USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 26 GLN : amide:sc= 0.59 X(o=1.4,f=1) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0.809 USER MOD Single : A 11 MET CE :methyl 159:sc= -0.111 (180deg=-0.73) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 143:sc= -0.528 (180deg=-3.38!) USER MOD Single : A 20 THR OG1 : rot -66:sc= 1.06 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 HIS : no HD1:sc= -0.969 X(o=-0.97,f=-0.74) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 28:sc= 0.0957 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 110:sc= 0.0643 USER MOD Single : A 59 ASN : amide:sc= -2.12! C(o=-2.1!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot 25:sc= 0.604 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 7.489 -21.796 10.835 1.00 40.01 N ATOM 135 CA GLU A 9 7.144 -22.317 12.164 1.00 53.54 C ATOM 136 C GLU A 9 7.727 -23.721 12.362 1.00 55.20 C ATOM 137 O GLU A 9 7.143 -24.712 11.925 1.00 50.30 O ATOM 138 CB GLU A 9 5.620 -22.354 12.364 1.00 41.31 C ATOM 139 CG GLU A 9 4.949 -20.987 12.296 1.00 12.24 C ATOM 140 CD GLU A 9 3.441 -21.062 12.484 1.00 4.04 C ATOM 141 OE1 GLU A 9 2.977 -21.016 13.645 1.00 23.00 O ATOM 142 OE2 GLU A 9 2.711 -21.164 11.475 1.00 53.25 O ATOM 0 HA GLU A 9 7.576 -21.645 12.906 1.00 53.54 H new ATOM 0 HB2 GLU A 9 5.180 -23.001 11.604 1.00 41.31 H new ATOM 0 HB3 GLU A 9 5.402 -22.806 13.332 1.00 41.31 H new ATOM 0 HG2 GLU A 9 5.375 -20.340 13.063 1.00 12.24 H new ATOM 0 HG3 GLU A 9 5.168 -20.527 11.333 1.00 12.24 H new ATOM 149 N TRP A 10 8.887 -23.796 13.005 1.00 45.13 N ATOM 150 CA TRP A 10 9.567 -25.074 13.240 1.00 5.33 C ATOM 151 C TRP A 10 9.363 -25.546 14.690 1.00 4.44 C ATOM 152 O TRP A 10 9.846 -24.910 15.630 1.00 33.45 O ATOM 153 CB TRP A 10 11.063 -24.929 12.933 1.00 72.12 C ATOM 154 CG TRP A 10 11.346 -24.406 11.552 1.00 40.44 C ATOM 155 CD1 TRP A 10 11.536 -23.102 11.193 1.00 53.31 C ATOM 156 CD2 TRP A 10 11.473 -25.173 10.348 1.00 55.22 C ATOM 157 NE1 TRP A 10 11.778 -23.013 9.846 1.00 33.13 N ATOM 158 CE2 TRP A 10 11.741 -24.268 9.304 1.00 61.15 C ATOM 159 CE3 TRP A 10 11.387 -26.535 10.052 1.00 24.42 C ATOM 160 CZ2 TRP A 10 11.923 -24.680 7.990 1.00 52.34 C ATOM 161 CZ3 TRP A 10 11.569 -26.943 8.745 1.00 43.54 C ATOM 162 CH2 TRP A 10 11.833 -26.019 7.727 1.00 13.44 C ATOM 0 H TRP A 10 9.382 -22.985 13.376 1.00 45.13 H new ATOM 0 HA TRP A 10 9.136 -25.824 12.577 1.00 5.33 H new ATOM 0 HB2 TRP A 10 11.512 -24.259 13.666 1.00 72.12 H new ATOM 0 HB3 TRP A 10 11.545 -25.899 13.051 1.00 72.12 H new ATOM 0 HD1 TRP A 10 11.501 -22.263 11.872 1.00 53.31 H new ATOM 0 HE1 TRP A 10 11.957 -22.150 9.332 1.00 33.13 H new ATOM 0 HE3 TRP A 10 11.182 -27.255 10.830 1.00 24.42 H new ATOM 0 HZ2 TRP A 10 12.128 -23.968 7.204 1.00 52.34 H new ATOM 0 HZ3 TRP A 10 11.507 -27.994 8.504 1.00 43.54 H new ATOM 0 HH2 TRP A 10 11.968 -26.370 6.715 1.00 13.44 H new ATOM 173 N MET A 11 8.656 -26.663 14.865 1.00 33.53 N ATOM 174 CA MET A 11 8.313 -27.161 16.207 1.00 45.42 C ATOM 175 C MET A 11 8.535 -28.682 16.335 1.00 53.21 C ATOM 176 O MET A 11 8.463 -29.412 15.349 1.00 35.13 O ATOM 177 CB MET A 11 6.855 -26.806 16.533 1.00 52.03 C ATOM 178 CG MET A 11 5.847 -27.336 15.518 1.00 12.11 C ATOM 179 SD MET A 11 4.158 -26.800 15.868 1.00 51.42 S ATOM 180 CE MET A 11 4.297 -25.027 15.644 1.00 30.24 C ATOM 0 H MET A 11 8.309 -27.242 14.100 1.00 33.53 H new ATOM 0 HA MET A 11 8.978 -26.677 16.923 1.00 45.42 H new ATOM 0 HB2 MET A 11 6.607 -27.202 17.518 1.00 52.03 H new ATOM 0 HB3 MET A 11 6.760 -25.722 16.592 1.00 52.03 H new ATOM 0 HG2 MET A 11 6.131 -27.000 14.521 1.00 12.11 H new ATOM 0 HG3 MET A 11 5.884 -28.425 15.510 1.00 12.11 H new ATOM 0 HE1 MET A 11 3.310 -24.605 15.456 1.00 30.24 H new ATOM 0 HE2 MET A 11 4.718 -24.578 16.544 1.00 30.24 H new ATOM 0 HE3 MET A 11 4.948 -24.817 14.795 1.00 30.24 H new ATOM 190 N VAL A 12 8.799 -29.151 17.560 1.00 33.13 N ATOM 191 CA VAL A 12 9.057 -30.580 17.813 1.00 41.12 C ATOM 192 C VAL A 12 7.758 -31.402 17.902 1.00 51.01 C ATOM 193 O VAL A 12 6.658 -30.850 17.908 1.00 72.03 O ATOM 194 CB VAL A 12 9.869 -30.785 19.119 1.00 74.22 C ATOM 195 CG1 VAL A 12 11.247 -30.137 19.011 1.00 73.33 C ATOM 196 CG2 VAL A 12 9.100 -30.244 20.326 1.00 44.55 C ATOM 0 H VAL A 12 8.840 -28.565 18.394 1.00 33.13 H new ATOM 0 HA VAL A 12 9.637 -30.935 16.961 1.00 41.12 H new ATOM 0 HB VAL A 12 10.014 -31.855 19.264 1.00 74.22 H new ATOM 0 HG11 VAL A 12 11.797 -30.294 19.939 1.00 73.33 H new ATOM 0 HG12 VAL A 12 11.796 -30.586 18.183 1.00 73.33 H new ATOM 0 HG13 VAL A 12 11.133 -29.068 18.834 1.00 73.33 H new ATOM 0 HG21 VAL A 12 9.688 -30.398 21.231 1.00 44.55 H new ATOM 0 HG22 VAL A 12 8.914 -29.178 20.191 1.00 44.55 H new ATOM 0 HG23 VAL A 12 8.149 -30.769 20.417 1.00 44.55 H new ATOM 206 N GLU A 13 7.910 -32.727 17.996 1.00 52.21 N ATOM 207 CA GLU A 13 6.777 -33.671 18.037 1.00 23.24 C ATOM 208 C GLU A 13 5.712 -33.287 19.084 1.00 41.32 C ATOM 209 O GLU A 13 4.536 -33.106 18.753 1.00 52.21 O ATOM 210 CB GLU A 13 7.303 -35.083 18.337 1.00 53.31 C ATOM 211 CG GLU A 13 6.227 -36.170 18.361 1.00 53.31 C ATOM 212 CD GLU A 13 6.767 -37.530 18.785 1.00 74.33 C ATOM 213 OE1 GLU A 13 8.001 -37.731 18.739 1.00 44.23 O ATOM 214 OE2 GLU A 13 5.965 -38.406 19.163 1.00 23.21 O ATOM 0 H GLU A 13 8.822 -33.181 18.046 1.00 52.21 H new ATOM 0 HA GLU A 13 6.293 -33.636 17.061 1.00 23.24 H new ATOM 0 HB2 GLU A 13 8.050 -35.345 17.588 1.00 53.31 H new ATOM 0 HB3 GLU A 13 7.810 -35.071 19.302 1.00 53.31 H new ATOM 0 HG2 GLU A 13 5.432 -35.872 19.044 1.00 53.31 H new ATOM 0 HG3 GLU A 13 5.781 -36.255 17.370 1.00 53.31 H new ATOM 221 N LYS A 14 6.130 -33.169 20.345 1.00 12.04 N ATOM 222 CA LYS A 14 5.210 -32.868 21.453 1.00 42.32 C ATOM 223 C LYS A 14 4.423 -31.567 21.208 1.00 13.10 C ATOM 224 O LYS A 14 3.228 -31.493 21.493 1.00 35.12 O ATOM 225 CB LYS A 14 5.997 -32.799 22.776 1.00 50.12 C ATOM 226 CG LYS A 14 5.129 -32.742 24.039 1.00 22.23 C ATOM 