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= -0.113 K(o=-0.11,f=-2.9!) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 MET CE :methyl -148:sc= -2.56 (180deg=-5.73!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.311 (180deg=-1.28) USER MOD Single : A 20 THR OG1 : rot -74:sc= 0.869 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0439 X(o=-0.044,f=-0.22) USER MOD Single : A 40 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.34) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 33:sc= 0.0914 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.45 K(o=-1.4,f=-6.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.828) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 6.822 -21.323 10.983 1.00 74.14 N ATOM 135 CA GLU A 9 6.300 -21.792 12.271 1.00 42.43 C ATOM 136 C GLU A 9 6.952 -23.127 12.674 1.00 0.30 C ATOM 137 O GLU A 9 6.864 -24.118 11.945 1.00 32.22 O ATOM 138 CB GLU A 9 4.779 -21.957 12.179 1.00 45.03 C ATOM 139 CG GLU A 9 4.107 -22.349 13.490 1.00 45.24 C ATOM 140 CD GLU A 9 4.191 -21.265 14.554 1.00 73.22 C ATOM 141 OE1 GLU A 9 3.335 -20.354 14.551 1.00 21.33 O ATOM 142 OE2 GLU A 9 5.103 -21.321 15.407 1.00 5.33 O ATOM 0 HA GLU A 9 6.540 -21.052 13.035 1.00 42.43 H new ATOM 0 HB2 GLU A 9 4.345 -21.021 11.828 1.00 45.03 H new ATOM 0 HB3 GLU A 9 4.553 -22.714 11.428 1.00 45.03 H new ATOM 0 HG2 GLU A 9 3.059 -22.581 13.299 1.00 45.24 H new ATOM 0 HG3 GLU A 9 4.571 -23.259 13.870 1.00 45.24 H new ATOM 149 N TRP A 10 7.604 -23.148 13.836 1.00 44.41 N ATOM 150 CA TRP A 10 8.322 -24.343 14.307 1.00 44.43 C ATOM 151 C TRP A 10 7.802 -24.805 15.682 1.00 41.02 C ATOM 152 O TRP A 10 7.519 -23.981 16.556 1.00 3.31 O ATOM 153 CB TRP A 10 9.826 -24.043 14.421 1.00 70.32 C ATOM 154 CG TRP A 10 10.434 -23.443 13.187 1.00 34.01 C ATOM 155 CD1 TRP A 10 10.548 -22.112 12.892 1.00 12.52 C ATOM 156 CD2 TRP A 10 11.018 -24.148 12.087 1.00 71.41 C ATOM 157 NE1 TRP A 10 11.168 -21.951 11.679 1.00 50.11 N ATOM 158 CE2 TRP A 10 11.464 -23.183 11.164 1.00 50.41 C ATOM 159 CE3 TRP A 10 11.207 -25.499 11.791 1.00 61.12 C ATOM 160 CZ2 TRP A 10 12.087 -23.524 9.970 1.00 13.13 C ATOM 161 CZ3 TRP A 10 11.828 -25.837 10.604 1.00 31.42 C ATOM 162 CH2 TRP A 10 12.262 -24.852 9.706 1.00 12.21 C ATOM 0 H TRP A 10 7.653 -22.353 14.473 1.00 44.41 H new ATOM 0 HA TRP A 10 8.151 -25.138 13.581 1.00 44.43 H new ATOM 0 HB2 TRP A 10 9.986 -23.363 15.258 1.00 70.32 H new ATOM 0 HB3 TRP A 10 10.352 -24.968 14.657 1.00 70.32 H new ATOM 0 HD1 TRP A 10 10.201 -21.306 13.522 1.00 12.52 H new ATOM 0 HE1 TRP A 10 11.375 -21.057 11.233 1.00 50.11 H new ATOM 0 HE3 TRP A 10 10.874 -26.265 12.476 1.00 61.12 H new ATOM 0 HZ2 TRP A 10 12.421 -22.766 9.276 1.00 13.13 H new ATOM 0 HZ3 TRP A 10 11.982 -26.879 10.364 1.00 31.42 H new ATOM 0 HH2 TRP A 10 12.745 -25.150 8.787 1.00 12.21 H new ATOM 173 N MET A 11 7.686 -26.119 15.879 1.00 1.42 N ATOM 174 CA MET A 11 7.324 -26.674 17.194 1.00 20.35 C ATOM 175 C MET A 11 7.758 -28.141 17.327 1.00 63.34 C ATOM 176 O MET A 11 8.244 -28.749 16.375 1.00 53.03 O ATOM 177 CB MET A 11 5.811 -26.572 17.450 1.00 34.23 C ATOM 178 CG MET A 11 4.963 -27.445 16.530 1.00 11.55 C ATOM 179 SD MET A 11 4.809 -26.768 14.872 1.00 72.10 S ATOM 180 CE MET A 11 3.871 -25.283 15.223 1.00 1.03 C ATOM 0 H MET A 11 7.835 -26.819 15.153 1.00 1.42 H new ATOM 0 HA MET A 11 7.853 -26.079 17.938 1.00 20.35 H new ATOM 0 HB2 MET A 11 5.609 -26.850 18.484 1.00 34.23 H new ATOM 0 HB3 MET A 11 5.503 -25.533 17.333 1.00 34.23 H new ATOM 0 HG2 MET A 11 5.405 -28.440 16.472 1.00 11.55 H new ATOM 0 HG3 MET A 11 3.970 -27.563 16.963 1.00 11.55 H new ATOM 0 HE1 MET A 11 3.222 -25.054 14.377 1.00 1.03 H new ATOM 0 HE2 MET A 11 3.263 -25.439 16.115 1.00 1.03 H new ATOM 0 HE3 MET A 11 4.555 -24.451 15.391 1.00 1.03 H new ATOM 190 N VAL A 12 7.580 -28.702 18.521 1.00 41.40 N ATOM 191 CA VAL A 12 7.838 -30.129 18.753 1.00 5.25 C ATOM 192 C VAL A 12 6.617 -30.979 18.361 1.00 2.21 C ATOM 193 O VAL A 12 5.542 -30.442 18.088 1.00 41.31 O ATOM 194 CB VAL A 12 8.202 -30.403 20.234 1.00 15.02 C ATOM 195 CG1 VAL A 12 9.475 -29.649 20.621 1.00 43.43 C ATOM 196 CG2 VAL A 12 7.041 -30.030 21.157 1.00 24.12 C ATOM 0 H VAL A 12 7.258 -28.194 19.345 1.00 41.40 H new ATOM 0 HA VAL A 12 8.685 -30.409 18.127 1.00 5.25 H new ATOM 0 HB VAL A 12 8.391 -31.470 20.350 1.00 15.02 H new ATOM 0 HG11 VAL A 12 9.716 -29.853 21.664 1.00 43.43 H new ATOM 0 HG12 VAL A 12 10.299 -29.977 19.988 1.00 43.43 H new ATOM 0 HG13 VAL A 12 9.319 -28.579 20.487 1.00 43.43 H new ATOM 0 HG21 VAL A 12 7.320 -30.231 22.191 1.00 24.12 H new ATOM 0 HG22 VAL A 12 6.811 -28.971 21.042 1.00 24.12 H new ATOM 0 HG23 VAL A 12 6.164 -30.622 20.896 1.00 24.12 H new ATOM 206 N GLU A 13 6.780 -32.302 18.357 1.00 74.23 N ATOM 207 CA GLU A 13 5.710 -33.223 17.944 1.00 35.32 C ATOM 208 C GLU A 13 4.439 -33.054 18.799 1.00 43.03 C ATOM 209 O GLU A 13 3.319 -33.058 18.276 1.00 10.13 O ATOM 210 CB GLU A 13 6.214 -34.667 18.029 1.00 53.22 C ATOM 211 CG GLU A 13 5.187 -35.715 17.619 1.00 33.42 C ATOM 212 CD GLU A 13 5.717 -37.131 17.770 1.00 50.20 C ATOM 213 OE1 GLU A 13 6.044 -37.525 18.911 1.00 72.42 O ATOM 214 OE2 GLU A 13 5.819 -37.849 16.756 1.00 53.14 O ATOM 0 H GLU A 13 7.645 -32.766 18.636 1.00 74.23 H new ATOM 0 HA GLU A 13 5.442 -32.984 16.915 1.00 35.32 H new ATOM 0 HB2 GLU A 13 7.094 -34.770 17.394 1.00 53.22 H new ATOM 0 HB3 GLU A 13 6.533 -34.868 19.052 1.00 53.22 H new ATOM 0 HG2 GLU A 13 4.290 -35.598 18.227 1.00 33.42 H new ATOM 0 HG3 GLU A 13 4.894 -35.548 16.583 1.00 33.42 H new ATOM 221 N LYS A 14 4.622 -32.897 20.111 1.00 54.43 N ATOM 222 CA LYS A 14 3.502 -32.701 21.041 1.00 4.22 C ATOM 223 C LYS A 14 2.638 -31.501 20.620 1.00 23.21 C ATOM 224 O LYS A 14 1.414 -31.597 20.548 1.00 32.31 O ATOM 225 CB LYS A 14 4.035 -32.518 22.479 1.00 33.54 C ATOM 226 CG LYS A 14 2.950 -32.465 23.565 1.00 34.32 C ATOM 227 CD LYS A 14 2.401 -31.052 23.782 1.00 42.15 C ATOM 228 CE