USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 641 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 Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0942 K(o=-0.094,f=-1.8!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 136:sc= -1.29 (180deg=-1.43) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -52:sc= -3.46! USER MOD Single : A 65 SER OG : rot -61:sc= 0.475 USER MOD Single : A 66 LYS NZ :NH3+ -159:sc= -0.113 (180deg=-0.584) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.0257 (180deg=-0.236) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -127:sc= -4.24 (180deg=-6.33!) USER MOD Single : A 84 ASN : amide:sc=-0.000609 X(o=-0.00061,f=-0.035) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -93:sc= 1.23 USER MOD Single : A 94 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.654 -4.377 17.251 1.00 45.24 N ATOM 165 CA ARG A 12 11.648 -4.168 18.693 1.00 22.05 C ATOM 166 C ARG A 12 11.154 -2.766 19.038 1.00 60.12 C ATOM 167 O ARG A 12 10.292 -2.596 19.899 1.00 73.20 O ATOM 168 CB ARG A 12 13.050 -4.381 19.267 1.00 22.41 C ATOM 169 CG ARG A 12 13.512 -5.829 19.225 1.00 51.14 C ATOM 170 CD ARG A 12 15.026 -5.928 19.123 1.00 10.04 C ATOM 171 NE ARG A 12 15.519 -5.471 17.827 1.00 71.54 N ATOM 172 CZ ARG A 12 16.807 -5.426 17.504 1.00 32.24 C ATOM 173 NH1 ARG A 12 17.726 -5.808 18.380 1.00 64.22 N ATOM 174 NH2 ARG A 12 17.177 -4.999 16.304 1.00 10.31 N ATOM 0 HA ARG A 12 10.967 -4.894 19.136 1.00 22.05 H new ATOM 0 HB2 ARG A 12 13.758 -3.766 18.711 1.00 22.41 H new ATOM 0 HB3 ARG A 12 13.067 -4.033 20.300 1.00 22.41 H new ATOM 0 HG2 ARG A 12 13.172 -6.347 20.122 1.00 51.14 H new ATOM 0 HG3 ARG A 12 13.055 -6.333 18.373 1.00 51.14 H new ATOM 0 HD2 ARG A 12 15.482 -5.333 19.914 1.00 10.04 H new ATOM 0 HD3 ARG A 12 15.333 -6.961 19.284 1.00 10.04 H new ATOM 0 HE ARG A 12 14.837 -5.170 17.131 1.00 71.54 H new ATOM 0 HH11 ARG A 12 17.445 -6.137 19.304 1.00 64.22 H new ATOM 0 HH12 ARG A 12 18.714 -5.773 18.130 1.00 64.22 H new ATOM 0 HH21 ARG A 12 16.472 -4.705 15.628 1.00 10.31 H new ATOM 0 HH22 ARG A 12 18.166 -4.965 16.057 1.00 10.31 H new ATOM 188 N GLU A 13 11.707 -1.766 18.359 1.00 4.33 N ATOM 189 CA GLU A 13 11.323 -0.379 18.595 1.00 3.02 C ATOM 190 C GLU A 13 9.895 -0.122 18.124 1.00 71.35 C ATOM 191 O GLU A 13 9.262 0.852 18.529 1.00 51.14 O ATOM 192 CB GLU A 13 12.287 0.569 17.879 1.00 52.44 C ATOM 193 CG GLU A 13 13.136 1.403 18.824 1.00 54.14 C ATOM 194 CD GLU A 13 13.296 2.836 18.353 1.00 24.33 C ATOM 195 OE1 GLU A 13 12.335 3.619 18.496 1.00 