227 CD LYS A 14 4.716 -31.315 24.391 1.00 72.21 C ATOM 228 CE LYS A 14 5.914 -30.452 24.765 1.00 21.11 C ATOM 229 NZ LYS A 14 5.517 -29.048 25.041 1.00 73.23 N ATOM 0 H LYS A 14 7.103 -33.277 20.630 1.00 12.04 H new ATOM 0 HA LYS A 14 4.476 -33.672 21.516 1.00 42.32 H new ATOM 0 HB2 LYS A 14 6.650 -33.670 22.840 1.00 50.12 H new ATOM 0 HB3 LYS A 14 6.640 -31.919 22.754 1.00 50.12 H new ATOM 0 HG2 LYS A 14 4.237 -33.351 23.892 1.00 22.23 H new ATOM 0 HG3 LYS A 14 5.678 -33.176 24.875 1.00 22.23 H new ATOM 0 HD2 LYS A 14 4.197 -30.868 23.543 1.00 72.21 H new ATOM 0 HD3 LYS A 14 4.010 -31.336 25.222 1.00 72.21 H new ATOM 0 HE2 LYS A 14 6.404 -30.871 25.644 1.00 21.11 H new ATOM 0 HE3 LYS A 14 6.643 -30.471 23.955 1.00 21.11 H new ATOM 0 HZ1 LYS A 14 6.359 -28.492 25.292 1.00 73.23 H new ATOM 0 HZ2 LYS A 14 5.073 -28.640 24.194 1.00 73.23 H new ATOM 0 HZ3 LYS A 14 4.841 -29.027 25.831 1.00 73.23 H new ATOM 243 N ALA A 15 5.092 -30.548 20.678 1.00 34.11 N ATOM 244 CA ALA A 15 4.426 -29.281 20.352 1.00 62.14 C ATOM 245 C ALA A 15 3.519 -29.432 19.123 1.00 14.22 C ATOM 246 O ALA A 15 2.415 -28.880 19.070 1.00 35.04 O ATOM 247 CB ALA A 15 5.463 -28.187 20.116 1.00 64.10 C ATOM 0 H ALA A 15 6.089 -30.569 20.464 1.00 34.11 H new ATOM 0 HA ALA A 15 3.800 -28.999 21.198 1.00 62.14 H new ATOM 0 HB1 ALA A 15 4.957 -27.252 19.875 1.00 64.10 H new ATOM 0 HB2 ALA A 15 6.063 -28.054 21.016 1.00 64.10 H new ATOM 0 HB3 ALA A 15 6.111 -28.473 19.288 1.00 64.10 H new ATOM 253 N LEU A 16 3.988 -30.207 18.150 1.00 61.34 N ATOM 254 CA LEU A 16 3.277 -30.402 16.886 1.00 60.54 C ATOM 255 C LEU A 16 1.911 -31.078 17.105 1.00 3.12 C ATOM 256 O LEU A 16 0.897 -30.634 16.557 1.00 23.44 O ATOM 257 CB LEU A 16 4.159 -31.229 15.925 1.00 43.34 C ATOM 258 CG LEU A 16 3.736 -31.248 14.437 1.00 34.54 C ATOM 259 CD1 LEU A 16 2.584 -32.220 14.182 1.00 31.45 C ATOM 260 CD2 LEU A 16 3.372 -29.839 13.969 1.00 30.42 C ATOM 0 H LEU A 16 4.869 -30.717 18.213 1.00 61.34 H new ATOM 0 HA LEU A 16 3.080 -29.427 16.441 1.00 60.54 H new ATOM 0 HB2 LEU A 16 5.178 -30.847 15.984 1.00 43.34 H new ATOM 0 HB3 LEU A 16 4.183 -32.257 16.285 1.00 43.34 H new ATOM 0 HG LEU A 16 4.588 -31.602 13.857 1.00 34.54 H new ATOM 0 HD11 LEU A 16 2.319 -32.201 13.125 1.00 31.45 H new ATOM 0 HD12 LEU A 16 2.890 -33.228 14.462 1.00 31.45 H new ATOM 0 HD13 LEU A 16 1.720 -31.925 14.778 1.00 31.45 H new ATOM 0 HD21 LEU A 16 3.077 -29.869 12.920 1.00 30.42 H new ATOM 0 HD22 LEU A 16 2.545 -29.459 14.568 1.00 30.42 H new ATOM 0 HD23 LEU A 16 4.235 -29.183 14.084 1.00 30.42 H new ATOM 272 N MET A 17 1.884 -32.144 17.908 1.00 2.25 N ATOM 273 CA MET A 17 0.635 -32.869 18.185 1.00 15.13 C ATOM 274 C MET A 17 -0.440 -31.938 18.773 1.00 54.20 C ATOM 275 O MET A 17 -1.624 -32.061 18.461 1.00 61.43 O ATOM 276 CB MET A 17 0.888 -34.053 19.135 1.00 71.41 C ATOM 277 CG MET A 17 1.308 -33.651 20.542 1.00 24.40 C ATOM 278 SD MET A 17 1.508 -35.065 21.647 1.00 71.43 S ATOM 279 CE MET A 17 2.911 -35.893 20.897 1.00 21.13 C ATOM 0 H MET A 17 2.706 -32.525 18.377 1.00 2.25 H new ATOM 0 HA MET A 17 0.266 -33.254 17.235 1.00 15.13 H new ATOM 0 HB2 MET A 17 -0.020 -34.654 19.197 1.00 71.41 H new ATOM 0 HB3 MET A 17 1.662 -34.689 18.705 1.00 71.41 H new ATOM 0 HG2 MET A 17 2.247 -33.100 20.492 1.00 24.40 H new ATOM 0 HG3 MET A 17 0.563 -32.973 20.959 1.00 24.40 H new ATOM 0 HE1 MET A 17 3.547 -36.311 21.678 1.00 21.13 H new ATOM 0 HE2 MET A 17 2.557 -36.695 20.250 1.00 21.13 H new ATOM 0 HE3 MET A 17 3.483 -35.177 20.307 1.00 21.13 H new ATOM 289 N VAL A 18 -0.012 -30.986 19.600 1.00 41.13 N ATOM 290 CA VAL A 18 -0.931 -30.036 20.231 1.00 44.45 C ATOM 291 C VAL A 18 -1.394 -28.957 19.231 1.00 52.20 C ATOM 292 O VAL A 18 -2.569 -28.575 19.202 1.00 42.13 O ATOM 293 CB VAL A 18 -0.269 -29.357 21.459 1.00 31.21 C ATOM 294 CG1 VAL A 18 -1.275 -28.486 22.211 1.00 33.53 C ATOM 295 CG2 VAL A 18 0.352 -30.401 22.389 1.00 40.22 C ATOM 0 H VAL A 18 0.968 -30.851 19.850 1.00 41.13 H new ATOM 0 HA VAL A 18 -1.802 -30.601 20.563 1.00 44.45 H new ATOM 0 HB VAL A 18 0.530 -28.710 21.096 1.00 31.21 H new ATOM 0 HG11 VAL A 18 -0.786 -28.022 23.067 1.00 33.53 H new ATOM 0 HG12 VAL A 18 -1.654 -27.711 21.545 1.00 33.53 H new ATOM 0 HG13 VAL A 18 -2.103 -29.104 22.558 1.00 33.53 H new ATOM 0 HG21 VAL A 18 0.810 -29.901 23.243 1.00 40.22 H new ATOM 0 HG22 VAL A 18 -0.423 -31.082 22.740 1.00 40.22 H new ATOM 0 HG23 VAL A 18 1.112 -30.964 21.848 1.00 40.22 H new ATOM 305 N ARG A 19 -0.463 -28.482 18.403 1.00 10.44 N ATOM 306 CA ARG A 19 -0.750 -27.431 17.413 1.00 12.10 C ATOM 307 C ARG A 19 -1.562 -27.952 16.212 1.00 33.42 C ATOM 308 O ARG A 19 -2.195 -27.170 15.501 1.00 52.35 O ATOM 309 CB ARG A 19 0.568 -26.809 16.921 1.00 22.32 C ATOM 310 CG ARG A 19 1.358 -26.050 17.995 1.00 33.24 C ATOM 311 CD ARG A 19 0.709 -24.715 18.364 1.00 2.32 C ATOM 312 NE ARG A 19 -0.595 -24.879 19.010 1.00 35.42 N ATOM 313 CZ ARG A 19 -1.552 -23.988 18.973 1.00 2.42 C ATOM 314 NH1 ARG A 19 -1.388 -22.867 18.349 1.00 42.05 N ATOM 315 NH2 ARG A 19 -2.678 -24.224 19.567 1.00 33.04 N ATOM 0 H ARG A 19 0.504 -28.808 18.395 1.00 10.44 H new ATOM 0 HA ARG A 19 -1.361 -26.677 17.910 1.00 12.10 H new ATOM 0 HB2 ARG A 19 1.199 -27.600 16.516 1.00 22.32 H new ATOM 0 HB3 ARG A 19 0.348 -26.126 16.100 1.00 22.32 H new ATOM 0 HG2 ARG A 19 1.440 -26.670 18.888 1.00 33.24 H new ATOM 0 HG3 ARG A 19 2.372 -25.871 17.637 1.00 33.24 H new ATOM 0 HD2 ARG A 19 1.373 -24.165 19.031 1.00 2.32 H new ATOM 0 HD3 ARG A 19 0.590 -24.112 17.464 1.00 2.32 H new ATOM 0 HE ARG A 19 -0.768 -25.744 19.522 1.00 35.42 H new ATOM 0 HH11 ARG A 19 -0.505 -22.670 17.879 1.00 42.05 H new ATOM 0 HH12 ARG A 19 -2.142 -22.180 18.327 1.00 42.05 H new ATOM 0 HH21 ARG A 19 -2.818 -25.104 20.063 1.00 33.04 H new ATOM 0 HH22 ARG A 19 -3.425 -23.530 19.539 1.00 33.04 H new ATOM 329 N THR A 20 -1.529 -29.262 15.970 1.00 22.22 N ATOM 330 CA THR A 20 -2.259 -29.856 14.831 1.00 33.14 C ATOM 331 