LYS A 14 3.447 -30.123 24.389 1.00 61.35 C ATOM 229 NZ LYS A 14 2.920 -28.751 24.621 1.00 12.51 N ATOM 0 H LYS A 14 5.539 -32.901 20.558 1.00 54.43 H new ATOM 0 HA LYS A 14 2.870 -33.588 21.013 1.00 4.22 H new ATOM 0 HB2 LYS A 14 4.717 -33.337 22.706 1.00 33.54 H new ATOM 0 HB3 LYS A 14 4.617 -31.598 22.521 1.00 33.54 H new ATOM 0 HG2 LYS A 14 2.132 -33.130 23.288 1.00 34.32 H new ATOM 0 HG3 LYS A 14 3.361 -32.839 24.503 1.00 34.32 H new ATOM 0 HD2 LYS A 14 2.062 -30.644 22.830 1.00 42.15 H new ATOM 0 HD3 LYS A 14 1.531 -31.097 24.437 1.00 42.15 H new ATOM 0 HE2 LYS A 14 3.795 -30.540 25.334 1.00 61.35 H new ATOM 0 HE3 LYS A 14 4.311 -30.070 23.726 1.00 61.35 H new ATOM 0 HZ1 LYS A 14 3.667 -28.157 25.034 1.00 12.51 H new ATOM 0 HZ2 LYS A 14 2.612 -28.340 23.717 1.00 12.51 H new ATOM 0 HZ3 LYS A 14 2.112 -28.795 25.274 1.00 12.51 H new ATOM 243 N ALA A 15 3.285 -30.376 20.333 1.00 5.44 N ATOM 244 CA ALA A 15 2.578 -29.176 19.878 1.00 52.21 C ATOM 245 C ALA A 15 2.039 -29.360 18.450 1.00 24.35 C ATOM 246 O ALA A 15 0.938 -28.915 18.127 1.00 3.12 O ATOM 247 CB ALA A 15 3.503 -27.964 19.952 1.00 32.31 C ATOM 0 H ALA A 15 4.296 -30.267 20.406 1.00 5.44 H new ATOM 0 HA ALA A 15 1.725 -29.009 20.536 1.00 52.21 H new ATOM 0 HB1 ALA A 15 2.969 -27.077 19.612 1.00 32.31 H new ATOM 0 HB2 ALA A 15 3.830 -27.818 20.982 1.00 32.31 H new ATOM 0 HB3 ALA A 15 4.372 -28.130 19.316 1.00 32.31 H new ATOM 253 N LEU A 16 2.816 -30.041 17.609 1.00 62.11 N ATOM 254 CA LEU A 16 2.447 -30.271 16.207 1.00 32.52 C ATOM 255 C LEU A 16 1.086 -30.983 16.100 1.00 50.41 C ATOM 256 O LEU A 16 0.210 -30.555 15.344 1.00 53.34 O ATOM 257 CB LEU A 16 3.554 -31.090 15.512 1.00 5.54 C ATOM 258 CG LEU A 16 3.487 -31.197 13.971 1.00 51.42 C ATOM 259 CD1 LEU A 16 2.398 -32.166 13.511 1.00 62.32 C ATOM 260 CD2 LEU A 16 3.290 -29.818 13.342 1.00 35.53 C ATOM 0 H LEU A 16 3.713 -30.447 17.874 1.00 62.11 H new ATOM 0 HA LEU A 16 2.349 -29.308 15.706 1.00 32.52 H new ATOM 0 HB2 LEU A 16 4.516 -30.654 15.780 1.00 5.54 H new ATOM 0 HB3 LEU A 16 3.537 -32.100 15.923 1.00 5.54 H new ATOM 0 HG LEU A 16 4.441 -31.600 13.631 1.00 51.42 H new ATOM 0 HD11 LEU A 16 2.387 -32.210 12.422 1.00 62.32 H new ATOM 0 HD12 LEU A 16 2.601 -33.159 13.912 1.00 62.32 H new ATOM 0 HD13 LEU A 16 1.428 -31.821 13.870 1.00 62.32 H new ATOM 0 HD21 LEU A 16 3.246 -29.916 12.257 1.00 35.53 H new ATOM 0 HD22 LEU A 16 2.360 -29.382 13.705 1.00 35.53 H new ATOM 0 HD23 LEU A 16 4.124 -29.171 13.614 1.00 35.53 H new ATOM 272 N MET A 17 0.910 -32.067 16.858 1.00 52.32 N ATOM 273 CA MET A 17 -0.354 -32.818 16.844 1.00 72.33 C ATOM 274 C MET A 17 -1.526 -31.946 17.329 1.00 31.44 C ATOM 275 O MET A 17 -2.637 -32.046 16.813 1.00 54.52 O ATOM 276 CB MET A 17 -0.244 -34.091 17.700 1.00 20.41 C ATOM 277 CG MET A 17 -0.043 -33.834 19.187 1.00 74.21 C ATOM 278 SD MET A 17 0.158 -35.355 20.137 1.00 15.01 S ATOM 279 CE MET A 17 1.686 -35.984 19.442 1.00 61.33 C ATOM 0 H MET A 17 1.619 -32.445 17.486 1.00 52.32 H new ATOM 0 HA MET A 17 -0.553 -33.110 15.813 1.00 72.33 H new ATOM 0 HB2 MET A 17 -1.149 -34.684 17.565 1.00 20.41 H new ATOM 0 HB3 MET A 17 0.588 -34.691 17.332 1.00 20.41 H new ATOM 0 HG2 MET A 17 0.836 -33.204 19.327 1.00 74.21 H new ATOM 0 HG3 MET A 17 -0.898 -33.279 19.574 1.00 74.21 H new ATOM 0 HE1 MET A 17 2.114 -36.726 20.116 1.00 61.33 H new ATOM 0 HE2 MET A 17 1.483 -36.446 18.476 1.00 61.33 H new ATOM 0 HE3 MET A 17 2.391 -35.163 19.311 1.00 61.33 H new ATOM 289 N VAL A 18 -1.264 -31.078 18.308 1.00 44.13 N ATOM 290 CA VAL A 18 -2.288 -30.164 18.832 1.00 22.12 C ATOM 291 C VAL A 18 -2.651 -29.079 17.800 1.00 42.53 C ATOM 292 O VAL A 18 -3.809 -28.663 17.693 1.00 51.34 O ATOM 293 CB VAL A 18 -1.814 -29.486 20.146 1.00 22.55 C ATOM 294 CG1 VAL A 18 -2.876 -28.531 20.691 1.00 32.43 C ATOM 295 CG2 VAL A 18 -1.445 -30.536 21.193 1.00 34.23 C ATOM 0 H VAL A 18 -0.352 -30.987 18.756 1.00 44.13 H new ATOM 0 HA VAL A 18 -3.174 -30.764 19.040 1.00 22.12 H new ATOM 0 HB VAL A 18 -0.924 -28.900 19.917 1.00 22.55 H new ATOM 0 HG11 VAL A 18 -2.515 -28.072 21.611 1.00 32.43 H new ATOM 0 HG12 VAL A 18 -3.080 -27.754 19.954 1.00 32.43 H new ATOM 0 HG13 VAL A 18 -3.792 -29.085 20.897 1.00 32.43 H new ATOM 0 HG21 VAL A 18 -1.116 -30.040 22.106 1.00 34.23 H new ATOM 0 HG22 VAL A 18 -2.316 -31.155 21.410 1.00 34.23 H new ATOM 0 HG23 VAL A 18 -0.640 -31.164 20.811 1.00 34.23 H new ATOM 305 N ARG A 19 -1.650 -28.630 17.044 1.00 1.32 N ATOM 306 CA ARG A 19 -1.840 -27.601 16.011 1.00 0.02 C ATOM 307 C ARG A 19 -2.548 -28.160 14.763 1.00 52.12 C ATOM 308 O ARG A 19 -3.371 -27.480 14.150 1.00 51.11 O ATOM 309 CB ARG A 19 -0.482 -27.007 15.599 1.00 54.41 C ATOM 310 CG ARG A 19 0.247 -26.260 16.716 1.00 2.14 C ATOM 311 CD ARG A 19 -0.498 -25.001 17.144 1.00 74.45 C ATOM 312 NE ARG A 19 0.244 -24.242 18.149 1.00 61.10 N ATOM 313 CZ ARG A 19 0.040 -22.981 18.410 1.00 43.13 C ATOM 314 NH1 ARG A 19 -0.876 -22.319 17.784 1.00 64.33 N ATOM 315 NH2 ARG A 19 0.751 -22.384 19.307 1.00 10.23 N ATOM 0 H ARG A 19 -0.690 -28.963 17.126 1.00 1.32 H new ATOM 0 HA ARG A 19 -2.473 -26.825 16.442 1.00 0.02 H new ATOM 0 HB2 ARG A 19 0.159 -27.812 15.239 1.00 54.41 H new ATOM 0 HB3 ARG A 19 -0.636 -26.325 14.763 1.00 54.41 H new ATOM 0 HG2 ARG A 19 0.366 -26.920 17.575 1.00 2.14 H new ATOM 0 HG3 ARG A 19 1.248 -25.991 16.379 1.00 2.14 H new ATOM 0 HD2 ARG A 19 -0.676 -24.371 16.272 1.00 74.45 H new ATOM 0 HD3 ARG A 19 -1.474 -25.275 17.544 1.00 74.45 H new ATOM 0 HE ARG A 19 0.966 -24.729 18.679 1.00 61.10 H new ATOM 0 HH11 ARG A 19 -1.448 -22.783 17.078 1.00 64.33 H new ATOM 0 HH12 ARG A 19 -1.027 -21.333 17.996 1.00 64.33 H new ATOM 0 HH21 ARG A 19 1.473 -22.899 19.812 1.00 10.23 H new ATOM 0 HH22 ARG A 19 0.591 -21.397 19.511 1.00 10.23 H new ATOM 329 N THR A 20 -2.220 -29.397 14.392 1.00 52.22 N ATOM 330 CA THR A 20 -2.740 -30.005 13.151 1.00 53.22 C ATOM 331 C THR A 20 -4.019 -30.822 13.385 1.00 63.53 C ATOM 332 