54.11 O ATOM 196 OE2 GLU A 13 14.385 3.173 17.843 1.00 41.15 O ATOM 0 H GLU A 13 12.422 -1.890 17.642 1.00 4.33 H new ATOM 0 HA GLU A 13 11.372 -0.193 19.668 1.00 3.02 H new ATOM 0 HB2 GLU A 13 12.944 -0.014 17.233 1.00 52.44 H new ATOM 0 HB3 GLU A 13 11.715 1.236 17.234 1.00 52.44 H new ATOM 0 HG2 GLU A 13 12.681 1.399 19.815 1.00 54.14 H new ATOM 0 HG3 GLU A 13 14.120 0.945 18.923 1.00 54.14 H new ATOM 203 N ALA A 14 9.394 -1.004 17.264 1.00 24.02 N ATOM 204 CA ALA A 14 8.041 -0.875 16.738 1.00 2.41 C ATOM 205 C ALA A 14 7.003 -1.162 17.817 1.00 32.12 C ATOM 206 O ALA A 14 5.946 -0.531 17.860 1.00 11.23 O ATOM 207 CB ALA A 14 7.845 -1.807 15.552 1.00 54.00 C ATOM 0 H ALA A 14 9.906 -1.815 16.917 1.00 24.02 H new ATOM 0 HA ALA A 14 7.904 0.153 16.404 1.00 2.41 H new ATOM 0 HB1 ALA A 14 6.830 -1.700 15.169 1.00 54.00 H new ATOM 0 HB2 ALA A 14 8.557 -1.552 14.767 1.00 54.00 H new ATOM 0 HB3 ALA A 14 8.007 -2.837 15.868 1.00 54.00 H new ATOM 213 N LEU A 15 7.309 -2.118 18.687 1.00 63.53 N ATOM 214 CA LEU A 15 6.402 -2.490 19.766 1.00 33.55 C ATOM 215 C LEU A 15 6.359 -1.407 20.839 1.00 31.14 C ATOM 216 O LEU A 15 5.305 -1.126 21.411 1.00 53.51 O ATOM 217 CB LEU A 15 6.833 -3.821 20.386 1.00 73.01 C ATOM 218 CG LEU A 15 6.205 -4.167 21.737 1.00 61.13 C ATOM 219 CD1 LEU A 15 4.708 -4.391 21.588 1.00 2.42 C ATOM 220 CD2 LEU A 15 6.873 -5.396 22.336 1.00 71.32 C ATOM 0 H LEU A 15 8.179 -2.650 18.666 1.00 63.53 H new ATOM 0 HA LEU A 15 5.402 -2.599 19.345 1.00 33.55 H new ATOM 0 HB2 LEU A 15 6.597 -4.620 19.683 1.00 73.01 H new ATOM 0 HB3 LEU A 15 7.917 -3.810 20.504 1.00 73.01 H new ATOM 0 HG LEU A 15 6.360 -3.327 22.414 1.00 61.13 H new ATOM 0 HD11 LEU A 15 4.278 -4.636 22.559 1.00 2.42 H new ATOM 0 HD12 LEU A 15 4.241 -3.484 21.203 1.00 2.42 H new ATOM 0 HD13 LEU A 15 4.530 -5.213 20.895 1.00 2.42 H new ATOM 0 HD21 LEU A 15 6.414 -5.628 23.297 1.00 71.32 H new ATOM 0 HD22 LEU A 15 6.749 -6.243 21.661 1.00 71.32 H new ATOM 0 HD23 LEU A 15 7.935 -5.199 22.480 1.00 71.32 H new ATOM 232 N LEU A 16 7.510 -0.801 21.107 1.00 63.01 N ATOM 233 CA LEU A 16 7.605 0.254 22.110 1.00 53.11 C ATOM 234 C LEU A 16 6.878 1.512 21.647 1.00 55.33 C ATOM 235 O LEU A 16 6.171 2.155 22.424 1.00 24.50 O ATOM 236 CB LEU A 16 9.071 0.577 22.402 1.00 10.14 C ATOM 237 CG LEU A 16 10.026 -0.616 22.440 1.00 25.15 C ATOM 238 CD1 LEU A 16 11.453 -0.150 22.685 1.00 43.23 C ATOM 239 CD2 LEU A 16 9.597 -1.609 23.511 1.00 64.02 C ATOM 0 H LEU A 16 8.391 -1.022 20.643 1.00 63.01 H new ATOM 0 HA LEU A 16 7.129 -0.103 23.023 1.00 