C THR A 20 -3.482 -30.670 15.271 1.00 42.22 C ATOM 332 O THR A 20 -4.466 -30.757 14.538 1.00 61.12 O ATOM 333 CB THR A 20 -1.353 -30.789 14.000 1.00 73.52 C ATOM 334 OG1 THR A 20 -0.850 -31.845 14.832 1.00 4.50 O ATOM 335 CG2 THR A 20 -0.191 -30.022 13.381 1.00 53.30 C ATOM 0 H THR A 20 -1.012 -29.934 16.537 1.00 22.22 H new ATOM 0 HA THR A 20 -2.587 -29.008 14.230 1.00 33.14 H new ATOM 0 HB THR A 20 -1.950 -31.212 13.192 1.00 73.52 H new ATOM 0 HG1 THR A 20 -0.248 -31.470 15.509 1.00 4.50 H new ATOM 0 HG21 THR A 20 0.429 -30.706 12.802 1.00 53.30 H new ATOM 0 HG22 THR A 20 -0.578 -29.241 12.727 1.00 53.30 H new ATOM 0 HG23 THR A 20 0.408 -29.570 14.171 1.00 53.30 H new ATOM 343 N GLY A 21 -3.415 -31.271 16.460 1.00 22.15 N ATOM 344 CA GLY A 21 -4.494 -32.143 16.930 1.00 30.23 C ATOM 345 C GLY A 21 -4.190 -33.629 16.724 1.00 20.34 C ATOM 346 O GLY A 21 -5.010 -34.493 17.045 1.00 12.13 O ATOM 0 H GLY A 21 -2.635 -31.172 17.109 1.00 22.15 H new ATOM 0 HA2 GLY A 21 -4.670 -31.957 17.989 1.00 30.23 H new ATOM 0 HA3 GLY A 21 -5.415 -31.889 16.405 1.00 30.23 H new ATOM 350 N LEU A 22 -3.008 -33.922 16.182 1.00 64.41 N ATOM 351 CA LEU A 22 -2.563 -35.306 15.959 1.00 51.22 C ATOM 352 C LEU A 22 -2.059 -35.953 17.262 1.00 61.20 C ATOM 353 O LEU A 22 -1.925 -35.288 18.289 1.00 4.22 O ATOM 354 CB LEU A 22 -1.446 -35.341 14.898 1.00 52.05 C ATOM 355 CG LEU A 22 -1.903 -35.263 13.427 1.00 24.15 C ATOM 356 CD1 LEU A 22 -2.816 -34.064 13.180 1.00 73.53 C ATOM 357 CD2 LEU A 22 -0.691 -35.212 12.495 1.00 34.43 C ATOM 0 H LEU A 22 -2.334 -33.216 15.886 1.00 64.41 H new ATOM 0 HA LEU A 22 -3.422 -35.876 15.605 1.00 51.22 H new ATOM 0 HB2 LEU A 22 -0.765 -34.512 15.090 1.00 52.05 H new ATOM 0 HB3 LEU A 22 -0.875 -36.260 15.031 1.00 52.05 H new ATOM 0 HG LEU A 22 -2.479 -36.164 13.213 1.00 24.15 H new ATOM 0 HD11 LEU A 22 -3.116 -34.045 12.132 1.00 73.53 H new ATOM 0 HD12 LEU A 22 -3.702 -34.146 13.810 1.00 73.53 H new ATOM 0 HD13 LEU A 22 -2.283 -33.145 13.422 1.00 73.53 H new ATOM 0 HD21 LEU A 22 -1.030 -35.157 11.460 1.00 34.43 H new ATOM 0 HD22 LEU A 22 -0.090 -34.333 12.727 1.00 34.43 H new ATOM 0 HD23 LEU A 22 -0.088 -36.110 12.632 1.00 34.43 H new ATOM 369 N GLY A 23 -1.785 -37.255 17.209 1.00 25.41 N ATOM 370 CA GLY A 23 -1.205 -37.956 18.351 1.00 25.23 C ATOM 371 C GLY A 23 0.217 -38.435 18.074 1.00 12.15 C ATOM 372 O GLY A 23 0.622 -38.547 16.913 1.00 44.43 O ATOM 0 H GLY A 23 -1.954 -37.842 16.392 1.00 25.41 H new ATOM 0 HA2 GLY A 23 -1.201 -37.294 19.217 1.00 25.23 H new ATOM 0 HA3 GLY A 23 -1.831 -38.811 18.606 1.00 25.23 H new ATOM 376 N ALA A 24 0.971 -38.729 19.133 1.00 4.52 N ATOM 377 CA ALA A 24 2.362 -39.187 19.005 1.00 51.23 C ATOM 378 C ALA A 24 2.493 -40.362 18.026 1.00 12.43 C ATOM 379 O ALA A 24 3.338 -40.346 17.127 1.00 61.44 O ATOM 380 CB ALA A 24 2.906 -39.585 20.373 1.00 22.03 C ATOM 0 H ALA A 24 0.643 -38.659 20.096 1.00 4.52 H new ATOM 0 HA ALA A 24 2.946 -38.359 18.604 1.00 51.23 H new ATOM 0 HB1 ALA A 24 3.937 -39.923 20.270 1.00 22.03 H new ATOM 0 HB2 ALA A 24 2.871 -38.726 21.043 1.00 22.03 H new ATOM 0 HB3 ALA A 24 2.299 -40.391 20.785 1.00 22.03 H new ATOM 386 N ARG A 25 1.631 -41.368 18.189 1.00 24.31 N ATOM 387 CA ARG A 25 1.664 -42.569 17.341 1.00 3.13 C ATOM 388 C ARG A 25 1.357 -42.236 15.872 1.00 2.13 C ATOM 389 O ARG A 25 1.756 -42.965 14.960 1.00 34.01 O ATOM 390 CB ARG A 25 0.658 -43.611 17.850 1.00 3.42 C ATOM 391 CG ARG A 25 -0.796 -43.157 17.754 1.00 15.53 C ATOM 392 CD ARG A 25 -1.770 -44.268 18.132 1.00 64.25 C ATOM 393 NE ARG A 25 -3.163 -43.834 18.035 1.00 40.20 N ATOM 394 CZ ARG A 25 -4.167 -44.643 17.836 1.00 23.11 C ATOM 395 NH1 ARG A 25 -3.967 -45.909 17.650 1.00 12.03 N ATOM 396 NH2 ARG A 25 -5.375 -44.184 17.803 1.00 51.10 N ATOM 0 H ARG A 25 0.900 -41.378 18.900 1.00 24.31 H new ATOM 0 HA ARG A 25 2.673 -42.977 17.396 1.00 3.13 H new ATOM 0 HB2 ARG A 25 0.781 -44.531 17.279 1.00 3.42 H new ATOM 0 HB3 ARG A 25 0.888 -43.848 18.889 1.00 3.42 H new ATOM 0 HG2 ARG A 25 -0.952 -42.300 18.410 1.00 15.53 H new ATOM 0 HG3 ARG A 25 -1.005 -42.823 16.738 1.00 15.53 H new ATOM 0 HD2 ARG A 25 -1.612 -45.126 17.479 1.00 64.25 H new ATOM 0 HD3 ARG A 25 -1.564 -44.600 19.150 1.00 64.25 H new ATOM 0 HE ARG A 25 -3.362 -42.838 18.129 1.00 40.20 H new ATOM 0 HH11 ARG A 25 -3.018 -46.282 17.658 1.00 12.03 H new ATOM 0 HH12 ARG A 25 -4.759 -46.533 17.495 1.00 12.03 H new ATOM 0 HH21 ARG A 25 -5.545 -43.187 17.933 1.00 51.10 H new ATOM 0 HH22 ARG A 25 -6.158 -44.819 17.647 1.00 51.10 H new ATOM 410 N GLN A 26 0.639 -41.139 15.651 1.00 70.42 N ATOM 411 CA GLN A 26 0.247 -40.729 14.301 1.00 75.01 C ATOM 412 C GLN A 26 1.374 -39.930 13.625 1.00 31.03 C ATOM 413 O GLN A 26 1.665 -40.122 12.442 1.00 62.12 O ATOM 414 CB GLN A 26 -1.047 -39.901 14.364 1.00 2.42 C ATOM 415 CG GLN A 26 -1.722 -39.699 13.012 1.00 4.15 C ATOM 416 CD GLN A 26 -3.036 -38.943 13.119 1.00 32.31 C ATOM 417 OE1 GLN A 26 -3.727 -39.012 14.132 1.00 3.42 O ATOM 418 NE2 GLN A 26 -3.400 -38.226 12.076 1.00 50.03 N ATOM 0 H GLN A 26 0.315 -40.515 16.390 1.00 70.42 H new ATOM 0 HA GLN A 26 0.065 -41.621 13.701 1.00 75.01 H new ATOM 0 HB2 GLN A 26 -1.748 -40.393 15.038 1.00 2.42 H new ATOM 0 HB3 GLN A 26 -0.821 -38.926 14.795 1.00 2.42 H new ATOM 0 HG2 GLN A 26 -1.047 -39.155 12.351 1.00 4.15 H new ATOM 0 HG3 GLN A 26 -1.903 -40.671 12.552 1.00 4.15 H new ATOM 0 HE21 GLN A 26 -2.804 -38.189 11.249 1.00 50.03 H new ATOM 0 HE22 GLN A 26 -4.278 -37.708 12.095 1.00 50.03 H new ATOM 427 N ILE A 27 2.016 -39.046 14.392 1.00 31.54 N ATOM 428 CA ILE A 27 3.136 -38.241 13.886 1.00 74.33 C ATOM 429 C ILE A 27 4.309 -39.128 13.444 1.00 50.01 C ATOM 430 O ILE A 27 4.806 -39.009 12.321 1.00 61.43 O ATOM 431 CB ILE A 27 3.640 -37.237 14.956 1.00 0.23 C ATOM 432 CG1 ILE A 27 2.512 -36.278 15.368 1.00 74.23 C ATOM 433 CG2 ILE A 27 4.853 -36.456 14.439 1.00 34.12 C ATOM 434 CD1 ILE A 27 2.916 -35.290 16.444 1.00 70.13 C ATOM 0 H ILE A 27 1.781 -38.867 15.368 1.00 31.54 H new ATOM 0 HA ILE A 27 2.759 -37.689 13.025 1.00 74.33 H new ATOM 0 HB ILE A 27 3.950 -37.801 15.836 1.00 0.23 H new ATOM 0 HG12 ILE A 27 2.176 -35.728 14.489 1.00 74.23 H new ATOM 0 HG13 ILE A 27 1.662 -36.861 15.723 1.00 74.23 H new ATOM 0 HG21 ILE A 27 5.190 -35.758 15.205 1.00 34.12 H new ATOM 0 HG22 ILE A 27 5.659 -37.151 14.202 1.00 34.12 H new ATOM 0 HG23 ILE A 27 4.574 -35.903 13.542 1.00 34.12 H new ATOM 0 HD11 ILE A 27 2.070 -34.646 16.683 1.00 70.13 H new ATOM 0 HD12 ILE A 27 3.224 -35.832 17.338 1.00 70.13 H new ATOM 0 HD13 ILE A 27 3.745 -34.680 16.085 1.00 70.13 H new ATOM 446 N GLU A 28 4.743 -40.020 14.334 1.00 4.41 N ATOM 447 CA GLU A 28 5.858 -40.928 14.036 1.00 50.44 C ATOM 448 C GLU A 28 5.571 -41.787 12.796 1.00 52.44 C ATOM 449 O GLU A 28 6.482 -42.130 12.044 1.00 23.10 O ATOM 450 CB GLU A 28 6.171 -41.815 15.252 1.00 3.35 C ATOM 451 CG GLU A 28 5.007 -42.679 15.721 1.00 21.24 C ATOM 452 CD GLU A 28 5.356 -43.498 16.956 1.00 11.31 C ATOM 453 OE1 GLU A 28 5.524 -42.903 18.043 1.00 71.44 O ATOM 454 OE2 GLU A 28 5.467 -44.738 16.847 1.00 3.20 O ATOM 0 H GLU A 28 4.343 -40.136 15.265 1.00 4.41 H new ATOM 0 HA GLU A 28 6.734 -40.317 13.816 1.00 50.44 H new ATOM 0 HB2 GLU A 28 7.012 -42.463 15.006 1.00 3.35 H new ATOM 0 HB3 GLU A 28 6.490 -41.179 16.077 1.00 3.35 H new ATOM 0 HG2 GLU A 28 4.150 -42.042 15.940 1.00 21.24 H new ATOM 0 HG3 GLU A 28 4.708 -43.350 14.916 1.00 21.24 H new ATOM 461 N SER A 29 4.299 -42.117 12.581 1.00 60.32 N ATOM 462 CA SER A 29 3.881 -42.853 11.379 1.00 72.33 C ATOM 463 C SER A 29 4.205 -42.050 10.110 1.00 12.42 C ATOM 464 O SER A 29 4.708 -42.594 9.126 1.00 11.43 O ATOM 465 CB SER A 29 2.373 -43.158 11.425 1.00 41.30 C ATOM 466 OG SER A 29 1.954 -43.907 10.289 1.00 51.23 O ATOM 0 H SER A 29 3.537 -41.889 13.220 1.00 60.32 H new ATOM 0 HA SER A 29 4.433 -43.793 11.355 1.00 72.33 H new ATOM 0 HB2 SER A 29 2.141 -43.714 12.333 1.00 41.30 H new ATOM 0 HB3 SER A 29 1.814 -42.224 11.472 1.00 41.30 H new ATOM 0 HG SER A 29 0.992 -44.085 10.351 1.00 51.23 H new ATOM 472 N TYR A 30 3.919 -40.749 10.142 1.00 10.43 N ATOM 473 CA TYR A 30 4.192 -39.867 8.996 1.00 73.12 C ATOM 474 C TYR A 30 5.700 -39.630 8.805 1.00 33.21 C ATOM 475 O TYR A 30 6.164 -39.380 7.690 1.00 74.14 O ATOM 476 CB TYR A 30 3.475 -38.522 9.163 1.00 32.20 C ATOM 477 CG TYR A 30 1.967 -38.633 9.292 1.00 43.20 C ATOM 478 CD1 TYR A 30 1.227 -39.436 8.427 1.00 42.53 C ATOM 479 CD2 TYR A 30 1.284 -37.934 10.281 1.00 2.40 C ATOM 480 CE1 TYR A 30 -0.145 -39.537 8.547 1.00 61.42 C ATOM 481 CE2 TYR A 30 -0.087 -38.031 10.405 1.00 44.24 C ATOM 482 CZ TYR A 30 -0.797 -38.833 9.538 1.00 64.51 C ATOM 483 OH TYR A 30 -2.165 -38.928 9.661 1.00 32.11 O ATOM 0 H TYR A 30 3.500 -40.279 10.944 1.00 10.43 H new ATOM 0 HA TYR A 30 3.811 -40.370 8.107 1.00 73.12 H new ATOM 0 HB2 TYR A 30 3.868 -38.021 10.047 1.00 32.20 H new ATOM 0 HB3 TYR A 30 3.710 -37.889 8.307 1.00 32.20 H new ATOM 0 HD1 TYR A 30 1.734 -39.988 7.650 1.00 42.53 H new ATOM 0 HD2 TYR A 30 1.836 -37.305 10.964 1.00 2.40 H new ATOM 0 HE1 TYR A 30 -0.705 -40.164 7.869 1.00 61.42 H new ATOM 0 HE2 TYR A 30 -0.602 -37.480 11.179 1.00 44.24 H new ATOM 0 HH TYR A 30 -2.460 -39.811 9.355 1.00 32.11 H new ATOM 493 N ARG A 31 6.459 -39.713 9.896 1.00 15.13 N ATOM 494 CA ARG A 31 7.920 -39.556 9.839 1.00 21.02 C ATOM 495 C ARG A 31 8.590 -40.706 9.069 1.00 3.42 C ATOM 496 O ARG A 31 9.783 -40.653 8.769 1.00 75.24 O ATOM 497 CB ARG A 31 8.515 -39.450 11.252 1.00 20.30 C ATOM 498 CG ARG A 31 8.036 -38.223 12.028 1.00 75.30 C ATOM 499 CD ARG A 31 8.844 -37.988 13.303 1.00 71.03 C ATOM 500 NE ARG A 31 8.735 -39.089 14.258 1.00 32.31 N ATOM 501 CZ ARG A 31 8.602 -38.928 15.550 1.00 5.34 C ATOM 502 NH1 ARG A 31 8.566 -37.743 16.067 1.00 5.43 N ATOM 503 NH2 ARG A 31 8.525 -39.956 16.327 1.00 52.32 N ATOM 0 H ARG A 31 6.092 -39.888 10.831 1.00 15.13 H new ATOM 0 HA ARG A 31 8.121 -38.630 9.300 1.00 21.02 H new ATOM 0 HB2 ARG A 31 8.258 -40.348 11.814 1.00 20.30 H new ATOM 0 HB3 ARG A 31 9.602 -39.421 11.178 1.00 20.30 H new ATOM 0 HG2 ARG A 31 8.106 -37.342 11.389 1.00 75.30 H new ATOM 0 HG3 ARG A 31 6.984 -38.347 12.285 1.00 75.30 H new ATOM 0 HD2 ARG A 31 9.892 -37.844 13.041 1.00 71.03 H new ATOM 0 HD3 ARG A 31 8.504 -37.067 13.778 1.00 71.03 H new ATOM 0 HE ARG A 31 8.764 -40.042 13.895 1.00 32.31 H new ATOM 0 HH11 ARG A 31 8.642 -36.922 15.466 1.00 5.43 H new ATOM 0 HH12 ARG A 31 8.462 -37.629 17.075 1.00 5.43 H new ATOM 0 HH21 ARG A 31 8.568 -40.896 15.934 1.00 52.32 H new ATOM 0 HH22 ARG A 31 8.421 -39.828 17.334 1.00 52.32 H new ATOM 517 N GLN A 32 7.819 -41.749 8.765 1.00 44.33 N ATOM 518 CA GLN A 32 8.332 -42.902 8.018 1.00 20.13 C ATOM 519 C GLN A 32 8.271 -42.679 6.496 1.00 54.11 C ATOM 520 O GLN A 32 8.819 -43.474 5.729 1.00 25.14 O ATOM 521 CB GLN A 32 7.541 -44.166 8.388 1.00 71.54 C ATOM 522 CG GLN A 32 7.529 -44.465 9.884 1.00 35.00 C ATOM 523 CD GLN A 32 6.753 -45.725 10.235 1.00 74.35 C ATOM 524 OE1 GLN A 32 5.803 -46.105 9.552 1.00 64.53 O ATOM 525 NE2 GLN A 32 7.143 -46.382 11.310 1.00 11.44 N ATOM 0 H GLN A 32 6.835 -41.822 9.024 1.00 44.33 H new ATOM 0 HA GLN A 32 9.379 -43.027 8.294 1.00 20.13 H new ATOM 0 HB2 GLN A 32 6.514 -44.056 8.040 1.00 71.54 H new ATOM 0 HB3 GLN A 32 7.967 -45.019 7.859 1.00 71.54 H new ATOM 0 HG2 GLN A 32 8.555 -44.568 10.236 1.00 35.00 H new ATOM 0 HG3 GLN A 32 7.094 -43.618 10.414 1.00 35.00 H new ATOM 0 HE21 GLN A 32 7.935 -46.042 11.856 1.00 11.44 H new ATOM 0 HE22 GLN A 32 6.653 -47.230 11.595 1.00 11.44 H new ATOM 534 N GLY A 33 7.607 -41.610 6.052 1.00 70.00 N ATOM 535 CA GLY A 33 7.474 -41.369 4.614 1.00 4.32 C ATOM 536 C GLY A 33 6.998 -39.962 4.248 1.00 63.41 C ATOM 537 O GLY A 33 7.577 -39.316 3.370 1.00 52.12 O ATOM 0 H GLY A 33 7.163 -40.913 6.650 1.00 70.00 H new ATOM 0 HA2 GLY A 33 8.438 -41.548 4.138 1.00 4.32 H new ATOM 0 HA3 GLY A 33 6.774 -42.095 4.200 1.00 4.32 H new ATOM 