O THR A 20 -4.878 -30.905 12.504 1.00 1.14 O ATOM 333 CB THR A 20 -1.691 -30.942 12.504 1.00 11.31 C ATOM 334 OG1 THR A 20 -1.338 -31.989 13.423 1.00 0.31 O ATOM 335 CG2 THR A 20 -0.437 -30.171 12.101 1.00 52.25 C ATOM 0 H THR A 20 -1.598 -30.003 14.927 1.00 52.22 H new ATOM 0 HA THR A 20 -2.967 -29.169 12.489 1.00 53.22 H new ATOM 0 HB THR A 20 -2.132 -31.374 11.606 1.00 11.31 H new ATOM 0 HG1 THR A 20 -0.765 -31.625 14.129 1.00 0.31 H new ATOM 0 HG21 THR A 20 0.281 -30.855 11.650 1.00 52.25 H new ATOM 0 HG22 THR A 20 -0.702 -29.396 11.381 1.00 52.25 H new ATOM 0 HG23 THR A 20 0.006 -29.710 12.984 1.00 52.25 H new ATOM 343 N GLY A 21 -4.149 -31.411 14.572 1.00 44.34 N ATOM 344 CA GLY A 21 -5.296 -32.268 14.870 1.00 10.12 C ATOM 345 C GLY A 21 -4.948 -33.760 14.867 1.00 31.25 C ATOM 346 O GLY A 21 -5.796 -34.605 15.165 1.00 51.22 O ATOM 0 H GLY A 21 -3.482 -31.313 15.337 1.00 44.34 H new ATOM 0 HA2 GLY A 21 -5.701 -31.997 15.845 1.00 10.12 H new ATOM 0 HA3 GLY A 21 -6.081 -32.083 14.137 1.00 10.12 H new ATOM 350 N LEU A 22 -3.695 -34.084 14.536 1.00 51.00 N ATOM 351 CA LEU A 22 -3.222 -35.479 14.507 1.00 21.22 C ATOM 352 C LEU A 22 -2.895 -36.013 15.915 1.00 64.23 C ATOM 353 O LEU A 22 -3.121 -35.343 16.923 1.00 41.24 O ATOM 354 CB LEU A 22 -1.978 -35.604 13.602 1.00 14.45 C ATOM 355 CG LEU A 22 -2.252 -35.731 12.091 1.00 35.10 C ATOM 356 CD1 LEU A 22 -3.046 -34.541 11.564 1.00 60.24 C ATOM 357 CD2 LEU A 22 -0.941 -35.886 11.322 1.00 52.12 C ATOM 0 H LEU A 22 -2.984 -33.398 14.283 1.00 51.00 H new ATOM 0 HA LEU A 22 -4.034 -36.084 14.103 1.00 21.22 H new ATOM 0 HB2 LEU A 22 -1.346 -34.731 13.764 1.00 14.45 H new ATOM 0 HB3 LEU A 22 -1.406 -36.475 13.922 1.00 14.45 H new ATOM 0 HG LEU A 22 -2.857 -36.625 11.937 1.00 35.10 H new ATOM 0 HD11 LEU A 22 -3.221 -34.665 10.495 1.00 60.24 H new ATOM 0 HD12 LEU A 22 -4.002 -34.483 12.084 1.00 60.24 H new ATOM 0 HD13 LEU A 22 -2.483 -33.623 11.736 1.00 60.24 H new ATOM 0 HD21 LEU A 22 -1.153 -35.974 10.256 1.00 52.12 H new ATOM 0 HD22 LEU A 22 -0.312 -35.013 11.496 1.00 52.12 H new ATOM 0 HD23 LEU A 22 -0.422 -36.781 11.664 1.00 52.12 H new ATOM 369 N GLY A 23 -2.362 -37.236 15.967 1.00 73.13 N ATOM 370 CA GLY A 23 -1.957 -37.842 17.233 1.00 35.40 C ATOM 371 C GLY A 23 -0.602 -38.537 17.135 1.00 22.13 C ATOM 372 O GLY A 23 -0.081 -38.732 16.036 1.00 72.22 O ATOM 0 H GLY A 23 -2.202 -37.823 15.148 1.00 73.13 H new ATOM 0 HA2 GLY A 23 -1.913 -37.073 18.004 1.00 35.40 H new ATOM 0 HA3 GLY A 23 -2.711 -38.564 17.545 1.00 35.40 H new ATOM 376 N ALA A 24 -0.040 -38.928 18.277 1.00 62.14 N ATOM 377 CA ALA A 24 1.289 -39.558 18.318 1.00 62.35 C ATOM 378 C ALA A 24 1.382 -40.800 17.413 1.00 61.30 C ATOM 379 O ALA A 24 2.314 -40.925 16.613 1.00 62.41 O ATOM 380 CB ALA A 24 1.654 -39.916 19.754 1.00 22.21 C ATOM 0 H ALA A 24 -0.481 -38.822 19.191 1.00 62.14 H new ATOM 0 HA ALA A 24 2.004 -38.831 17.931 1.00 62.35 H new ATOM 0 HB1 ALA A 24 2.639 -40.382 19.774 1.00 22.21 H new ATOM 0 HB2 ALA A 24 1.668 -39.012 20.362 1.00 22.21 H new ATOM 0 HB3 ALA A 24 0.916 -40.611 20.154 1.00 22.21 H new ATOM 386 N ARG A 25 0.409 -41.708 17.527 1.00 73.40 N ATOM 387 CA ARG A 25 0.403 -42.942 16.724 1.00 2.13 C ATOM 388 C ARG A 25 0.284 -42.634 15.221 1.00 62.34 C ATOM 389 O ARG A 25 0.678 -43.438 14.376 1.00 2.31 O ATOM 390 CB ARG A 25 -0.748 -43.870 17.155 1.00 2.33 C ATOM 391 CG ARG A 25 -2.133 -43.376 16.742 1.00 45.01 C ATOM 392 CD ARG A 25 -3.232 -44.373 17.105 1.00 3.43 C ATOM 393 NE ARG A 25 -4.511 -44.013 16.494 1.00 74.24 N ATOM 394 CZ ARG A 25 -5.672 -44.494 16.852 1.00 25.33 C ATOM 395 NH1 ARG A 25 -5.779 -45.330 17.834 1.00 21.33 N ATOM 396 NH2 ARG A 25 -6.735 -44.125 16.219 1.00 0.51 N ATOM 0 H ARG A 25 -0.383 -41.616 18.163 1.00 73.40 H new ATOM 0 HA ARG A 25 1.353 -43.447 16.899 1.00 2.13 H new ATOM 0 HB2 ARG A 25 -0.584 -44.859 16.726 1.00 2.33 H new ATOM 0 HB3 ARG A 25 -0.723 -43.984 18.239 1.00 2.33 H new ATOM 0 HG2 ARG A 25 -2.336 -42.421 17.227 1.00 45.01 H new ATOM 0 HG3 ARG A 25 -2.148 -43.197 15.667 1.00 45.01 H new ATOM 0 HD2 ARG A 25 -2.941 -45.371 16.778 1.00 3.43 H new ATOM 0 HD3 ARG A 25 -3.344 -44.413 18.188 1.00 3.43 H new ATOM 0 HE ARG A 25 -4.496 -43.336 15.731 1.00 74.24 H new ATOM 0 HH11 ARG A 25 -4.947 -45.626 18.345 1.00 21.33 H new ATOM 0 HH12 ARG A 25 -6.695 -45.693 18.097 1.00 21.33 H new ATOM 0 HH21 ARG A 25 -6.664 -43.463 15.446 1.00 0.51 H new ATOM 0 HH22 ARG A 25 -7.645 -44.495 16.492 1.00 0.51 H new ATOM 410 N GLN A 26 -0.258 -41.459 14.904 1.00 33.04 N ATOM 411 CA GLN A 26 -0.449 -41.030 13.515 1.00 61.53 C ATOM 412 C GLN A 26 0.850 -40.449 12.932 1.00 33.34 C ATOM 413 O GLN A 26 1.331 -40.887 11.886 1.00 24.14 O ATOM 414 CB GLN A 26 -1.568 -39.975 13.444 1.00 32.01 C ATOM 415 CG GLN A 26 -1.851 -39.451 12.034 1.00 60.34 C ATOM 416 CD GLN A 26 -2.647 -40.419 11.170 1.00 75.10 C ATOM 417 OE1 GLN A 26 -2.589 -41.630 11.343 1.00 23.14 O ATOM 418 NE2 GLN A 26 -3.389 -39.885 10.222 1.00 1.33 N ATOM 0 H GLN A 26 -0.576 -40.780 15.596 1.00 33.04 H new ATOM 0 HA GLN A 26 -0.730 -41.902 12.924 1.00 61.53 H new ATOM 0 HB2 GLN A 26 -2.484 -40.406 13.849 1.00 32.01 H new ATOM 0 HB3 GLN A 26 -1.300 -39.135 14.084 1.00 32.01 H new ATOM 0 HG2 GLN A 26 -2.397 -38.511 12.108 1.00 60.34 H new ATOM 0 HG3 GLN A 26 -0.904 -39.232 11.541 1.00 60.34 H new ATOM 0 HE21 GLN A 26 -3.415 -38.872 10.105 1.00 1.33 H new ATOM 0 HE22 GLN A 26 -3.938 -40.484 9.605 1.00 1.33 H new ATOM 427 N ILE A 27 1.416 -39.465 13.631 1.00 22.34 N ATOM 428 CA ILE A 27 2.607 -38.748 13.160 1.00 72.51 C ATOM 429 C ILE A 27 3.808 -39.686 12.946 1.00 22.31 C ATOM 430 O ILE A 27 4.514 -39.581 11.940 1.00 13.33 O ATOM 431 CB ILE A 27 3.008 -37.622 14.147 1.00 11.22 C ATOM 432 CG1 ILE A 27 1.834 -36.649 14.352 1.00 64.52 C ATOM 433 CG2 ILE A 27 4.246 -36.871 13.647 1.00 31.32 C ATOM 434 CD1 ILE A 27 2.129 -35.530 15.329 1.00 1.33 C ATOM 0 H ILE A 27 1.067 -39.142 14.533 1.00 22.34 H new ATOM 0 