 C ATOM 1836 O THR A 114 4.556 -3.485 0.423 1.00 0.89 O ATOM 1837 CB THR A 114 3.629 -5.215 3.182 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.227 -5.034 3.058 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.227 -3.990 3.888 1.00 0.84 C ATOM 0 H THR A 114 5.011 -7.184 2.720 1.00 0.88 H new ATOM 0 HA THR A 114 3.423 -5.617 1.059 1.00 0.85 H new ATOM 0 HB THR A 114 3.866 -6.089 3.789 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.837 -4.883 3.944 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.765 -3.873 4.868 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.302 -4.128 4.008 1.00 0.84 H new ATOM 0 HG23 THR A 114 4.040 -3.098 3.290 1.00 0.84 H new ATOM 1847 N LEU A 115 6.233 -4.092 1.686 1.00 0.95 N ATOM 1848 CA LEU A 115 7.080 -2.959 1.248 1.00 1.00 C ATOM 1849 C LEU A 115 7.404 -3.087 -0.235 1.00 1.02 C ATOM 1850 O LEU A 115 7.404 -2.114 -0.960 1.00 1.02 O ATOM 1851 CB LEU A 115 8.387 -2.988 2.059 1.00 1.06 C ATOM 1852 CG LEU A 115 8.181 -2.316 3.427 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.418 -2.564 4.298 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.957 -0.797 3.252 1.00 1.06 C ATOM 0 H LEU A 115 6.677 -4.718 2.358 1.00 0.95 H new ATOM 0 HA LEU A 115 6.550 -2.021 1.411 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.714 -4.018 2.198 1.00 1.06 H new ATOM 0 HB3 LEU A 115 9.176 -2.475 1.509 1.00 1.06 H new ATOM 0 HG LEU A 115 7.300 -2.741 3.908 1.00 1.04 H new ATOM 0 HD11 LEU A 115 9.280 -2.090 5.270 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.558 -3.636 4.434 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.297 -2.142 3.811 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.813 -0.336 4.229 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.827 -0.354 2.767 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.073 -0.628 2.637 1.00 1.06 H new ATOM 1866 N ARG A 116 7.702 -4.265 -0.695 1.00 1.03 N ATOM 1867 CA ARG A 116 8.053 -4.407 -2.137 1.00 1.05 C ATOM 1868 C ARG A 116 6.877 -3.961 -3.031 1.00 1.01 C ATOM 1869 O ARG A 116 7.053 -3.197 -3.963 1.00 1.04 O ATOM 1870 CB ARG A 116 8.422 -5.877 -2.398 1.00 1.04 C ATOM 1871 CG ARG A 116 9.960 -6.067 -2.433 1.00 1.10 C ATOM 1872 CD ARG A 116 10.574 -5.698 -1.072 1.00 1.10 C ATOM 1873 NE ARG A 116 10.696 -4.205 -0.916 1.00 1.16 N ATOM 1874 CZ ARG A 116 11.391 -3.467 -1.747 1.00 1.17 C ATOM 1875 NH1 ARG A 116 12.095 -4.014 -2.698 1.00 1.13 N ATOM 1876 NH2 ARG A 116 11.404 -2.170 -1.600 1.00 1.23 N ATOM 0 H ARG A 116 7.719 -5.126 -0.148 1.00 1.03 H new ATOM 0 HA ARG A 116 8.901 -3.767 -2.381 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.992 -6.507 -1.619 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.990 -6.201 -3.345 1.00 1.04 H new ATOM 0 HG2 ARG A 116 10.200 -7.101 -2.680 1.00 1.10 H new ATOM 0 HG3 ARG A 116 10.393 -5.444 -3.216 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.955 -6.101 -0.270 1.00 1.10 H new ATOM 0 HD3 ARG A 116 11.558 -6.158 -0.977 1.00 1.10 H new ATOM 0 HE ARG A 116 10.221 -3.752 -0.136 1.00 1.16 H new ATOM 0 HH11 ARG A 116 12.110 -5.029 -2.803 1.00 1.13 H new ATOM 0 HH12 ARG A 116 12.631 -3.427 -3.338 1.00 1.13 H new ATOM 0 HH21 ARG A 116 10.876 -1.737 -0.842 1.00 1.23 H new ATOM 0 HH22 ARG A 116 11.943 -1.589 -2.243 1.00 1.23 H new ATOM 1890 N VAL A 117 5.694 -4.434 -2.771 1.00 0.95 N ATOM 1891 CA VAL A 117 4.530 -4.042 -3.626 1.00 0.91 C ATOM 1892 C VAL A 