541 N ALA A 34 5.937 -39.492 4.906 1.00 4.12 N ATOM 542 CA ALA A 34 5.337 -38.183 4.595 1.00 61.40 C ATOM 543 C ALA A 34 6.284 -37.014 4.912 1.00 42.31 C ATOM 544 O ALA A 34 6.274 -35.988 4.227 1.00 22.42 O ATOM 545 CB ALA A 34 4.022 -38.014 5.352 1.00 74.42 C ATOM 0 H ALA A 34 5.471 -39.996 5.660 1.00 4.12 H new ATOM 0 HA ALA A 34 5.147 -38.162 3.522 1.00 61.40 H new ATOM 0 HB1 ALA A 34 3.588 -37.043 5.114 1.00 74.42 H new ATOM 0 HB2 ALA A 34 3.329 -38.803 5.059 1.00 74.42 H new ATOM 0 HB3 ALA A 34 4.209 -38.075 6.424 1.00 74.42 H new ATOM 551 N TRP A 35 7.082 -37.167 5.965 1.00 72.02 N ATOM 552 CA TRP A 35 8.074 -36.153 6.341 1.00 14.33 C ATOM 553 C TRP A 35 9.250 -36.133 5.348 1.00 72.43 C ATOM 554 O TRP A 35 9.655 -37.170 4.823 1.00 12.32 O ATOM 555 CB TRP A 35 8.578 -36.407 7.775 1.00 73.43 C ATOM 556 CG TRP A 35 7.794 -35.702 8.857 1.00 55.03 C ATOM 557 CD1 TRP A 35 8.304 -35.204 10.024 1.00 72.42 C ATOM 558 CD2 TRP A 35 6.383 -35.405 8.883 1.00 13.23 C ATOM 559 NE1 TRP A 35 7.308 -34.632 10.773 1.00 63.41 N ATOM 560 CE2 TRP A 35 6.123 -34.739 10.097 1.00 52.44 C ATOM 561 CE3 TRP A 35 5.315 -35.635 8.009 1.00 22.01 C ATOM 562 CZ2 TRP A 35 4.849 -34.304 10.454 1.00 33.40 C ATOM 563 CZ3 TRP A 35 4.052 -35.201 8.364 1.00 21.02 C ATOM 564 CH2 TRP A 35 3.829 -34.543 9.577 1.00 72.11 C ATOM 0 H TRP A 35 7.064 -37.983 6.577 1.00 72.02 H new ATOM 0 HA TRP A 35 7.593 -35.176 6.307 1.00 14.33 H new ATOM 0 HB2 TRP A 35 8.554 -37.479 7.969 1.00 73.43 H new ATOM 0 HB3 TRP A 35 9.620 -36.095 7.839 1.00 73.43 H new ATOM 0 HD1 TRP A 35 9.343 -35.254 10.314 1.00 72.42 H new ATOM 0 HE1 TRP A 35 7.431 -34.197 11.687 1.00 63.41 H new ATOM 0 HE3 TRP A 35 5.475 -36.144 7.070 1.00 22.01 H new ATOM 0 HZ2 TRP A 35 4.674 -33.796 11.391 1.00 33.40 H new ATOM 0 HZ3 TRP A 35 3.223 -35.373 7.693 1.00 21.02 H new ATOM 0 HH2 TRP A 35 2.830 -34.217 9.826 1.00 72.11 H new ATOM 575 N ILE A 36 9.803 -34.941 5.111 1.00 20.11 N ATOM 576 CA ILE A 36 10.848 -34.739 4.090 1.00 25.02 C ATOM 577 C ILE A 36 11.942 -33.782 4.593 1.00 73.30 C ATOM 578 O ILE A 36 11.637 -32.706 5.122 1.00 45.13 O ATOM 579 CB ILE A 36 10.250 -34.170 2.771 1.00 34.13 C ATOM 580 CG1 ILE A 36 9.239 -35.159 2.164 1.00 45.12 C ATOM 581 CG2 ILE A 36 11.360 -33.851 1.765 1.00 70.43 C ATOM 582 CD1 ILE A 36 8.556 -34.652 0.911 1.00 31.31 C ATOM 0 H ILE A 36 9.546 -34.092 5.614 1.00 20.11 H new ATOM 0 HA ILE A 36 11.287 -35.717 3.893 1.00 25.02 H new ATOM 0 HB ILE A 36 9.726 -33.244 3.007 1.00 34.13 H new ATOM 0 HG12 ILE A 36 9.753 -36.092 1.933 1.00 45.12 H new ATOM 0 HG13 ILE A 36 8.480 -35.390 2.911 1.00 45.12 H new ATOM 0 HG21 ILE A 36 10.919 -33.455 0.850 1.00 70.43 H new ATOM 0 HG22 ILE A 36 12.037 -33.111 2.192 1.00 70.43 H new ATOM 0 HG23 ILE A 36 11.915 -34.760 1.535 1.00 70.43 H new ATOM 0 HD11 ILE A 36 7.860 -35.407 0.545 1.00 31.31 H new ATOM 0 HD12 ILE A 36 8.011 -33.736 1.139 1.00 31.31 H new ATOM 0 HD13 ILE A 36 9.305 -34.448 0.146 1.00 31.31 H new ATOM 594 N GLU A 37 13.208 -34.175 4.415 1.00 14.53 N ATOM 595 CA GLU A 37 14.357 -33.366 4.862 1.00 61.11 C ATOM 596 C GLU A 37 14.332 -31.949 4.259 1.00 12.13 C ATOM 597 O GLU A 37 14.092 -31.770 3.063 1.00 51.33 O ATOM 598 CB GLU A 37 15.679 -34.058 4.489 1.00 42.11 C ATOM 599 CG GLU A 37 15.804 -35.490 5.002 1.00 22.13 C ATOM 600 CD GLU A 37 17.151 -36.116 4.667 1.00 72.11 C ATOM 601 OE1 GLU A 37 17.443 -36.315 3.467 1.00 32.33 O ATOM 602 OE2 GLU A 37 17.926 -36.418 5.600 1.00 31.21 O ATOM 0 H GLU A 37 13.468 -35.052 3.963 1.00 14.53 H new ATOM 0 HA GLU A 37 14.283 -33.275 5.946 1.00 61.11 H new ATOM 0 HB2 GLU A 37 15.779 -34.063 3.404 1.00 42.11 H new ATOM 0 HB3 GLU A 37 16.508 -33.470 4.883 1.00 42.11 H new ATOM 0 HG2 GLU A 37 15.662 -35.499 6.083 1.00 22.13 H new ATOM 0 HG3 GLU A 37 15.008 -36.097 4.571 1.00 22.13 H new ATOM 609 N GLY A 38 14.568 -30.943 5.098 1.00 51.33 N ATOM 610 CA GLY A 38 14.595 -29.557 4.638 1.00 20.11 C ATOM 611 C GLY A 38 13.202 -28.960 4.434 1.00 24.34 C ATOM 612 O GLY A 38 12.871 -27.919 5.006 1.00 41.11 O ATOM 0 H GLY A 38 14.743 -31.061 6.096 1.00 51.33 H new ATOM 0 HA2 GLY A 38 15.140 -28.952 5.363 1.00 20.11 H new ATOM 0 HA3 GLY A 38 15.147 -29.504 3.699 1.00 20.11 H new ATOM 616 N VAL A 39 12.389 -29.624 3.617 1.00 14.43 N ATOM 617 CA VAL A 39 11.047 -29.138 3.282 1.00 70.40 C ATOM 618 C VAL A 39 10.083 -29.228 4.480 1.00 13.31 C ATOM 619 O VAL A 39 9.581 -28.214 4.965 1.00 72.03 O ATOM 620 CB VAL A 39 10.446 -29.938 2.100 1.00 62.12 C ATOM 621 CG1 VAL A 39 9.153 -29.290 1.608 1.00 1.30 C ATOM 622 CG2 VAL A 39 11.459 -30.079 0.965 1.00 24.25 C ATOM 0 H VAL A 39 12.636 -30.507 3.170 1.00 14.43 H new ATOM 0 HA VAL A 39 11.161 -28.091 3.001 1.00 70.40 H new ATOM 0 HB VAL A 39 10.204 -30.939 2.456 1.00 62.12 H new ATOM 0 HG11 VAL A 39 8.749 -29.869 0.778 1.00 1.30 H new ATOM 0 HG12 VAL A 39 8.427 -29.265 2.420 1.00 1.30 H new ATOM 0 HG13 VAL A 39 9.360 -28.273 1.275 1.00 1.30 H new ATOM 0 HG21 VAL A 39 11.013 -30.645 0.147 1.00 24.25 H new ATOM 0 HG22 VAL A 39 11.746 -29.090 0.608 1.00 24.25 H new ATOM 0 HG23 VAL A 39 12.343 -30.603 1.329 1.00 24.25 H new ATOM 632 N HIS A 40 9.827 -30.452 4.951 1.00 71.24 N ATOM 633 CA HIS A 40 8.847 -30.682 6.025 1.00 0.32 C ATOM 634 C HIS A 40 9.499 -30.742 7.422 1.00 44.15 C ATOM 635 O HIS A 40 8.793 -30.788 8.429 1.00 24.12 O ATOM 636 CB HIS A 40 8.044 -31.966 5.749 1.00 50.24 C ATOM 637 CG HIS A 40 6.928 -31.799 4.753 1.00 41.55 C ATOM 638 ND1 HIS A 40 7.133 -31.597 3.405 1.00 74.32 N ATOM 639 CD2 HIS A 40 5.580 -31.813 4.921 1.00 21.42 C ATOM 640 CE1 HIS A 40 5.969 -31.493 2.794 1.00 72.11 C ATOM 641 NE2 HIS A 40 5.011 -31.621 3.685 1.00 72.42 N ATOM 0 H HIS A 40 10.281 -31.299 4.609 1.00 71.24 H new ATOM 0 HA HIS A 40 8.171 -29.827 6.029 1.00 0.32 H new ATOM 0 HB2 HIS A 40 8.726 -32.736 5.387 1.00 50.24 H new ATOM 0 HB3 HIS A 40 7.625 -32.327 6.688 1.00 50.24 H new ATOM 0 HD2 HIS A 40 5.053 -31.950 5.854 1.00 21.42 H new ATOM 0 HE1 