HA ILE A 27 2.339 -38.311 12.198 1.00 72.51 H new ATOM 0 HB ILE A 27 3.255 -38.080 15.105 1.00 11.22 H new ATOM 0 HG12 ILE A 27 1.562 -36.216 13.390 1.00 64.52 H new ATOM 0 HG13 ILE A 27 0.968 -37.209 14.706 1.00 64.52 H new ATOM 0 HG21 ILE A 27 4.507 -36.086 14.357 1.00 31.32 H new ATOM 0 HG22 ILE A 27 5.080 -37.567 13.552 1.00 31.32 H new ATOM 0 HG23 ILE A 27 4.033 -36.425 12.675 1.00 31.32 H new ATOM 0 HD11 ILE A 27 1.254 -34.886 15.420 1.00 1.33 H new ATOM 0 HD12 ILE A 27 2.372 -35.953 16.304 1.00 1.33 H new ATOM 0 HD13 ILE A 27 2.974 -34.944 14.967 1.00 1.33 H new ATOM 446 N GLU A 28 4.028 -40.609 13.882 1.00 13.24 N ATOM 447 CA GLU A 28 5.171 -41.529 13.804 1.00 11.55 C ATOM 448 C GLU A 28 5.148 -42.368 12.516 1.00 33.44 C ATOM 449 O GLU A 28 6.197 -42.748 11.995 1.00 40.05 O ATOM 450 CB GLU A 28 5.217 -42.445 15.035 1.00 74.43 C ATOM 451 CG GLU A 28 4.023 -43.384 15.170 1.00 73.35 C ATOM 452 CD GLU A 28 4.153 -44.312 16.365 1.00 24.00 C ATOM 453 OE1 GLU A 28 4.896 -45.311 16.270 1.00 44.44 O ATOM 454 OE2 GLU A 28 3.530 -44.040 17.414 1.00 23.22 O ATOM 0 H GLU A 28 3.435 -40.742 14.701 1.00 13.24 H new ATOM 0 HA GLU A 28 6.074 -40.918 13.784 1.00 11.55 H new ATOM 0 HB2 GLU A 28 6.129 -43.041 14.995 1.00 74.43 H new ATOM 0 HB3 GLU A 28 5.280 -41.826 15.930 1.00 74.43 H new ATOM 0 HG2 GLU A 28 3.110 -42.796 15.267 1.00 73.35 H new ATOM 0 HG3 GLU A 28 3.925 -43.977 14.261 1.00 73.35 H new ATOM 461 N SER A 29 3.952 -42.634 11.992 1.00 11.20 N ATOM 462 CA SER A 29 3.812 -43.384 10.736 1.00 40.20 C ATOM 463 C SER A 29 4.346 -42.564 9.552 1.00 71.51 C ATOM 464 O SER A 29 4.959 -43.102 8.628 1.00 1.11 O ATOM 465 CB SER A 29 2.347 -43.769 10.490 1.00 72.11 C ATOM 466 OG SER A 29 2.224 -44.617 9.358 1.00 53.31 O ATOM 0 H SER A 29 3.068 -42.345 12.412 1.00 11.20 H new ATOM 0 HA SER A 29 4.401 -44.297 10.824 1.00 40.20 H new ATOM 0 HB2 SER A 29 1.947 -44.272 11.370 1.00 72.11 H new ATOM 0 HB3 SER A 29 1.751 -42.868 10.340 1.00 72.11 H new ATOM 0 HG SER A 29 1.281 -44.849 9.224 1.00 53.31 H new ATOM 472 N TYR A 30 4.122 -41.250 9.598 1.00 53.01 N ATOM 473 CA TYR A 30 4.653 -40.334 8.581 1.00 64.44 C ATOM 474 C TYR A 30 6.153 -40.070 8.809 1.00 11.51 C ATOM 475 O TYR A 30 6.909 -39.840 7.861 1.00 21.34 O ATOM 476 CB TYR A 30 3.888 -39.005 8.597 1.00 74.23 C ATOM 477 CG TYR A 30 2.400 -39.136 8.321 1.00 41.15 C ATOM 478 CD1 TYR A 30 1.934 -39.550 7.076 1.00 72.14 C ATOM 479 CD2 TYR A 30 1.462 -38.844 9.304 1.00 51.30 C ATOM 480 CE1 TYR A 30 0.578 -39.666 6.823 1.00 42.53 C ATOM 481 CE2 TYR A 30 0.108 -38.957 9.057 1.00 73.11 C ATOM 482 CZ TYR A 30 -0.330 -39.369 7.817 1.00 70.41 C ATOM 483 OH TYR A 30 -1.681 -39.478 7.572 1.00 3.23 O ATOM 0 H TYR A 30 3.576 -40.793 10.329 1.00 53.01 H new ATOM 0 HA TYR A 30 4.523 -40.807 7.608 1.00 64.44 H new ATOM 0 HB2 TYR A 30 4.025 -38.532 9.570 1.00 74.23 H new ATOM 0 HB3 TYR A 30 4.326 -38.338 7.854 1.00 74.23 H new ATOM 0 HD1 TYR A 30 2.642 -39.784 6.295 1.00 72.14 H new ATOM 0 HD2 TYR A 30 1.798 -38.523 10.279 1.00 51.30 H new ATOM 0 HE1 TYR A 30 0.233 -39.988 5.851 1.00 42.53 H new ATOM 0 HE2 TYR A 30 -0.606 -38.723 9.833 1.00 73.11 H new ATOM 0 HH TYR A 30 -1.837 -40.179 6.905 1.00 3.23 H new ATOM 493 N ARG A 31 6.571 -40.102 10.076 1.00 41.13 N ATOM 494 CA ARG A 31 7.979 -39.904 10.453 1.00 75.15 C ATOM 495 C ARG A 31 8.901 -40.959 9.818 1.00 71.41 C ATOM 496 O ARG A 31 10.092 -40.717 9.618 1.00 14.25 O ATOM 497 CB ARG A 31 8.123 -39.930 11.984 1.00 13.12 C ATOM 498 CG ARG A 31 7.605 -38.671 12.677 1.00 21.21 C ATOM 499 CD ARG A 31 7.606 -38.804 14.198 1.00 64.14 C ATOM 500 NE ARG A 31 8.878 -39.294 14.720 1.00 3.13 N ATOM 501 CZ ARG A 31 9.162 -39.372 15.991 1.00 1.13 C ATOM 502 NH1 ARG A 31 8.304 -38.998 16.885 1.00 55.23 N ATOM 503 NH2 ARG A 31 10.310 -39.833 16.366 1.00 42.34 N ATOM 0 H ARG A 31 5.950 -40.265 10.868 1.00 41.13 H new ATOM 0 HA ARG A 31 8.286 -38.930 10.073 1.00 75.15 H new ATOM 0 HB2 ARG A 31 7.586 -40.795 12.375 1.00 13.12 H new ATOM 0 HB3 ARG A 31 9.174 -40.066 12.238 1.00 13.12 H new ATOM 0 HG2 ARG A 31 8.222 -37.820 12.389 1.00 21.21 H new ATOM 0 HG3 ARG A 31 6.592 -38.461 12.334 1.00 21.21 H new ATOM 0 HD2 ARG A 31 7.385 -37.834 14.644 1.00 64.14 H new ATOM 0 HD3 ARG A 31 6.808 -39.483 14.500 1.00 64.14 H new ATOM 0 HE ARG A 31 9.587 -39.593 14.051 1.00 3.13 H new ATOM 0 HH11 ARG A 31 7.394 -38.637 16.599 1.00 55.23 H new ATOM 0 HH12 ARG A 31 8.538 -39.064 17.876 1.00 55.23 H new ATOM 0 HH21 ARG A 31 10.991 -40.135 15.669 1.00 42.34 H new ATOM 0 HH22 ARG A 31 10.535 -39.895 17.359 1.00 42.34 H new ATOM 517 N GLN A 32 8.347 -42.123 9.499 1.00 14.33 N ATOM 518 CA GLN A 32 9.124 -43.205 8.889 1.00 63.41 C ATOM 519 C GLN A 32 9.005 -43.200 7.353 1.00 52.33 C ATOM 520 O GLN A 32 9.412 -44.156 6.684 1.00 40.44 O ATOM 521 CB GLN A 32 8.660 -44.555 9.454 1.00 64.51 C ATOM 522 CG GLN A 32 8.703 -44.625 10.978 1.00 51.44 C ATOM 523 CD GLN A 32 10.087 -44.350 11.547 1.00 1.34 C ATOM 524 OE1 GLN A 32 10.438 -43.212 11.843 1.00 1.43 O ATOM 525 NE2 GLN A 32 10.885 -45.388 11.698 1.00 61.23 N ATOM 0 H GLN A 32 7.363 -42.345 9.651 1.00 14.33 H new ATOM 0 HA GLN A 32 10.174 -43.046 9.134 1.00 63.41 H new ATOM 0 HB2 GLN A 32 7.642 -44.750 9.118 1.00 64.51 H new ATOM 0 HB3 GLN A 32 9.288 -45.346 9.044 1.00 64.51 H new ATOM 0 HG2 GLN A 32 7.997 -43.903 11.389 1.00 51.44 H new ATOM 0 HG3 GLN A 32 8.373 -45.613 11.300 1.00 51.44 H new ATOM 0 HE21 GLN A 32 10.562 -46.321 11.442 1.00 61.23 H new ATOM 0 HE22 GLN A 32 11.826 -45.258 12.071 1.00 61.23 H new ATOM 534 N GLY A 33 8.462 -42.114 6.794 1.00 63.23 N ATOM 535 CA GLY A 33 8.279 -42.025 5.344 1.00 42.23 C ATOM 536 C GLY A 33 8.364 -40.602 4.789 1.00 71.51 C ATOM 537 O GLY A 33 9.428 -40.160 4.354 1.00 21.22 O ATOM 0 H GLY A 33 8.146 -41.296 7.315 1.00 63.23 H new ATOM 0 HA2 GLY A 33 9.035 -42.640 4.855 1.00 42.23 H new ATOM 0 HA3 GLY A 33 7.308 -42.447 5.085 1.00 42.23 H new ATOM 541 N ALA A 34 7.241 -39.885 