117 4.201 -2.560 -3.425 1.00 0.92 C ATOM 1893 O VAL A 117 3.908 -1.849 -4.367 1.00 0.94 O ATOM 1894 CB VAL A 117 3.310 -4.928 -3.269 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.989 -4.203 -3.572 1.00 0.82 C ATOM 1896 CG2 VAL A 117 3.362 -6.215 -4.097 1.00 0.85 C ATOM 0 H VAL A 117 5.477 -5.074 -2.007 1.00 0.95 H new ATOM 0 HA VAL A 117 4.782 -4.193 -4.676 1.00 0.91 H new ATOM 0 HB VAL A 117 3.352 -5.151 -2.203 1.00 0.85 H new ATOM 0 HG11 VAL A 117 1.151 -4.849 -3.311 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.935 -3.285 -2.987 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.943 -3.959 -4.633 1.00 0.82 H new ATOM 0 HG21 VAL A 117 2.505 -6.842 -3.849 1.00 0.85 H new ATOM 0 HG22 VAL A 117 3.335 -5.966 -5.158 1.00 0.85 H new ATOM 0 HG23 VAL A 117 4.283 -6.754 -3.874 1.00 0.85 H new ATOM 1906 N LEU A 118 4.236 -2.089 -2.219 1.00 0.91 N ATOM 1907 CA LEU A 118 3.911 -0.663 -1.985 1.00 0.92 C ATOM 1908 C LEU A 118 4.864 0.174 -2.825 1.00 0.98 C ATOM 1909 O LEU A 118 4.452 1.074 -3.519 1.00 1.00 O ATOM 1910 CB LEU A 118 4.081 -0.332 -0.505 1.00 0.92 C ATOM 1911 CG LEU A 118 2.818 -0.709 0.336 1.00 0.86 C ATOM 1912 CD1 LEU A 118 2.022 -1.896 -0.261 1.00 0.86 C ATOM 1913 CD2 LEU A 118 3.245 -1.059 1.777 1.00 0.81 C ATOM 0 H LEU A 118 4.475 -2.627 -1.386 1.00 0.91 H new ATOM 0 HA LEU A 118 2.879 -0.452 -2.265 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.948 -0.864 -0.113 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.284 0.733 -0.394 1.00 0.92 H new ATOM 0 HG LEU A 118 2.159 0.159 0.324 1.00 0.86 H new ATOM 0 HD11 LEU A 118 1.158 -2.108 0.369 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.685 -1.640 -1.265 1.00 0.86 H new ATOM 0 HD13 LEU A 118 2.662 -2.777 -0.307 1.00 0.86 H new ATOM 0 HD21 LEU A 118 2.365 -1.322 2.364 1.00 0.81 H new ATOM 0 HD22 LEU A 118 3.934 -1.904 1.757 1.00 0.81 H new ATOM 0 HD23 LEU A 118 3.739 -0.199 2.229 1.00 0.81 H new ATOM 1925 N TYR A 119 6.136 -0.139 -2.799 1.00 1.03 N ATOM 1926 CA TYR A 119 7.101 0.619 -3.639 1.00 1.09 C ATOM 1927 C TYR A 119 6.518 0.695 -5.037 1.00 1.08 C ATOM 1928 O TYR A 119 6.380 1.743 -5.631 1.00 1.11 O ATOM 1929 CB TYR A 119 8.407 -0.155 -3.709 1.00 1.13 C ATOM 1930 CG TYR A 119 9.404 0.642 -4.505 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.931 1.818 -3.972 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.791 0.209 -5.776 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.853 2.570 -4.712 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.714 0.956 -6.518 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.245 2.138 -5.986 1.00 1.34 C ATOM 1936 OH TYR A 119 12.154 2.878 -6.716 1.00 1.41 O ATOM 0 H TYR A 119 6.542 -0.884 -2.233 1.00 1.03 H new ATOM 0 HA TYR A 119 7.279 1.612 -3.226 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.789 -0.341 -2.705 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.244 -1.127 -4.174 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.629 2.149 -2.989 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.378 -0.701 -6.186 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.261 3.482 -4.301 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.016 0.621 -7.499 1.00 1.31 H new ATOM 0 HH TYR A 119 12.318 2.438 -7.576 1.00 1.41 H new ATOM 1946 N ASN A 120 6.157 -0.442 -5.534 1.00 1.06 N ATOM 1947 CA ASN A 120 5.543 -0.535 -6.882 1.00 1.05 C ATOM 1948 C ASN A 120 4.472 0.569 -7.039 1.00 1.03 C ATOM 1949 O ASN A 120 4.360 1.198 -8.078 1.00 1.05 O ATOM 1950 CB ASN A 120 4.900 -1.937 -7.008 1.00 1.01 C ATOM 1951 CG ASN A 120 5.120 -2.503 -8.418 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.241 -3.699 -8.592 1.00 1.06 O ATOM 1953 ND2 ASN A 120 5.177 -1.687 -9.434 1.00 1.06 N ATOM 0 H ASN A 120 6.263 -1.336 -5.054 1.00 1.06 H new ATOM 0 HA ASN A 120 6.291 -0.396 -7.663 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.332 -2.610 -6.268 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.832 -1.875 -6.797 1.00 1.01 H new ATOM 0 HD21 ASN A 120 5.323 -2.053 -10.375 1.00 1.06 H new ATOM 0 HD22 ASN A 120 5.075 -0.683 -9.288 1.00 1.06 H new ATOM 1960 N LEU A 121 3.690 0.817 -6.016 1.00 0.99 N ATOM 1961 CA LEU A 121 2.646 1.875 -6.121 1.00 0.97 C ATOM 1962 C LEU A 121 3.319 3.243 -6.103 1.00 1.03 C ATOM 1963 O LEU A 121 3.179 4.007 -7.025 1.00 1.05 O ATOM 1964 CB LEU A 121 1.671 1.777 -4.945 1.00 0.92 C ATOM 1965 CG LEU A 121 0.560 0.770 -5.261 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.170 -0.620 -5.449 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.442 0.734 -4.104 1.00 0.87 C ATOM 0 H LEU A 121 3.732 0.333 -5.119 1.00 0.99 H new ATOM 0 HA LEU A 121 2.094 1.740 -7.051 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.205 1.470 -4.045 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.237 2.756 -4.740 1.00 0.92 H new ATOM 0 HG LEU A 121 0.048 1.070 -6.176 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.380 -1.337 -5.674 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.883 -0.596 -6.273 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.682 -0.919 -4.534 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.232 0.018 -4.329 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.069 0.435 -3.189 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.878 1.724 -3.969 1.00 0.87 H new ATOM 1979 N PHE A 122 4.044 3.558 -5.056 1.00 1.05 N ATOM 1980 CA PHE A 122 4.730 4.879 -4.974 1.00 1.11 C ATOM 1981 C PHE A 122 5.313 5.220 -6.323 1.00 1.16 C ATOM 1982 O PHE A 122 5.474 6.352 -6.679 1.00 1.20 O ATOM 1983 CB PHE A 122 5.874 4.761 -3.946 1.00 1.14 C ATOM 1984 CG PHE A 122 6.061 6.060 -3.223 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.120 6.421 -2.280 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.166 6.880 -3.481 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.266 7.624 -1.569 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.317 8.081 -2.780 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.366 8.454 -1.822 1.00 1.27 C ATOM 0 H PHE A 122 4.189 2.949 -4.251 1.00 1.05 H new ATOM 0 HA PHE A 122 4.026 5.656 -4.676 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.650 3.969 -3.232 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.799 4.482 -4.451 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.272 5.779 -2.089 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.899 6.587 -4.218 1.00 1.25 H new ATOM 0 HE1 PHE A 122 4.532 7.908 -0.829 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.165 8.719 -2.977 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.480 9.380 -1.279 1.00 1.27 H new ATOM 1999 N THR A 123 5.600 4.226 -7.066 1.00 1.15 N ATOM 2000 CA THR A 123 6.167 4.453 -8.422 1.00 1.20 C ATOM 2001 C THR A 123 5.049 4.903 -9.359 1.00 1.18 C ATOM 2002 O THR A 123 5.172 5.871 -10.083 1.00 1.22 O ATOM 2003 CB THR A 123 