HIS A 40 5.826 -31.330 1.736 1.00 72.11 H new ATOM 0 HE2 HIS A 40 4.010 -31.584 3.491 1.00 72.42 H new ATOM 650 N PHE A 41 10.833 -30.750 7.483 1.00 73.41 N ATOM 651 CA PHE A 41 11.552 -30.679 8.769 1.00 30.41 C ATOM 652 C PHE A 41 13.033 -30.324 8.567 1.00 73.11 C ATOM 653 O PHE A 41 13.597 -30.569 7.504 1.00 31.53 O ATOM 654 CB PHE A 41 11.427 -32.001 9.553 1.00 33.33 C ATOM 655 CG PHE A 41 12.109 -33.197 8.919 1.00 60.43 C ATOM 656 CD1 PHE A 41 13.476 -33.405 9.076 1.00 62.53 C ATOM 657 CD2 PHE A 41 11.381 -34.125 8.187 1.00 74.25 C ATOM 658 CE1 PHE A 41 14.096 -34.505 8.515 1.00 62.15 C ATOM 659 CE2 PHE A 41 12.000 -35.230 7.628 1.00 41.43 C ATOM 660 CZ PHE A 41 13.358 -35.419 7.791 1.00 23.00 C ATOM 0 H PHE A 41 11.439 -30.804 6.665 1.00 73.41 H new ATOM 0 HA PHE A 41 11.086 -29.885 9.352 1.00 30.41 H new ATOM 0 HB2 PHE A 41 11.842 -31.853 10.550 1.00 33.33 H new ATOM 0 HB3 PHE A 41 10.369 -32.231 9.679 1.00 33.33 H new ATOM 0 HD1 PHE A 41 14.060 -32.697 9.644 1.00 62.53 H new ATOM 0 HD2 PHE A 41 10.319 -33.983 8.052 1.00 74.25 H new ATOM 0 HE1 PHE A 41 15.159 -34.650 8.643 1.00 62.15 H new ATOM 0 HE2 PHE A 41 11.420 -35.945 7.064 1.00 41.43 H new ATOM 0 HZ PHE A 41 13.841 -36.280 7.353 1.00 23.00 H new ATOM 670 N LYS A 42 13.660 -29.753 9.596 1.00 24.12 N ATOM 671 CA LYS A 42 15.087 -29.401 9.537 1.00 32.14 C ATOM 672 C LYS A 42 15.878 -30.064 10.679 1.00 24.41 C ATOM 673 O LYS A 42 15.317 -30.411 11.721 1.00 0.21 O ATOM 674 CB LYS A 42 15.267 -27.878 9.603 1.00 44.24 C ATOM 675 CG LYS A 42 14.843 -27.268 10.935 1.00 74.11 C ATOM 676 CD LYS A 42 15.153 -25.773 11.006 1.00 3.52 C ATOM 677 CE LYS A 42 14.775 -25.181 12.360 1.00 21.14 C ATOM 678 NZ LYS A 42 15.143 -23.745 12.473 1.00 63.42 N ATOM 0 H LYS A 42 13.207 -29.523 10.480 1.00 24.12 H new ATOM 0 HA LYS A 42 15.477 -29.771 8.589 1.00 32.14 H new ATOM 0 HB2 LYS A 42 16.314 -27.636 9.420 1.00 44.24 H new ATOM 0 HB3 LYS A 42 14.689 -27.418 8.802 1.00 44.24 H new ATOM 0 HG2 LYS A 42 13.774 -27.424 11.081 1.00 74.11 H new ATOM 0 HG3 LYS A 42 15.354 -27.783 11.748 1.00 74.11 H new ATOM 0 HD2 LYS A 42 16.215 -25.613 10.823 1.00 3.52 H new ATOM 0 HD3 LYS A 42 14.611 -25.251 10.217 1.00 3.52 H new ATOM 0 HE2 LYS A 42 13.702 -25.292 12.515 1.00 21.14 H new ATOM 0 HE3 LYS A 42 15.271 -25.744 13.151 1.00 21.14 H new ATOM 0 HZ1 LYS A 42 14.866 -23.388 13.410 1.00 63.42 H new ATOM 0 HZ2 LYS A 42 16.171 -23.639 12.352 1.00 63.42 H new ATOM 0 HZ3 LYS A 42 14.650 -23.201 11.736 1.00 63.42 H new ATOM 692 N ARG A 43 17.189 -30.215 10.481 1.00 32.33 N ATOM 693 CA ARG A 43 18.064 -30.856 11.473 1.00 3.13 C ATOM 694 C ARG A 43 18.914 -29.819 12.227 1.00 71.23 C ATOM 695 O ARG A 43 19.757 -29.141 11.638 1.00 53.53 O ATOM 696 CB ARG A 43 18.975 -31.876 10.774 1.00 75.21 C ATOM 697 CG ARG A 43 20.019 -32.513 11.689 1.00 51.54 C ATOM 698 CD ARG A 43 20.936 -33.460 10.922 1.00 40.11 C ATOM 699 NE ARG A 43 22.061 -33.919 11.737 1.00 54.52 N ATOM 700 CZ ARG A 43 23.285 -34.033 11.295 1.00 12.14 C ATOM 701 NH1 ARG A 43 23.566 -33.785 10.057 1.00 2.54 N ATOM 702 NH2 ARG A 43 24.230 -34.407 12.094 1.00 62.23 N ATOM 0 H ARG A 43 17.673 -29.901 9.640 1.00 32.33 H new ATOM 0 HA ARG A 43 17.436 -31.365 12.204 1.00 3.13 H new ATOM 0 HB2 ARG A 43 18.357 -32.664 10.343 1.00 75.21 H new ATOM 0 HB3 ARG A 43 19.486 -31.383 9.947 1.00 75.21 H new ATOM 0 HG2 ARG A 43 20.615 -31.732 12.161 1.00 51.54 H new ATOM 0 HG3 ARG A 43 19.518 -33.059 12.489 1.00 51.54 H new ATOM 0 HD2 ARG A 43 20.362 -34.321 10.580 1.00 40.11 H new ATOM 0 HD3 ARG A 43 21.315 -32.956 10.033 1.00 40.11 H new ATOM 0 HE ARG A 43 21.878 -34.165 12.710 1.00 54.52 H new ATOM 0 HH11 ARG A 43 22.828 -33.497 9.414 1.00 2.54 H new ATOM 0 HH12 ARG A 43 24.525 -33.877 9.723 1.00 2.54 H new ATOM 0 HH21 ARG A 43 24.020 -34.613 13.071 1.00 62.23 H new ATOM 0 HH22 ARG A 43 25.185 -34.496 11.748 1.00 62.23 H new ATOM 716 N VAL A 44 18.699 -29.708 13.536 1.00 54.23 N ATOM 717 CA VAL A 44 19.447 -28.759 14.374 1.00 34.23 C ATOM 718 C VAL A 44 20.306 -29.485 15.424 1.00 24.42 C ATOM 719 O VAL A 44 19.845 -30.414 16.088 1.00 14.00 O ATOM 720 CB VAL A 44 18.485 -27.769 15.082 1.00 44.53 C ATOM 721 CG1 VAL A 44 19.247 -26.824 16.010 1.00 54.31 C ATOM 722 CG2 VAL A 44 17.673 -26.982 14.054 1.00 23.02 C ATOM 0 H VAL A 44 18.012 -30.263 14.046 1.00 54.23 H new ATOM 0 HA VAL A 44 20.110 -28.202 13.712 1.00 34.23 H new ATOM 0 HB VAL A 44 17.796 -28.350 15.694 1.00 44.53 H new ATOM 0 HG11 VAL A 44 18.545 -26.143 16.491 1.00 54.31 H new ATOM 0 HG12 VAL A 44 19.769 -27.404 16.771 1.00 54.31 H new ATOM 0 HG13 VAL A 44 19.970 -26.250 15.431 1.00 54.31 H new ATOM 0 HG21 VAL A 44 17.004 -26.293 14.569 1.00 23.02 H new ATOM 0 HG22 VAL A 44 18.349 -26.419 13.410 1.00 23.02 H new ATOM 0 HG23 VAL A 44 17.086 -27.672 13.448 1.00 23.02 H new ATOM 876 N THR A 55 18.401 -32.362 17.238 1.00 2.41 N ATOM 877 CA THR A 55 16.997 -31.972 17.419 1.00 22.13 C ATOM 878 C THR A 55 16.337 -31.648 16.072 1.00 13.23 C ATOM 879 O THR A 55 16.773 -30.742 15.359 1.00 72.44 O ATOM 880 CB THR A 55 16.867 -30.740 18.351 1.00 24.23 C ATOM 881 OG1 THR A 55 17.523 -30.995 19.604 1.00 4.53 O ATOM 882 CG2 THR A 55 15.404 -30.390 18.607 1.00 3.44 C ATOM 0 HA THR A 55 16.490 -32.821 17.878 1.00 22.13 H new ATOM 0 HB THR A 55 17.343 -29.895 17.852 1.00 24.23 H new ATOM 0 HG1 THR A 55 18.247 -31.642 19.469 1.00 4.53 H new ATOM 0 HG21 THR A 55 15.347 -29.522 19.264 1.00 3.44 H new ATOM 0 HG22 THR A 55 14.914 -30.162 17.661 1.00 3.44 H new ATOM 0 HG23 THR A 55 14.905 -31.236 19.080 1.00 3.44 H new ATOM 890 N THR A 56 15.282 -32.382 15.731 1.00 41.22 N ATOM 891 CA THR A 56 14.602 -32.205 14.440 1.00 73.31 C ATOM 892 C THR A 56 13.297 -31.411 14.594 1.00 42.25 C ATOM 893 O THR A 56 12.349 -31.867 15.235 1.00 30.43 O ATOM 894 CB THR A 56 14.297 -33.571 13.773 1.00 51.32 C ATOM 895 OG1 THR A 56 15.522 -34.272 13.494 1.00 65.25 O ATOM 896 CG2 THR A 56 13.507 -33.393 12.479 1.00 23.34 C ATOM 