4.809 1.00 54.34 N ATOM 542 CA ALA A 34 7.152 -38.548 4.199 1.00 5.32 C ATOM 543 C ALA A 34 8.014 -37.501 4.928 1.00 33.13 C ATOM 544 O ALA A 34 8.359 -36.458 4.360 1.00 71.52 O ATOM 545 CB ALA A 34 5.698 -38.093 4.153 1.00 61.40 C ATOM 0 H ALA A 34 6.374 -40.204 5.241 1.00 54.34 H new ATOM 0 HA ALA A 34 7.546 -38.631 3.186 1.00 5.32 H new ATOM 0 HB1 ALA A 34 5.641 -37.103 3.700 1.00 61.40 H new ATOM 0 HB2 ALA A 34 5.115 -38.797 3.560 1.00 61.40 H new ATOM 0 HB3 ALA A 34 5.297 -38.053 5.166 1.00 61.40 H new ATOM 551 N TRP A 35 8.346 -37.766 6.187 1.00 5.13 N ATOM 552 CA TRP A 35 9.182 -36.849 6.967 1.00 2.14 C ATOM 553 C TRP A 35 10.645 -36.871 6.493 1.00 12.32 C ATOM 554 O TRP A 35 11.401 -37.803 6.777 1.00 32.25 O ATOM 555 CB TRP A 35 9.101 -37.183 8.463 1.00 12.53 C ATOM 556 CG TRP A 35 7.977 -36.504 9.210 1.00 73.44 C ATOM 557 CD1 TRP A 35 8.018 -36.089 10.510 1.00 21.40 C ATOM 558 CD2 TRP A 35 6.665 -36.148 8.724 1.00 73.21 C ATOM 559 NE1 TRP A 35 6.822 -35.526 10.870 1.00 53.20 N ATOM 560 CE2 TRP A 35 5.979 -35.545 9.796 1.00 15.03 C ATOM 561 CE3 TRP A 35 6.000 -36.281 7.500 1.00 14.22 C ATOM 562 CZ2 TRP A 35 4.673 -35.080 9.682 1.00 60.52 C ATOM 563 CZ3 TRP A 35 4.703 -35.814 7.387 1.00 63.14 C ATOM 564 CH2 TRP A 35 4.051 -35.222 8.474 1.00 12.12 C ATOM 0 H TRP A 35 8.053 -38.603 6.691 1.00 5.13 H new ATOM 0 HA TRP A 35 8.797 -35.842 6.809 1.00 2.14 H new ATOM 0 HB2 TRP A 35 8.991 -38.262 8.573 1.00 12.53 H new ATOM 0 HB3 TRP A 35 10.046 -36.910 8.932 1.00 12.53 H new ATOM 0 HD1 TRP A 35 8.873 -36.190 11.163 1.00 21.40 H new ATOM 0 HE1 TRP A 35 6.597 -35.153 11.792 1.00 53.20 H new ATOM 0 HE3 TRP A 35 6.492 -36.741 6.656 1.00 14.22 H new ATOM 0 HZ2 TRP A 35 4.168 -34.622 10.520 1.00 60.52 H new ATOM 0 HZ3 TRP A 35 4.185 -35.908 6.444 1.00 63.14 H new ATOM 0 HH2 TRP A 35 3.037 -34.871 8.356 1.00 12.12 H new ATOM 575 N ILE A 36 11.027 -35.820 5.774 1.00 62.13 N ATOM 576 CA ILE A 36 12.397 -35.652 5.276 1.00 75.53 C ATOM 577 C ILE A 36 13.151 -34.618 6.126 1.00 35.14 C ATOM 578 O ILE A 36 12.616 -33.542 6.408 1.00 41.21 O ATOM 579 CB ILE A 36 12.388 -35.176 3.797 1.00 51.31 C ATOM 580 CG1 ILE A 36 11.573 -36.144 2.923 1.00 43.12 C ATOM 581 CG2 ILE A 36 13.813 -35.033 3.259 1.00 75.14 C ATOM 582 CD1 ILE A 36 11.380 -35.665 1.497 1.00 24.41 C ATOM 0 H ILE A 36 10.399 -35.058 5.518 1.00 62.13 H new ATOM 0 HA ILE A 36 12.898 -36.618 5.342 1.00 75.53 H new ATOM 0 HB ILE A 36 11.914 -34.195 3.760 1.00 51.31 H new ATOM 0 HG12 ILE A 36 12.073 -37.113 2.907 1.00 43.12 H new ATOM 0 HG13 ILE A 36 10.596 -36.297 3.381 1.00 43.12 H new ATOM 0 HG21 ILE A 36 13.779 -34.699 2.222 1.00 75.14 H new ATOM 0 HG22 ILE A 36 14.356 -34.302 3.858 1.00 75.14 H new ATOM 0 HG23 ILE A 36 14.321 -35.996 3.313 1.00 75.14 H new ATOM 0 HD11 ILE A 36 10.796 -36.400 0.942 1.00 24.41 H new ATOM 0 HD12 ILE A 36 10.853 -34.711 1.502 1.00 24.41 H new ATOM 0 HD13 ILE A 36 12.352 -35.539 1.021 1.00 24.41 H new ATOM 594 N GLU A 37 14.381 -34.934 6.531 1.00 20.02 N ATOM 595 CA GLU A 37 15.176 -34.009 7.352 1.00 75.44 C ATOM 596 C GLU A 37 15.480 -32.709 6.582 1.00 12.04 C ATOM 597 O GLU A 37 15.709 -32.729 5.370 1.00 2.24 O ATOM 598 CB GLU A 37 16.482 -34.672 7.829 1.00 10.55 C ATOM 599 CG GLU A 37 17.430 -35.079 6.706 1.00 33.05 C ATOM 600 CD GLU A 37 18.757 -35.616 7.226 1.00 61.02 C ATOM 601 OE1 GLU A 37 19.559 -34.811 7.751 1.00 2.43 O ATOM 602 OE2 GLU A 37 19.007 -36.835 7.109 1.00 62.52 O ATOM 0 H GLU A 37 14.848 -35.813 6.309 1.00 20.02 H new ATOM 0 HA GLU A 37 14.584 -33.755 8.231 1.00 75.44 H new ATOM 0 HB2 GLU A 37 17.002 -33.984 8.495 1.00 10.55 H new ATOM 0 HB3 GLU A 37 16.233 -35.556 8.416 1.00 10.55 H new ATOM 0 HG2 GLU A 37 16.951 -35.839 6.089 1.00 33.05 H new ATOM 0 HG3 GLU A 37 17.617 -34.219 6.064 1.00 33.05 H new ATOM 609 N GLY A 38 15.454 -31.579 7.287 1.00 75.44 N ATOM 610 CA GLY A 38 15.650 -30.276 6.652 1.00 30.44 C ATOM 611 C GLY A 38 14.385 -29.742 5.972 1.00 50.33 C ATOM 612 O GLY A 38 14.051 -28.562 6.098 1.00 42.10 O ATOM 0 H GLY A 38 15.300 -31.539 8.294 1.00 75.44 H new ATOM 0 HA2 GLY A 38 15.982 -29.559 7.403 1.00 30.44 H new ATOM 0 HA3 GLY A 38 16.447 -30.355 5.913 1.00 30.44 H new ATOM 616 N VAL A 39 13.680 -30.616 5.251 1.00 62.35 N ATOM 617 CA VAL A 39 12.473 -30.228 4.504 1.00 13.42 C ATOM 618 C VAL A 39 11.205 -30.228 5.385 1.00 11.23 C ATOM 619 O VAL A 39 10.450 -29.257 5.400 1.00 1.42 O ATOM 620 CB VAL A 39 12.253 -31.175 3.294 1.00 21.13 C ATOM 621 CG1 VAL A 39 11.026 -30.762 2.482 1.00 23.43 C ATOM 622 CG2 VAL A 39 13.498 -31.217 2.408 1.00 52.22 C ATOM 0 H VAL A 39 13.923 -31.603 5.166 1.00 62.35 H new ATOM 0 HA VAL A 39 12.640 -29.209 4.156 1.00 13.42 H new ATOM 0 HB VAL A 39 12.073 -32.177 3.683 1.00 21.13 H new ATOM 0 HG11 VAL A 39 10.899 -31.445 1.642 1.00 23.43 H new ATOM 0 HG12 VAL A 39 10.140 -30.799 3.117 1.00 23.43 H new ATOM 0 HG13 VAL A 39 11.162 -29.747 2.108 1.00 23.43 H new ATOM 0 HG21 VAL A 39 13.323 -31.886 1.566 1.00 52.22 H new ATOM 0 HG22 VAL A 39 13.714 -30.215 2.037 1.00 52.22 H new ATOM 0 HG23 VAL A 39 14.346 -31.579 2.989 1.00 52.22 H new ATOM 632 N HIS A 40 10.969 -31.328 6.105 1.00 23.31 N ATOM 633 CA HIS A 40 9.752 -31.480 6.925 1.00 21.04 C ATOM 634 C HIS A 40 10.050 -31.473 8.437 1.00 75.03 C ATOM 635 O HIS A 40 9.148 -31.253 9.244 1.00 73.14 O ATOM 636 CB HIS A 40 9.004 -32.762 6.528 1.00 12.22 C ATOM 637 CG HIS A 40 8.389 -32.691 5.159 1.00 1.03 C ATOM 638 ND1 HIS A 40 8.928 -33.311 4.050 1.00 73.42 N ATOM 639 CD2 HIS A 40 7.267 -32.068 4.723 1.00 63.30 C ATOM 640 CE1 HIS A 40 8.168 -33.070 3.000 1.00 64.40 C ATOM 641 NE2 HIS A 40 7.157 -32.319 3.379 1.00 13.20 N ATOM 0 H HIS A 40 11.600 -32.128 6.140 1.00 23.31 H new ATOM 0 HA HIS A 40 9.119 -30.615 6.726 1.00 21.04 H new ATOM 0 HB2 HIS A 40 9.695 -33.604 6.565 1.00 12.22 H new ATOM 0 HB3 HIS A 40 8.221 -32.960 7.261 1.00 12.22 H new ATOM 0 HD2 HIS A 40 6.586 -31.482 5.323 1.00 63.30 H new ATOM 0 HE1 HIS A 40 8.346 -33.429 1.997 1.00 64.40 H new ATOM 0 HE2 HIS A 40 6.412 -31.978 2.772 1.00 13.20 H new ATOM 650 N PHE A 41 11.304 -31.717 8.815 1.00 22.42 N ATOM 651 CA PHE A 41 11.726 -31.604 10.223 1.00 34.21 C ATOM 652 C PHE A 41 13.237 -31.336 10.315 1.00 34.05 C ATOM 653 O PHE A 41 14.012 -31.853 9.511 1.00 55.21 O ATOM 654 CB PHE A 41 11.358 -32.869 11.025 1.00 12.42 C ATOM 655 CG PHE A 41 12.163 -34.098 10.670 1.00 2.40 C ATOM 656 CD1 PHE A 41 11.797 -34.904 9.604 1.00 3.32 C ATOM 657 CD2 PHE A 41 13.288 -34.447 11.409 1.00 14.23 C ATOM 658 CE1 PHE A 41 12.532 -36.030 9.284 1.00 52.20 C ATOM 659 CE2 PHE A 41 14.025 -35.571 11.092 1.00 51.04 C ATOM 660 CZ PHE A 41 13.648 -36.362 10.027 1.00 34.31 C ATOM 0 H PHE A 41 12.048 -31.993 8.174 1.00 22.42 H new ATOM 0 HA PHE A 41 11.192 -30.761 10.661 1.00 34.21 H new ATOM 0 HB2 PHE A 41 11.488 -32.660 12.087 1.00 12.42 H new ATOM 0 HB3 PHE A 41 10.301 -33.086 10.870 1.00 12.42 H new ATOM 0 HD1 PHE A 41 10.927 -34.649 9.016 1.00 3.32 H new ATOM 0 HD2 PHE A 41 13.590 -33.830 12.243 1.00 14.23 H new ATOM 0 HE1 PHE A 41 12.233 -36.651 8.452 1.00 52.20 H new ATOM 0 HE2 PHE A 41 14.895 -35.830 11.677 1.00 51.04 H new ATOM 0 HZ PHE A 41 14.224 -37.240 9.774 1.00 34.31 H new ATOM 670 N LYS A 42 13.657 -30.533 11.294 1.00 52.11 N ATOM 671 CA LYS A 42 15.076 -30.168 11.445 1.00 11.22 C ATOM 672 C LYS A 42 15.635 -30.587 12.815 1.00 20.11 C ATOM 673 O LYS A 42 14.892 -30.742 13.787 1.00 74.30 O ATOM 674 CB LYS A 42 15.261 -28.652 11.267 1.00 21.24 C ATOM 675 CG LYS A 42 14.629 -27.818 12.380 1.00 72.34 C ATOM 676 CD LYS A 42 14.989 -26.338 12.257 1.00 21.14 C ATOM 677 CE LYS A 42 14.478 -25.532 13.449 1.00 32.24 C ATOM 678 NZ LYS A 42 14.913 -24.110 13.389 1.00 3.43 N ATOM 0 H LYS A 42 13.041 -30.121 11.995 1.00 52.11 H new ATOM 0 HA LYS A 42 15.627 -30.703 10.672 1.00 11.22 H new ATOM 0 HB2 LYS A 42 16.327 -28.429 11.219 1.00 21.24 H new ATOM 0 HB3 LYS A 42 14.830 -28.353 10.312 1.00 21.24 H new ATOM 0 HG2 LYS A 42 13.545 -27.932 12.348 1.00 72.34 H new ATOM 0 HG3 LYS A 42 14.961 -28.193 13.348 1.00 72.34 H new ATOM 0 HD2 LYS A 42 16.071 -26.232 12.183 1.00 21.14 H new ATOM 0 HD3 LYS A 42 14.565 -25.936 11.337 1.00 21.14 H new ATOM 0 HE2 LYS A 42 13.389 -25.577 13.477 1.00 32.24 H new ATOM 0 HE3 LYS A 42 14.840 -25.983 14.373 1.00 32.24 H new ATOM 0 HZ1 LYS A 42 14.545 -23.599 14.217 1.00 3.43 H new ATOM 0 HZ2 LYS A 42 15.952 -24.065 13.388 1.00 3.43 H new ATOM 0 HZ3 LYS A 42 14.547 -23.671 12.520 1.00 3.43 H new ATOM 692 N ARG A 43 16.955 -30.759 12.886 1.00 52.03 N ATOM 693 CA ARG A 43 17.629 -31.075 14.153 1.00 2.40 C ATOM 694 C ARG A 43 18.179 -29.800 14.819 1.00 51.34 C ATOM 695 O ARG A 43 18.641 -28.881 14.139 1.00 13.34 O ATOM 696 CB ARG A 43 18.776 -32.074 13.923 1.00 1.35 C ATOM 697 CG ARG A 43 19.951 -31.503 13.128 1.00 53.34 C ATOM 698 CD ARG A 43 21.079 -32.517 12.965 1.00 32.24 C ATOM 699 NE ARG A 43 22.238 -31.943 12.280 1.00 22.43 N ATOM 700 CZ ARG A 43 23.477 -32.297 12.505 1.00 33.24 C ATOM 701 NH1 ARG A 43 23.755 -33.196 13.391 1.00 11.12 N ATOM 702 NH2 ARG A 43 24.441 -31.746 11.845 1.00 11.24 N ATOM 0 H ARG A 43 17.581 -30.686 12.084 1.00 52.03 H new ATOM 0 HA ARG A 43 16.891 -31.526 14.817 1.00 2.40 H new ATOM 0 HB2 ARG A 43 19.140 -32.422 14.890 1.00 1.35 H new ATOM 0 HB3 ARG A 43 18.385 -32.945 13.398 1.00 1.35 H new ATOM 0 HG2 ARG A 43 19.603 -31.187 12.145 1.00 53.34 H new ATOM 0 HG3 ARG A 43 20.332 -30.615 13.632 1.00 53.34 H new ATOM 0 HD2 ARG A 43 21.382 -32.883 13.946 1.00 32.24 H new ATOM 0 HD3 ARG A 43 20.715 -33.377 12.403 1.00 32.24 H new ATOM 0 HE ARG A 43 22.068 -31.219 11.581 1.00 22.43 H new ATOM 0 HH11 ARG A 43 23.005 -33.637 13.923 1.00 11.12 H new ATOM 0 HH12 ARG A 43 24.725 -33.464 13.558 1.00 11.12 H new ATOM 0 HH21 ARG A 43 24.237 -31.032 11.145 1.00 11.24 H new ATOM 0 HH22 ARG A 43 25.406 -32.025 12.023 1.00 11.24 H new ATOM 716 N VAL A 44 18.120 -29.742 16.147 1.00 24.12 N ATOM 717 CA VAL A 44 18.648 -28.598 16.901 1.00 61.11 C ATOM 718 C VAL A 44 19.456 -29.055 18.130 1.00 20.52 C ATOM 719 O VAL A 44 18.887 -29.428 19.158 1.00 50.44 O ATOM 720 CB VAL A 44 17.505 -27.651 17.358 1.00 63.01 C ATOM 721 CG1 VAL A 44 18.046 -26.513 18.217 1.00 40.52 C ATOM 722 CG2 VAL A 44 16.736 -27.099 16.156 1.00 63.41 C ATOM 0 H VAL A 44 17.712 -30.474 16.728 1.00 24.12 H new ATOM 0 HA VAL A 44 19.312 -28.056 16.228 1.00 61.11 H new ATOM 0 HB VAL A 44 16.814 -28.235 17.965 1.00 63.01 H new ATOM 0 HG11 VAL A 44 17.224 -25.866 18.523 1.00 40.52 H new ATOM 0 HG12 VAL A 44 18.532 -26.924 19.101 1.00 40.52 H new ATOM 0 HG13 VAL A 44 18.769 -25.935 17.641 1.00 40.52 H new ATOM 0 HG21 VAL A 44 15.941 -26.439 16.504 1.00 63.41 H new ATOM 0 HG22 VAL A 44 17.417 -26.540 15.514 1.00 63.41 H new ATOM 0 HG23 VAL A 44 16.301 -27.924 15.592 1.00 63.41 H new ATOM 876 N THR A 55 17.160 -31.221 20.305 1.00 13.23 N ATOM 877 CA THR A 55 15.713 -31.277 20.059 1.00 14.02 C ATOM 878 C THR A 55 15.402 -31.375 18.557 1.00 13.55 C ATOM 879 O THR A 55 16.116 -30.814 17.725 1.00 22.24 O ATOM 880 CB THR A 55 15.002 -30.021 20.634 1.00 53.44 C ATOM 881 OG1 THR A 55 15.310 -29.866 22.029 1.00 63.35 O ATOM 882 CG2 THR A 55 13.486 -30.105 20.461 1.00 21.31 C ATOM 0 HA THR A 55 15.342 -32.171 20.561 1.00 14.02 H new ATOM 0 HB THR A 55 15.368 -29.158 20.077 1.00 53.44 H new ATOM 0 HG1 THR A 55 16.218 -30.191 22.202 1.00 63.35 H new ATOM 0 HG21 THR A 55 13.022 -29.209 20.875 1.00 21.31 H new ATOM 0 HG22 THR A 55 13.244 -30.182 19.401 1.00 21.31 H new ATOM 0 HG23 THR A 55 13.108 -30.984 20.984 1.00 21.31 H new ATOM 890 N THR A 56 14.336 -32.095 18.218 1.00 13.32 N ATOM 891 CA THR A 56 13.900 -32.234 16.822 1.00 24.30 C ATOM 892 C THR A 56 12.621 -31.425 16.563 1.00 53.35 C ATOM 893 O THR A 56 11.541 -31.777 17.047 1.00 4.31 O ATOM 894 CB THR A 56 13.650 -33.720 16.452 1.00 3.43 C ATOM 895 OG1 THR A 56 14.827 -34.504 16.723 1.00 64.32 O ATOM 896 CG2 THR A 56 13.270 -33.870 14.980 1.00 