6.788 3.154 -8.942 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.568 2.560 -7.914 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.677 3.459 -10.149 1.00 1.27 C ATOM 0 H THR A 123 5.472 3.248 -6.806 1.00 1.15 H new ATOM 0 HA THR A 123 6.938 5.222 -8.377 1.00 1.20 H new ATOM 0 HB THR A 123 5.997 2.466 -9.241 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.976 2.181 -7.232 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.119 2.534 -10.519 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.077 3.915 -10.937 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.469 4.146 -9.853 1.00 1.27 H new ATOM 2013 N LYS A 124 3.966 4.190 -9.350 1.00 1.12 N ATOM 2014 CA LYS A 124 2.820 4.518 -10.235 1.00 1.10 C ATOM 2015 C LYS A 124 2.141 5.842 -9.861 1.00 1.10 C ATOM 2016 O LYS A 124 1.513 6.463 -10.697 1.00 1.11 O ATOM 2017 CB LYS A 124 1.785 3.411 -10.086 1.00 1.04 C ATOM 2018 CG LYS A 124 2.289 2.119 -10.724 1.00 1.04 C ATOM 2019 CD LYS A 124 1.316 0.964 -10.381 1.00 0.99 C ATOM 2020 CE LYS A 124 0.994 0.186 -11.643 1.00 0.98 C ATOM 2021 NZ LYS A 124 -0.046 -0.840 -11.350 1.00 0.92 N ATOM 0 H LYS A 124 3.822 3.375 -8.754 1.00 1.12 H new ATOM 0 HA LYS A 124 3.200 4.610 -11.252 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.572 3.243 -9.030 1.00 1.04 H new ATOM 0 HB3 LYS A 124 0.849 3.714 -10.555 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.363 2.239 -11.805 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.290 1.887 -10.360 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.764 0.304 -9.638 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.401 1.362 -9.943 1.00 0.99 H new ATOM 0 HE2 LYS A 124 0.640 0.864 -12.419 1.00 0.98 H new ATOM 0 HE3 LYS A 124 1.895 -0.294 -12.025 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 -0.386 -1.254 -12.241 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.363 -1.588 -10.754 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -0.841 -0.395 -10.849 1.00 0.92 H new ATOM 2035 N TYR A 125 2.200 6.257 -8.619 1.00 1.10 N ATOM 2036 CA TYR A 125 1.481 7.516 -8.214 1.00 1.11 C ATOM 2037 C TYR A 125 2.457 8.671 -7.988 1.00 1.17 C ATOM 2038 O TYR A 125 2.085 9.826 -7.999 1.00 1.20 O ATOM 2039 CB TYR A 125 0.701 7.223 -6.938 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.404 6.237 -7.261 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.120 4.866 -7.382 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.714 6.693 -7.446 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.145 3.962 -7.685 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.737 5.787 -7.749 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.452 4.423 -7.868 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.462 3.531 -8.167 1.00 0.86 O ATOM 0 H TYR A 125 2.709 5.787 -7.871 1.00 1.10 H new ATOM 0 HA TYR A 125 0.806 7.821 -9.014 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.363 6.812 -6.176 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.280 8.143 -6.532 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.890 4.510 -7.241 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.936 7.746 -7.355 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.926 2.908 -7.777 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.747 6.142 -7.891 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.309 4.015 -8.261 1.00 0.86 H new ATOM 2056 N ARG A 126 3.691 8.362 -7.780 1.00 1.20 N ATOM 2057 CA ARG A 126 4.718 9.407 -7.544 1.00 1.27 C ATOM 2058 C ARG A 126 4.534 10.583 -8.515 1.00 1.31 C ATOM 2059 O ARG A 126 4.828 11.717 -8.191 1.00 1.35 O ATOM 2060 CB ARG A 126 6.100 8.733 -7.716 1.00 1.31 C ATOM 2061 CG ARG A 126 7.087 9.659 -8.429 1.00 1.38 C ATOM 2062 CD ARG A 126 8.514 9.058 -8.427 1.00 1.42 C ATOM 2063 NE ARG A 126 9.514 10.112 -8.054 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.487 11.300 -8.602 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.638 11.570 -9.555 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.332 12.214 -8.211 1.00 1.59 N ATOM 0 H ARG A 126 4.046 7.406 -7.762 1.00 1.20 H new ATOM 0 HA ARG A 126 4.627 9.823 -6.541 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.497 8.459 -6.739 1.00 1.31 H new ATOM 0 HB3 ARG A 126 5.988 7.810 -8.285 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.760 9.824 -9.456 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.098 10.632 -7.938 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.567 8.229 -7.722 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.749 8.654 -9.412 1.00 1.42 H new ATOM 0 HE ARG A 126 10.230 9.898 -7.359 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.989 10.853 -9.878 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.623 12.499 -9.977 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.011 12.002 -7.480 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.314 13.141 -8.636 1.00 1.59 H new ATOM 2080 N ASN A 127 4.084 10.318 -9.704 1.00 1.30 N ATOM 2081 CA ASN A 127 3.913 11.402 -10.711 1.00 1.33 C ATOM 2082 C ASN A 127 2.459 11.849 -10.729 1.00 1.29 C ATOM 2083 O ASN A 127 2.134 12.950 -11.128 1.00 1.31 O ATOM 2084 CB ASN A 127 4.312 10.828 -12.083 1.00 1.35 C ATOM 2085 CG ASN A 127 5.746 11.241 -12.442 1.00 1.43 C ATOM 2086 OD1 ASN A 127 5.954 12.221 -13.130 1.00 1.46 O ATOM 2087 ND2 ASN A 127 6.746 10.530 -12.000 1.00 1.46 N ATOM 0 H ASN A 127 3.823 9.387 -10.028 1.00 1.30 H new ATOM 0 HA ASN A 127 4.535 12.264 -10.469 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.234 9.741 -12.066 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.622 11.185 -12.848 1.00 1.35 H new ATOM 0 HD21 ASN A 127 7.703 10.796 -12.232 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.571 9.708 -11.423 1.00 1.46 H new ATOM 2094 N VAL A 128 1.594 10.989 -10.306 1.00 1.23 N ATOM 2095 CA VAL A 128 0.136 11.310 -10.288 1.00 1.18 C ATOM 2096 C VAL A 128 -0.297 11.602 -8.856 1.00 1.15 C ATOM 2097 O VAL A 128 -0.021 10.864 -7.932 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.630 10.113 -10.869 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.102 10.147 -10.437 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.554 10.154 -12.399 1.00 1.17 C ATOM 0 H VAL A 128 1.830 10.058 -9.964 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.077 12.193 -10.891 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.175 9.196 -10.494 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.625 9.290 -10.860 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.163 10.109 -9.349 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.565 11.067 -10.794 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.097 9.305 -12.813 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.999 11.081 -12.761 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.489 10.106 -12.713 1.00 1.17 H new