0 H THR A 56 14.876 -33.105 16.325 1.00 41.22 H new ATOM 0 HA THR A 56 15.282 -31.641 13.801 1.00 73.31 H new ATOM 0 HB THR A 56 13.693 -34.152 14.469 1.00 51.32 H new ATOM 0 HG1 THR A 56 15.318 -35.134 13.075 1.00 65.25 H new ATOM 0 HG21 THR A 56 13.309 -34.369 12.036 1.00 23.34 H new ATOM 0 HG22 THR A 56 12.562 -32.895 12.695 1.00 23.34 H new ATOM 0 HG23 THR A 56 14.085 -32.788 11.780 1.00 23.34 H new ATOM 904 N TRP A 57 13.257 -30.221 13.997 1.00 24.34 N ATOM 905 CA TRP A 57 12.078 -29.348 14.072 1.00 31.25 C ATOM 906 C TRP A 57 11.215 -29.479 12.805 1.00 42.02 C ATOM 907 O TRP A 57 11.724 -29.388 11.688 1.00 0.33 O ATOM 908 CB TRP A 57 12.515 -27.890 14.257 1.00 4.15 C ATOM 909 CG TRP A 57 13.377 -27.668 15.464 1.00 51.20 C ATOM 910 CD1 TRP A 57 14.714 -27.898 15.558 1.00 45.22 C ATOM 911 CD2 TRP A 57 12.964 -27.174 16.743 1.00 2.35 C ATOM 912 NE1 TRP A 57 15.166 -27.567 16.812 1.00 14.12 N ATOM 913 CE2 TRP A 57 14.108 -27.121 17.560 1.00 12.32 C ATOM 914 CE3 TRP A 57 11.739 -26.766 17.273 1.00 13.13 C ATOM 915 CZ2 TRP A 57 14.063 -26.680 18.880 1.00 61.35 C ATOM 916 CZ3 TRP A 57 11.693 -26.329 18.585 1.00 35.34 C ATOM 917 CH2 TRP A 57 12.848 -26.287 19.376 1.00 3.22 C ATOM 0 H TRP A 57 14.029 -29.835 13.453 1.00 24.34 H new ATOM 0 HA TRP A 57 11.479 -29.657 14.929 1.00 31.25 H new ATOM 0 HB2 TRP A 57 13.058 -27.567 13.369 1.00 4.15 H new ATOM 0 HB3 TRP A 57 11.628 -27.261 14.334 1.00 4.15 H new ATOM 0 HD1 TRP A 57 15.332 -28.285 14.761 1.00 45.22 H new ATOM 0 HE1 TRP A 57 16.131 -27.641 17.134 1.00 14.12 H new ATOM 0 HE3 TRP A 57 10.843 -26.791 16.670 1.00 13.13 H new ATOM 0 HZ2 TRP A 57 14.953 -26.649 19.490 1.00 61.35 H new ATOM 0 HZ3 TRP A 57 10.750 -26.015 19.007 1.00 35.34 H new ATOM 0 HH2 TRP A 57 12.780 -25.938 20.396 1.00 3.22 H new ATOM 928 N TYR A 58 9.911 -29.686 12.985 1.00 21.24 N ATOM 929 CA TYR A 58 8.989 -29.892 11.858 1.00 44.44 C ATOM 930 C TYR A 58 8.430 -28.562 11.325 1.00 44.05 C ATOM 931 O TYR A 58 8.181 -27.627 12.089 1.00 21.22 O ATOM 932 CB TYR A 58 7.826 -30.799 12.282 1.00 71.22 C ATOM 933 CG TYR A 58 8.249 -32.055 13.025 1.00 52.34 C ATOM 934 CD1 TYR A 58 9.471 -32.671 12.767 1.00 24.51 C ATOM 935 CD2 TYR A 58 7.426 -32.621 13.992 1.00 44.23 C ATOM 936 CE1 TYR A 58 9.857 -33.805 13.452 1.00 73.21 C ATOM 937 CE2 TYR A 58 7.809 -33.754 14.681 1.00 75.42 C ATOM 938 CZ TYR A 58 9.022 -34.342 14.406 1.00 14.01 C ATOM 939 OH TYR A 58 9.410 -35.461 15.101 1.00 22.12 O ATOM 0 H TYR A 58 9.464 -29.716 13.901 1.00 21.24 H new ATOM 0 HA TYR A 58 9.557 -30.367 11.058 1.00 44.44 H new ATOM 0 HB2 TYR A 58 7.148 -30.228 12.916 1.00 71.22 H new ATOM 0 HB3 TYR A 58 7.264 -31.089 11.394 1.00 71.22 H new ATOM 0 HD1 TYR A 58 10.128 -32.254 12.018 1.00 24.51 H new ATOM 0 HD2 TYR A 58 6.470 -32.166 14.208 1.00 44.23 H new ATOM 0 HE1 TYR A 58 10.809 -34.269 13.241 1.00 73.21 H new ATOM 0 HE2 TYR A 58 7.159 -34.177 15.433 1.00 75.42 H new ATOM 0 HH TYR A 58 9.599 -35.219 16.032 1.00 22.12 H new ATOM 949 N ASN A 59 8.224 -28.499 10.011 1.00 55.40 N ATOM 950 CA ASN A 59 7.682 -27.305 9.351 1.00 55.14 C ATOM 951 C ASN A 59 6.142 -27.299 9.414 1.00 3.35 C ATOM 952 O ASN A 59 5.471 -27.961 8.615 1.00 52.11 O ATOM 953 CB ASN A 59 8.164 -27.267 7.891 1.00 35.24 C ATOM 954 CG ASN A 59 7.894 -25.941 7.202 1.00 43.23 C ATOM 955 OD1 ASN A 59 6.947 -25.240 7.522 1.00 33.15 O ATOM 956 ND2 ASN A 59 8.718 -25.594 6.236 1.00 13.50 N ATOM 0 H ASN A 59 8.426 -29.269 9.373 1.00 55.40 H new ATOM 0 HA ASN A 59 8.040 -26.416 9.871 1.00 55.14 H new ATOM 0 HB2 ASN A 59 9.234 -27.471 7.864 1.00 35.24 H new ATOM 0 HB3 ASN A 59 7.673 -28.065 7.333 1.00 35.24 H new ATOM 0 HD21 ASN A 59 8.574 -24.719 5.733 1.00 13.50 H new ATOM 0 HD22 ASN A 59 9.501 -26.200 5.991 1.00 13.50 H new ATOM 963 N TYR A 60 5.591 -26.551 10.371 1.00 23.24 N ATOM 964 CA TYR A 60 4.137 -26.502 10.599 1.00 44.33 C ATOM 965 C TYR A 60 3.346 -26.105 9.323 1.00 15.41 C ATOM 966 O TYR A 60 2.397 -26.800 8.954 1.00 34.12 O ATOM 967 CB TYR A 60 3.823 -25.552 11.771 1.00 75.11 C ATOM 968 CG TYR A 60 2.356 -25.493 12.158 1.00 53.55 C ATOM 969 CD1 TYR A 60 1.746 -26.564 12.800 1.00 31.40 C ATOM 970 CD2 TYR A 60 1.587 -24.364 11.894 1.00 64.34 C ATOM 971 CE1 TYR A 60 0.414 -26.515 13.162 1.00 23.54 C ATOM 972 CE2 TYR A 60 0.253 -24.309 12.254 1.00 20.13 C ATOM 973 CZ TYR A 60 -0.327 -25.388 12.888 1.00 62.03 C ATOM 974 OH TYR A 60 -1.657 -25.339 13.253 1.00 2.13 O ATOM 0 H TYR A 60 6.131 -25.965 11.008 1.00 23.24 H new ATOM 0 HA TYR A 60 3.808 -27.508 10.858 1.00 44.33 H new ATOM 0 HB2 TYR A 60 4.403 -25.863 12.640 1.00 75.11 H new ATOM 0 HB3 TYR A 60 4.157 -24.548 11.508 1.00 75.11 H new ATOM 0 HD1 TYR A 60 2.323 -27.450 13.020 1.00 31.40 H new ATOM 0 HD2 TYR A 60 2.039 -23.517 11.400 1.00 64.34 H new ATOM 0 HE1 TYR A 60 -0.044 -27.358 13.658 1.00 23.54 H new ATOM 0 HE2 TYR A 60 -0.331 -23.426 12.040 1.00 20.13 H new ATOM 0 HH TYR A 60 -1.814 -25.954 13.999 1.00 2.13 H new ATOM 984 N PRO A 61 3.703 -24.986 8.634 1.00 14.33 N ATOM 985 CA PRO A 61 3.067 -24.608 7.353 1.00 11.22 C ATOM 986 C PRO A 61 2.986 -25.772 6.340 1.00 50.25 C ATOM 987 O PRO A 61 1.960 -25.968 5.681 1.00 21.43 O ATOM 988 CB PRO A 61 3.982 -23.493 6.830 1.00 4.31 C ATOM 989 CG PRO A 61 4.526 -22.858 8.063 1.00 52.45 C ATOM 990 CD PRO A 61 4.708 -23.981 9.054 1.00 42.24 C ATOM 0 HA PRO A 61 2.029 -24.307 7.492 1.00 11.22 H new ATOM 0 HB2 PRO A 61 4.779 -23.893 6.203 1.00 4.31 H new ATOM 0 HB3 PRO A 61 3.429 -22.776 6.223 1.00 4.31 H new ATOM 0 HG2 PRO A 61 5.473 -22.357 7.860 1.00 52.45 H new ATOM 0 HG3 PRO A 61 3.842 -22.102 8.449 1.00 52.45 H new ATOM 0 HD2 PRO A 61 5.719 -24.387 9.018 1.00 42.24 H new ATOM 0 HD3 PRO A 61 4.535 -23.645 10.076 1.00 42.24 H new ATOM 998 N GLU A 62 4.068 -26.544 6.223 1.00 11.30 N ATOM 999 CA GLU A 62 4.095 -27.713 5.333 1.00 70.54 C ATOM 1000 C GLU A 62 3.144 -28.814 5.821 1.00 20.42 C ATOM 1001 O GLU A 62 2.459 -29.460 5.024 1.00 75.22 O ATOM 1002 CB