3.12 C ATOM 0 H THR A 56 13.753 -32.595 18.890 1.00 13.32 H new ATOM 0 HA THR A 56 14.704 -31.847 16.196 1.00 24.30 H new ATOM 0 HB THR A 56 12.821 -34.078 17.062 1.00 3.43 H new ATOM 0 HG1 THR A 56 14.658 -35.440 16.488 1.00 64.32 H new ATOM 0 HG21 THR A 56 13.102 -34.923 14.753 1.00 3.12 H new ATOM 0 HG22 THR A 56 12.359 -33.306 14.780 1.00 3.12 H new ATOM 0 HG23 THR A 56 14.078 -33.489 14.355 1.00 3.12 H new ATOM 904 N TRP A 57 12.749 -30.338 15.803 1.00 54.12 N ATOM 905 CA TRP A 57 11.616 -29.445 15.523 1.00 44.44 C ATOM 906 C TRP A 57 10.944 -29.787 14.185 1.00 42.12 C ATOM 907 O TRP A 57 11.615 -29.980 13.172 1.00 65.10 O ATOM 908 CB TRP A 57 12.080 -27.983 15.519 1.00 60.43 C ATOM 909 CG TRP A 57 12.580 -27.508 16.857 1.00 73.43 C ATOM 910 CD1 TRP A 57 13.748 -27.860 17.473 1.00 21.22 C ATOM 911 CD2 TRP A 57 11.922 -26.594 17.745 1.00 13.42 C ATOM 912 NE1 TRP A 57 13.857 -27.215 18.681 1.00 4.01 N ATOM 913 CE2 TRP A 57 12.749 -26.438 18.872 1.00 11.21 C ATOM 914 CE3 TRP A 57 10.715 -25.894 17.694 1.00 63.01 C ATOM 915 CZ2 TRP A 57 12.409 -25.610 19.937 1.00 35.11 C ATOM 916 CZ3 TRP A 57 10.376 -25.073 18.753 1.00 1.33 C ATOM 917 CH2 TRP A 57 11.220 -24.938 19.863 1.00 11.02 C ATOM 0 H TRP A 57 13.626 -30.051 15.368 1.00 54.12 H new ATOM 0 HA TRP A 57 10.880 -29.587 16.314 1.00 44.44 H new ATOM 0 HB2 TRP A 57 12.873 -27.864 14.781 1.00 60.43 H new ATOM 0 HB3 TRP A 57 11.252 -27.348 15.203 1.00 60.43 H new ATOM 0 HD1 TRP A 57 14.479 -28.545 17.069 1.00 21.22 H new ATOM 0 HE1 TRP A 57 14.639 -27.302 19.331 1.00 4.01 H new ATOM 0 HE3 TRP A 57 10.058 -25.992 16.842 1.00 63.01 H new ATOM 0 HZ2 TRP A 57 13.061 -25.502 20.792 1.00 35.11 H new ATOM 0 HZ3 TRP A 57 9.445 -24.526 18.724 1.00 1.33 H new ATOM 0 HH2 TRP A 57 10.926 -24.291 20.676 1.00 11.02 H new ATOM 928 N TYR A 58 9.616 -29.848 14.194 1.00 51.21 N ATOM 929 CA TYR A 58 8.836 -30.206 13.005 1.00 31.24 C ATOM 930 C TYR A 58 8.329 -28.959 12.265 1.00 70.41 C ATOM 931 O TYR A 58 7.893 -27.984 12.884 1.00 44.52 O ATOM 932 CB TYR A 58 7.658 -31.107 13.408 1.00 62.41 C ATOM 933 CG TYR A 58 8.094 -32.436 14.003 1.00 4.55 C ATOM 934 CD1 TYR A 58 8.585 -32.511 15.303 1.00 52.30 C ATOM 935 CD2 TYR A 58 8.026 -33.613 13.263 1.00 12.34 C ATOM 936 CE1 TYR A 58 9.000 -33.712 15.842 1.00 44.14 C ATOM 937 CE2 TYR A 58 8.437 -34.820 13.800 1.00 74.13 C ATOM 938 CZ TYR A 58 8.922 -34.863 15.089 1.00 23.44 C ATOM 939 OH TYR A 58 9.336 -36.059 15.626 1.00 74.02 O ATOM 0 H TYR A 58 9.049 -29.653 15.019 1.00 51.21 H new ATOM 0 HA TYR A 58 9.489 -30.749 12.321 1.00 31.24 H new ATOM 0 HB2 TYR A 58 7.037 -30.579 14.132 1.00 62.41 H new ATOM 0 HB3 TYR A 58 7.037 -31.295 12.532 1.00 62.41 H new ATOM 0 HD1 TYR A 58 8.642 -31.613 15.901 1.00 52.30 H new ATOM 0 HD2 TYR A 58 7.646 -33.584 12.253 1.00 12.34 H new ATOM 0 HE1 TYR A 58 9.385 -33.749 16.851 1.00 44.14 H new ATOM 0 HE2 TYR A 58 8.378 -35.724 13.212 1.00 74.13 H new ATOM 0 HH TYR A 58 9.199 -36.047 16.596 1.00 74.02 H new ATOM 949 N ASN A 59 8.389 -29.000 10.936 1.00 23.12 N ATOM 950 CA ASN A 59 7.966 -27.874 10.098 1.00 53.15 C ATOM 951 C ASN A 59 6.436 -27.839 9.934 1.00 43.32 C ATOM 952 O ASN A 59 5.884 -28.509 9.058 1.00 2.51 O ATOM 953 CB ASN A 59 8.628 -27.963 8.713 1.00 34.11 C ATOM 954 CG ASN A 59 10.144 -28.028 8.780 1.00 41.11 C ATOM 955 OD1 ASN A 59 10.720 -28.527 9.735 1.00 23.44 O ATOM 956 ND2 ASN A 59 10.803 -27.542 7.751 1.00 40.11 N ATOM 0 H ASN A 59 8.729 -29.806 10.411 1.00 23.12 H new ATOM 0 HA ASN A 59 8.280 -26.956 10.596 1.00 53.15 H new ATOM 0 HB2 ASN A 59 8.255 -28.846 8.195 1.00 34.11 H new ATOM 0 HB3 ASN A 59 8.333 -27.097 8.120 1.00 34.11 H new ATOM 0 HD21 ASN A 59 11.822 -27.576 7.736 1.00 40.11 H new ATOM 0 HD22 ASN A 59 10.295 -27.131 6.968 1.00 40.11 H new ATOM 963 N TYR A 60 5.755 -27.055 10.773 1.00 61.42 N ATOM 964 CA TYR A 60 4.288 -26.939 10.711 1.00 54.51 C ATOM 965 C TYR A 60 3.783 -26.505 9.314 1.00 61.30 C ATOM 966 O TYR A 60 2.883 -27.142 8.766 1.00 74.31 O ATOM 967 CB TYR A 60 3.771 -25.972 11.787 1.00 41.11 C ATOM 968 CG TYR A 60 2.274 -25.714 11.704 1.00 22.44 C ATOM 969 CD1 TYR A 60 1.354 -26.716 12.004 1.00 61.42 C ATOM 970 CD2 TYR A 60 1.783 -24.473 11.312 1.00 14.11 C ATOM 971 CE1 TYR A 60 -0.006 -26.487 11.914 1.00 55.24 C ATOM 972 CE2 TYR A 60 0.425 -24.238 11.225 1.00 43.24 C ATOM 973 CZ TYR A 60 -0.465 -25.247 11.523 1.00 13.35 C ATOM 974 OH TYR A 60 -1.819 -25.015 11.425 1.00 5.23 O ATOM 0 H TYR A 60 6.190 -26.491 11.503 1.00 61.42 H new ATOM 0 HA TYR A 60 3.889 -27.935 10.903 1.00 54.51 H new ATOM 0 HB2 TYR A 60 4.008 -26.376 12.771 1.00 41.11 H new ATOM 0 HB3 TYR A 60 4.300 -25.024 11.696 1.00 41.11 H new ATOM 0 HD1 TYR A 60 1.709 -27.688 12.312 1.00 61.42 H new ATOM 0 HD2 TYR A 60 2.476 -23.680 11.072 1.00 14.11 H new ATOM 0 HE1 TYR A 60 -0.706 -27.275 12.149 1.00 55.24 H new ATOM 0 HE2 TYR A 60 0.062 -23.266 10.924 1.00 43.24 H new ATOM 0 HH TYR A 60 -1.973 -24.091 11.138 1.00 5.23 H new ATOM 984 N PRO A 61 4.342 -25.425 8.707 1.00 21.01 N ATOM 985 CA PRO A 61 3.916 -24.966 7.369 1.00 52.45 C ATOM 986 C PRO A 61 4.041 -26.062 6.295 1.00 25.45 C ATOM 987 O PRO A 61 3.353 -26.021 5.279 1.00 63.32 O ATOM 988 CB PRO A 61 4.864 -23.789 7.060 1.00 12.12 C ATOM 989 CG PRO A 61 5.998 -23.940 8.020 1.00 35.45 C ATOM 990 CD PRO A 61 5.408 -24.566 9.253 1.00 62.32 C ATOM 0 HA PRO A 61 2.862 -24.688 7.361 1.00 52.45 H new ATOM 0 HB2 PRO A 61 5.214 -23.825 6.028 1.00 12.12 H new ATOM 0 HB3 PRO A 61 4.360 -22.832 7.193 1.00 12.12 H new ATOM 0 HG2 PRO A 61 6.785 -24.567 7.601 1.00 35.45 H new ATOM 0 HG3 PRO A 61 6.448 -22.974 8.249 1.00 35.45 H new ATOM 0 HD2 PRO A 61 6.148 -25.143 9.807 1.00 62.32 H new ATOM 0 HD3 PRO A 61 5.012 -23.816 9.937 1.00 62.32 H new ATOM 998 N GLU A 62 4.915 -27.041 6.533 1.00 34.50 N ATOM 999 CA GLU A 62 5.107 -28.168 5.608 1.00 11.53 C ATOM 1000 C GLU A 62 4.154 -29.330 5.920 1.00 1.24 C ATOM 1001 O GLU A 62 3.556 -29.914 5.014 1.00 13.31 