53.11 H new ATOM 0 HB2 LEU A 16 9.426 1.277 21.645 1.00 10.14 H new ATOM 0 HB3 LEU A 16 9.125 1.091 23.362 1.00 10.14 H new ATOM 0 HG LEU A 16 9.990 -1.117 21.472 1.00 25.15 H new ATOM 0 HD11 LEU A 16 12.119 -1.013 22.709 1.00 43.23 H new ATOM 0 HD12 LEU A 16 11.759 0.522 21.883 1.00 43.23 H new ATOM 0 HD13 LEU A 16 11.506 0.375 23.639 1.00 43.23 H new ATOM 0 HD21 LEU A 16 10.288 -2.452 23.524 1.00 64.02 H new ATOM 0 HD22 LEU A 16 9.604 -1.119 24.485 1.00 64.02 H new ATOM 0 HD23 LEU A 16 8.591 -1.968 23.292 1.00 64.02 H new ATOM 251 N TRP A 17 7.054 1.857 20.376 1.00 34.13 N ATOM 252 CA TRP A 17 6.412 3.038 19.809 1.00 60.41 C ATOM 253 C TRP A 17 4.928 2.787 19.567 1.00 14.21 C ATOM 254 O TRP A 17 4.110 3.700 19.673 1.00 14.42 O ATOM 255 CB TRP A 17 7.095 3.434 18.499 1.00 10.51 C ATOM 256 CG TRP A 17 7.247 4.916 18.334 1.00 42.31 C ATOM 257 CD1 TRP A 17 6.297 5.869 18.567 1.00 32.14 C ATOM 258 CD2 TRP A 17 8.419 5.614 17.897 1.00 13.14 C ATOM 259 NE1 TRP A 17 6.807 7.117 18.302 1.00 21.14 N ATOM 260 CE2 TRP A 17 8.107 6.988 17.891 1.00 61.23 C ATOM 261 CE3 TRP A 17 9.701 5.213 17.514 1.00 60.43 C ATOM 262 CZ2 TRP A 17 9.031 7.959 17.514 1.00 24.41 C ATOM 263 CZ3 TRP A 17 10.617 6.177 17.140 1.00 41.21 C ATOM 264 CH2 TRP A 17 10.279 7.537 17.143 1.00 43.11 C ATOM 0 H TRP A 17 7.635 1.336 19.719 1.00 34.13 H new ATOM 0 HA TRP A 17 6.511 3.854 20.524 1.00 60.41 H new ATOM 0 HB2 TRP A 17 8.079 2.968 18.455 1.00 10.51 H new ATOM 0 HB3 TRP A 17 6.518 3.040 17.663 1.00 10.51 H new ATOM 0 HD1 TRP A 17 5.292 5.671 18.909 1.00 32.14 H new ATOM 0 HE1 TRP A 17 6.300 7.997 18.396 1.00 21.14 H new ATOM 0 HE3 TRP A 17 9.971 4.167 17.510 1.00 60.43 H new ATOM 0 HZ2 TRP A 17 8.772 9.008 17.514 1.00 24.41 H new ATOM 0 HZ3 TRP A 17 11.610 5.878 16.840 1.00 41.21 H new ATOM 0 HH2 TRP A 17 11.018 8.267 16.847 1.00 43.11 H new ATOM 275 N ALA A 18 4.587 1.545 19.242 1.00 73.52 N ATOM 276 CA ALA A 18 3.200 1.175 18.987 1.00 20.44 C ATOM 277 C ALA A 18 2.403 1.105 20.286 1.00 64.32 C ATOM 278 O ALA A 18 1.418 1.823 20.461 1.00 4.33 O ATOM 279 CB ALA A 18 3.135 -0.157 18.254 1.00 41.22 C ATOM 0 H ALA A 18 5.252 0.777 19.149 1.00 73.52 H new ATOM 0 HA ALA A 18 2.754 1.946 18.358 1.00 20.44 H new ATOM 0 HB1 ALA A 18 2.093 -0.421 18.070 1.00 41.22 H new ATOM 0 HB2 ALA A 18 3.662 -0.075 17.303 1.00 41.22 H new ATOM 0 HB3 ALA A 18 3.603 -0.931 18.863 1.00 41.22 H new ATOM 285 N LEU A 19 2.835 0.235 21.193 1.00 54.32 N ATOM 286 CA LEU A 19 2.161 0.071 22.476 1.00 33.12 C ATOM 287 C LEU A 19 2.058 1.403 23.212 1.00 