GLU A 62 5.521 -28.271 5.214 1.00 54.14 C ATOM 1003 CG GLU A 62 6.462 -27.399 4.392 1.00 42.30 C ATOM 1004 CD GLU A 62 6.003 -27.246 2.951 1.00 64.34 C ATOM 1005 OE1 GLU A 62 6.010 -28.252 2.211 1.00 42.11 O ATOM 1006 OE2 GLU A 62 5.628 -26.124 2.552 1.00 43.32 O ATOM 0 H GLU A 62 4.938 -26.384 6.731 1.00 11.30 H new ATOM 0 HA GLU A 62 3.758 -27.382 4.351 1.00 70.54 H new ATOM 0 HB2 GLU A 62 5.937 -28.393 6.214 1.00 54.14 H new ATOM 0 HB3 GLU A 62 5.476 -29.263 4.764 1.00 54.14 H new ATOM 0 HG2 GLU A 62 6.535 -26.414 4.853 1.00 42.30 H new ATOM 0 HG3 GLU A 62 7.462 -27.834 4.407 1.00 42.30 H new ATOM 1013 N ILE A 63 3.105 -29.026 7.134 1.00 50.11 N ATOM 1014 CA ILE A 63 2.203 -30.015 7.732 1.00 24.32 C ATOM 1015 C ILE A 63 0.735 -29.598 7.544 1.00 54.11 C ATOM 1016 O ILE A 63 -0.145 -30.441 7.379 1.00 23.41 O ATOM 1017 CB ILE A 63 2.519 -30.220 9.235 1.00 71.34 C ATOM 1018 CG1 ILE A 63 3.978 -30.687 9.391 1.00 23.33 C ATOM 1019 CG2 ILE A 63 1.548 -31.223 9.875 1.00 42.42 C ATOM 1020 CD1 ILE A 63 4.432 -30.820 10.826 1.00 44.54 C ATOM 0 H ILE A 63 3.687 -28.527 7.807 1.00 50.11 H new ATOM 0 HA ILE A 63 2.361 -30.964 7.219 1.00 24.32 H new ATOM 0 HB ILE A 63 2.391 -29.271 9.756 1.00 71.34 H new ATOM 0 HG12 ILE A 63 4.096 -31.649 8.893 1.00 23.33 H new ATOM 0 HG13 ILE A 63 4.631 -29.981 8.878 1.00 23.33 H new ATOM 0 HG21 ILE A 63 1.795 -31.346 10.930 1.00 42.42 H new ATOM 0 HG22 ILE A 63 0.528 -30.851 9.782 1.00 42.42 H new ATOM 0 HG23 ILE A 63 1.632 -32.184 9.368 1.00 42.42 H new ATOM 0 HD11 ILE A 63 5.470 -31.153 10.850 1.00 44.54 H new ATOM 0 HD12 ILE A 63 4.349 -29.854 11.325 1.00 44.54 H new ATOM 0 HD13 ILE A 63 3.805 -31.549 11.340 1.00 44.54 H new ATOM 1032 N ASN A 64 0.486 -28.289 7.552 1.00 3.03 N ATOM 1033 CA ASN A 64 -0.840 -27.748 7.223 1.00 52.23 C ATOM 1034 C ASN A 64 -1.237 -28.142 5.788 1.00 44.50 C ATOM 1035 O ASN A 64 -2.374 -28.538 5.523 1.00 52.44 O ATOM 1036 CB ASN A 64 -0.834 -26.219 7.362 1.00 64.41 C ATOM 1037 CG ASN A 64 -2.187 -25.592 7.068 1.00 42.12 C ATOM 1038 OD1 ASN A 64 -3.233 -26.154 7.375 1.00 2.21 O ATOM 1039 ND2 ASN A 64 -2.179 -24.433 6.445 1.00 43.45 N ATOM 0 H ASN A 64 1.183 -27.580 7.782 1.00 3.03 H new ATOM 0 HA ASN A 64 -1.569 -28.166 7.917 1.00 52.23 H new ATOM 0 HB2 ASN A 64 -0.528 -25.953 8.374 1.00 64.41 H new ATOM 0 HB3 ASN A 64 -0.090 -25.801 6.684 1.00 64.41 H new ATOM 0 HD21 ASN A 64 -3.059 -23.977 6.204 1.00 43.45 H new ATOM 0 HD22 ASN A 64 -1.293 -23.990 6.203 1.00 43.45 H new ATOM 1046 N LYS A 65 -0.281 -28.027 4.865 1.00 43.22 N ATOM 1047 CA LYS A 65 -0.487 -28.434 3.469 1.00 13.40 C ATOM 1048 C LYS A 65 -0.693 -29.959 3.352 1.00 54.40 C ATOM 1049 O LYS A 65 -1.330 -30.443 2.413 1.00 12.15 O ATOM 1050 CB LYS A 65 0.700 -27.962 2.610 1.00 1.01 C ATOM 1051 CG LYS A 65 0.668 -28.448 1.159 1.00 51.25 C ATOM 1052 CD LYS A 65 1.632 -27.663 0.266 1.00 35.11 C ATOM 1053 CE LYS A 65 3.050 -27.622 0.830 1.00 63.00 C ATOM 1054 NZ LYS A 65 3.662 -28.972 0.935 1.00 22.33 N ATOM 0 H LYS A 65 0.649 -27.654 5.058 1.00 43.22 H new ATOM 0 HA LYS A 65 -1.397 -27.961 3.099 1.00 13.40 H new ATOM 0 HB2 LYS A 65 0.724 -26.872 2.614 1.00 1.01 H new ATOM 0 HB3 LYS A 65 1.626 -28.303 3.074 1.00 1.01 H new ATOM 0 HG2 LYS A 65 0.925 -29.507 1.126 1.00 51.25 H new ATOM 0 HG3 LYS A 65 -0.345 -28.354 0.768 1.00 51.25 H new ATOM 0 HD2 LYS A 65 1.652 -28.114 -0.726 1.00 35.11 H new ATOM 0 HD3 LYS A 65 1.263 -26.645 0.146 1.00 35.11 H new ATOM 0 HE2 LYS A 65 3.672 -26.993 0.193 1.00 63.00 H new ATOM 0 HE3 LYS A 65 3.032 -27.158 1.816 1.00 63.00 H new ATOM 0 HZ1 LYS A 65 4.651 -28.882 1.243 1.00 22.33 H new ATOM 0 HZ2 LYS A 65 3.134 -29.539 1.629 1.00 22.33 H new ATOM 0 HZ3 LYS A 65 3.629 -29.441 0.007 1.00 22.33 H new ATOM 1068 N PHE A 66 -0.156 -30.710 4.310 1.00 51.33 N ATOM 1069 CA PHE A 66 -0.421 -32.153 4.403 1.00 11.30 C ATOM 1070 C PHE A 66 -1.862 -32.410 4.880 1.00 11.50 C ATOM 1071 O PHE A 66 -2.622 -33.141 4.241 1.00 60.42 O ATOM 1072 CB PHE A 66 0.584 -32.815 5.357 1.00 54.31 C ATOM 1073 CG PHE A 66 0.316 -34.283 5.608 1.00 24.13 C ATOM 1074 CD1 PHE A 66 0.657 -35.238 4.661 1.00 30.23 C ATOM 1075 CD2 PHE A 66 -0.280 -34.706 6.793 1.00 72.10 C ATOM 1076 CE1 PHE A 66 0.412 -36.580 4.889 1.00 33.02 C ATOM 1077 CE2 PHE A 66 -0.525 -36.047 7.022 1.00 52.01 C ATOM 1078 CZ PHE A 66 -0.178 -36.984 6.069 1.00 25.12 C ATOM 0 H PHE A 66 0.465 -30.349 5.034 1.00 51.33 H new ATOM 0 HA PHE A 66 -0.305 -32.591 3.412 1.00 11.30 H new ATOM 0 HB2 PHE A 66 1.587 -32.704 4.946 1.00 54.31 H new ATOM 0 HB3 PHE A 66 0.569 -32.285 6.309 1.00 54.31 H new ATOM 0 HD1 PHE A 66 1.119 -34.930 3.735 1.00 30.23 H new ATOM 0 HD2 PHE A 66 -0.554 -33.978 7.542 1.00 72.10 H new ATOM 0 HE1 PHE A 66 0.683 -37.312 4.143 1.00 33.02 H new ATOM 0 HE2 PHE A 66 -0.988 -36.362 7.946 1.00 52.01 H new ATOM 0 HZ PHE A 66 -0.368 -38.032 6.247 1.00 25.12 H new ATOM 1088 N ILE A 67 -2.228 -31.791 6.005 1.00 63.02 N ATOM 1089 CA ILE A 67 -3.588 -31.896 6.558 1.00 4.14 C ATOM 1090 C ILE A 67 -4.641 -31.442 5.532 1.00 50.42 C ATOM 1091 O ILE A 67 -5.781 -31.910 5.546 1.00 70.33 O ATOM 1092 CB ILE A 67 -3.731 -31.054 7.857 1.00 44.44 C ATOM 1093 CG1 ILE A 67 -2.720 -31.527 8.917 1.00 4.43 C ATOM 1094 CG2 ILE A 67 -5.156 -31.131 8.405 1.00 53.05 C ATOM 1095 CD1 ILE A 67 -2.757 -30.732 10.211 1.00 3.44 C ATOM 0 H ILE A 67 -1.599 -31.207 6.557 1.00 63.02 H new ATOM 0 HA ILE A 67 -3.759 -32.946 6.797 1.00 4.14 H new ATOM 0 HB ILE A 67 -3.519 -30.013 7.612 1.00 44.44 H new ATOM 0 HG12 ILE A 67 -2.911 -32.576 9.143 1.00 4.43 H new ATOM 0 HG13 ILE A 67 -1.716 -31.469 8.497 1.00 4.43 H new ATOM 0 HG21 ILE A 67 -5.229 -30.534 9.314 1.00 53.05 H new ATOM 0 HG22 ILE A 67 -5.853 -30.746 7.661 1.00 53.05 H new ATOM 0 HG23 ILE A 67 -5.403 -32.168 8.632 1.00 53.05 H new ATOM 0 HD11 ILE A 67 -2.015 -31.129 10.903 1.00 3.44 H new ATOM 0 HD12 ILE A 67 -2.535 -29.686 10.002 1.00 3.44 H new ATOM 0 HD13 ILE A 67 -3.748 -30.810 10.658 1.00 3.44 H new