O ATOM 1002 CB GLU A 62 6.564 -28.653 5.659 1.00 73.10 C ATOM 1003 CG GLU A 62 7.491 -27.913 4.704 1.00 24.25 C ATOM 1004 CD GLU A 62 7.262 -28.308 3.250 1.00 21.33 C ATOM 1005 OE1 GLU A 62 6.349 -27.752 2.606 1.00 14.22 O ATOM 1006 OE2 GLU A 62 7.997 -29.184 2.746 1.00 72.41 O ATOM 0 H GLU A 62 5.506 -27.079 7.363 1.00 34.50 H new ATOM 0 HA GLU A 62 4.879 -27.812 4.603 1.00 11.53 H new ATOM 0 HB2 GLU A 62 6.940 -28.540 6.676 1.00 73.10 H new ATOM 0 HB3 GLU A 62 6.591 -29.717 5.426 1.00 73.10 H new ATOM 0 HG2 GLU A 62 7.340 -26.839 4.814 1.00 24.25 H new ATOM 0 HG3 GLU A 62 8.527 -28.119 4.975 1.00 24.25 H new ATOM 1013 N ILE A 63 4.024 -29.669 7.200 1.00 74.24 N ATOM 1014 CA ILE A 63 3.134 -30.753 7.627 1.00 4.13 C ATOM 1015 C ILE A 63 1.662 -30.393 7.376 1.00 51.35 C ATOM 1016 O ILE A 63 0.912 -31.178 6.794 1.00 64.24 O ATOM 1017 CB ILE A 63 3.351 -31.092 9.124 1.00 43.45 C ATOM 1018 CG1 ILE A 63 4.809 -31.530 9.351 1.00 54.53 C ATOM 1019 CG2 ILE A 63 2.373 -32.174 9.588 1.00 61.14 C ATOM 1020 CD1 ILE A 63 5.154 -31.812 10.799 1.00 12.51 C ATOM 0 H ILE A 63 4.523 -29.210 7.962 1.00 74.24 H new ATOM 0 HA ILE A 63 3.380 -31.632 7.032 1.00 4.13 H new ATOM 0 HB ILE A 63 3.157 -30.200 9.719 1.00 43.45 H new ATOM 0 HG12 ILE A 63 5.003 -32.426 8.762 1.00 54.53 H new ATOM 0 HG13 ILE A 63 5.473 -30.751 8.976 1.00 54.53 H new ATOM 0 HG21 ILE A 63 2.546 -32.393 10.642 1.00 61.14 H new ATOM 0 HG22 ILE A 63 1.350 -31.822 9.454 1.00 61.14 H new ATOM 0 HG23 ILE A 63 2.525 -33.079 8.999 1.00 61.14 H new ATOM 0 HD11 ILE A 63 6.199 -32.114 10.872 1.00 12.51 H new ATOM 0 HD12 ILE A 63 4.994 -30.912 11.393 1.00 12.51 H new ATOM 0 HD13 ILE A 63 4.517 -32.613 11.175 1.00 12.51 H new ATOM 1032 N ASN A 64 1.262 -29.198 7.806 1.00 30.31 N ATOM 1033 CA ASN A 64 -0.088 -28.689 7.534 1.00 11.42 C ATOM 1034 C ASN A 64 -0.357 -28.666 6.020 1.00 3.43 C ATOM 1035 O ASN A 64 -1.393 -29.135 5.548 1.00 42.32 O ATOM 1036 CB ASN A 64 -0.249 -27.280 8.126 1.00 10.30 C ATOM 1037 CG ASN A 64 -1.651 -26.719 7.960 1.00 45.13 C ATOM 1038 OD1 ASN A 64 -2.634 -27.451 7.969 1.00 45.23 O ATOM 1039 ND2 ASN A 64 -1.752 -25.413 7.807 1.00 25.32 N ATOM 0 H ASN A 64 1.850 -28.562 8.344 1.00 30.31 H new ATOM 0 HA ASN A 64 -0.814 -29.353 8.004 1.00 11.42 H new ATOM 0 HB2 ASN A 64 0.001 -27.307 9.186 1.00 10.30 H new ATOM 0 HB3 ASN A 64 0.464 -26.608 7.648 1.00 10.30 H new ATOM 0 HD21 ASN A 64 -2.669 -24.983 7.691 1.00 25.32 H new ATOM 0 HD22 ASN A 64 -0.913 -24.833 7.804 1.00 25.32 H new ATOM 1046 N LYS A 65 0.602 -28.128 5.273 1.00 40.23 N ATOM 1047 CA LYS A 65 0.547 -28.107 3.807 1.00 43.04 C ATOM 1048 C LYS A 65 0.384 -29.520 3.218 1.00 71.24 C ATOM 1049 O LYS A 65 -0.399 -29.724 2.293 1.00 1.11 O ATOM 1050 CB LYS A 65 1.818 -27.427 3.276 1.00 73.15 C ATOM 1051 CG LYS A 65 2.165 -27.712 1.819 1.00 70.44 C ATOM 1052 CD LYS A 65 3.341 -26.850 1.359 1.00 42.44 C ATOM 1053 CE LYS A 65 4.048 -27.435 0.144 1.00 1.11 C ATOM 1054 NZ LYS A 65 4.763 -28.700 0.472 1.00 73.13 N ATOM 0 H LYS A 65 1.439 -27.694 5.661 1.00 40.23 H new ATOM 0 HA LYS A 65 -0.330 -27.541 3.494 1.00 43.04 H new ATOM 0 HB2 LYS A 65 1.709 -26.350 3.400 1.00 73.15 H new ATOM 0 HB3 LYS A 65 2.659 -27.736 3.897 1.00 73.15 H new ATOM 0 HG2 LYS A 65 2.414 -28.767 1.700 1.00 70.44 H new ATOM 0 HG3 LYS A 65 1.297 -27.516 1.189 1.00 70.44 H new ATOM 0 HD2 LYS A 65 2.983 -25.849 1.120 1.00 42.44 H new ATOM 0 HD3 LYS A 65 4.054 -26.747 2.177 1.00 42.44 H new ATOM 0 HE2 LYS A 65 3.319 -27.624 -0.644 1.00 1.11 H new ATOM 0 HE3 LYS A 65 4.759 -26.707 -0.247 1.00 1.11 H new ATOM 0 HZ1 LYS A 65 5.392 -28.957 -0.315 1.00 73.13 H new ATOM 0 HZ2 LYS A 65 5.327 -28.566 1.336 1.00 73.13 H new ATOM 0 HZ3 LYS A 65 4.070 -29.461 0.625 1.00 73.13 H new ATOM 1068 N PHE A 66 1.113 -30.488 3.771 1.00 2.43 N ATOM 1069 CA PHE A 66 1.022 -31.889 3.335 1.00 63.55 C ATOM 1070 C PHE A 66 -0.397 -32.446 3.552 1.00 62.54 C ATOM 1071 O PHE A 66 -0.984 -33.058 2.655 1.00 75.34 O ATOM 1072 CB PHE A 66 2.055 -32.730 4.101 1.00 2.34 C ATOM 1073 CG PHE A 66 2.043 -34.200 3.755 1.00 51.30 C ATOM 1074 CD1 PHE A 66 2.624 -34.658 2.580 1.00 13.24 C ATOM 1075 CD2 PHE A 66 1.441 -35.125 4.602 1.00 42.01 C ATOM 1076 CE1 PHE A 66 2.609 -36.004 2.260 1.00 53.21 C ATOM 1077 CE2 PHE A 66 1.423 -36.470 4.284 1.00 4.24 C ATOM 1078 CZ PHE A 66 2.006 -36.910 3.111 1.00 50.41 C ATOM 0 H PHE A 66 1.779 -30.330 4.527 1.00 2.43 H new ATOM 0 HA PHE A 66 1.236 -31.939 2.267 1.00 63.55 H new ATOM 0 HB2 PHE A 66 3.050 -32.331 3.903 1.00 2.34 H new ATOM 0 HB3 PHE A 66 1.875 -32.619 5.170 1.00 2.34 H new ATOM 0 HD1 PHE A 66 3.093 -33.955 1.908 1.00 13.24 H new ATOM 0 HD2 PHE A 66 0.982 -34.788 5.520 1.00 42.01 H new ATOM 0 HE1 PHE A 66 3.069 -36.346 1.345 1.00 53.21 H new ATOM 0 HE2 PHE A 66 0.953 -37.177 4.952 1.00 4.24 H new ATOM 0 HZ PHE A 66 1.990 -37.960 2.860 1.00 50.41 H new ATOM 1088 N ILE A 67 -0.942 -32.217 4.745 1.00 33.24 N ATOM 1089 CA ILE A 67 -2.300 -32.662 5.085 1.00 21.14 C ATOM 1090 C ILE A 67 -3.349 -32.019 4.160 1.00 54.34 C ATOM 1091 O ILE A 67 -4.169 -32.711 3.548 1.00 14.40 O ATOM 1092 CB ILE A 67 -2.638 -32.317 6.559 1.00 74.51 C ATOM 1093 CG1 ILE A 67 -1.616 -32.968 7.508 1.00 3.25 C ATOM 1094 CG2 ILE A 67 -4.061 -32.757 6.910 1.00 64.52 C ATOM 1095 CD1 ILE A 67 -1.771 -32.551 8.956 1.00 73.31 C ATOM 0 H ILE A 67 -0.464 -31.723 5.499 1.00 33.24 H new ATOM 0 HA ILE A 67 -2.329 -33.743 4.950 1.00 21.14 H new ATOM 0 HB ILE A 67 -2.582 -31.235 6.680 1.00 74.51 H new ATOM 0 HG12 ILE A 67 -1.711 -34.052 7.440 1.00 3.25 H new ATOM 0 HG13 ILE A 67 -0.610 -32.714 7.173 1.00 3.25 H new ATOM 0 HG21 ILE A 67 -4.274 -32.504 7.949 1.00 64.52 H new ATOM 0 HG22 ILE A 67 -4.771 -32.246 6.259 1.00 64.52 H new ATOM 0 HG23 ILE A 67 -4.153 -33.834 6.773 1.00 64.52 H new ATOM 0 HD11 ILE A 67 -1.015 -33.051 9.562 1.00 73.31 H new ATOM 0 HD12 ILE A 67 -1.646 -31.471 9.039 1.00 73.31 H new ATOM 0 HD13 ILE A 67 -2.763 -32.830 9.311 1.00 73.31 H new