43.11 C ATOM 288 O LEU A 19 1.183 1.592 24.056 1.00 33.44 O ATOM 289 CB LEU A 19 2.908 -0.946 23.341 1.00 43.14 C ATOM 290 CG LEU A 19 4.230 -0.470 23.945 1.00 70.22 C ATOM 291 CD1 LEU A 19 3.980 0.326 25.216 1.00 53.52 C ATOM 292 CD2 LEU A 19 5.144 -1.654 24.226 1.00 2.33 C ATOM 0 H LEU A 19 3.648 -0.367 21.064 1.00 54.32 H new ATOM 0 HA LEU A 19 1.153 -0.296 22.284 1.00 33.12 H new ATOM 0 HB2 LEU A 19 2.250 -1.255 24.154 1.00 43.14 H new ATOM 0 HB3 LEU A 19 3.105 -1.832 22.737 1.00 43.14 H new ATOM 0 HG LEU A 19 4.723 0.182 23.224 1.00 70.22 H new ATOM 0 HD11 LEU A 19 4.932 0.656 25.632 1.00 53.52 H new ATOM 0 HD12 LEU A 19 3.363 1.195 24.986 1.00 53.52 H new ATOM 0 HD13 LEU A 19 3.465 -0.302 25.943 1.00 53.52 H new ATOM 0 HD21 LEU A 19 6.080 -1.297 24.655 1.00 2.33 H new ATOM 0 HD22 LEU A 19 4.657 -2.331 24.928 1.00 2.33 H new ATOM 0 HD23 LEU A 19 5.350 -2.183 23.296 1.00 2.33 H new ATOM 304 N SER A 20 2.958 2.325 22.884 1.00 52.21 N ATOM 305 CA SER A 20 2.970 3.640 23.515 1.00 73.13 C ATOM 306 C SER A 20 2.101 4.624 22.737 1.00 71.43 C ATOM 307 O SER A 20 1.704 5.666 23.258 1.00 24.24 O ATOM 308 CB SER A 20 4.402 4.171 23.609 1.00 35.41 C ATOM 309 OG SER A 20 4.417 5.528 24.017 1.00 75.34 O ATOM 0 H SER A 20 3.688 2.186 22.185 1.00 52.21 H new ATOM 0 HA SER A 20 2.561 3.537 24.520 1.00 73.13 H new ATOM 0 HB2 SER A 20 4.971 3.569 24.317 1.00 35.41 H new ATOM 0 HB3 SER A 20 4.894 4.074 22.641 1.00 35.41 H new ATOM 0 HG SER A 20 5.343 5.843 24.071 1.00 75.34 H new ATOM 315 N ASP A 21 1.809 4.284 21.486 1.00 43.31 N ATOM 316 CA ASP A 21 0.987 5.136 20.635 1.00 73.03 C ATOM 317 C ASP A 21 -0.460 5.151 21.117 1.00 13.45 C ATOM 318 O ASP A 21 -1.254 5.999 20.706 1.00 33.43 O ATOM 319 CB ASP A 21 1.048 4.655 19.184 1.00 3.20 C ATOM 320 CG ASP A 21 1.567 5.723 18.242 1.00 45.33 C ATOM 321 OD1 ASP A 21 2.803 5.842 18.102 1.00 70.13 O ATOM 322 OD2 ASP A 21 0.738 6.440 17.643 1.00 23.04 O ATOM 0 H ASP A 21 2.129 3.425 21.039 1.00 43.31 H new ATOM 0 HA ASP A 21 1.381 6.151 20.691 1.00 73.03 H new ATOM 0 HB2 ASP A 21 1.690 3.777 19.122 1.00 3.20 H new ATOM 0 HB3 ASP A 21 0.053 4.345 18.865 1.00 3.20 H new ATOM 327 N LEU A 22 -0.797 4.209 21.991 1.00 71.10 N ATOM 328 CA LEU A 22 -2.149 4.113 22.530 1.00 74.04 C ATOM 329 C LEU A 22 -2.190 4.571 23.984 1.00 70.10 C ATOM 330 O LEU A 22 -1.166 4.593 24.666 1.00 32.41 O ATOM 331 CB LEU A 22 -2.662 2.676 22.421 1.00 30.21 C ATOM 332 CG LEU A 22 -1.604 1.576 22.524 1.00 14.44 C ATOM 333 CD1 LEU A 22 -2.123 0.413 23.356 1.00 50.24 C ATOM 334 CD2 LEU A 22 -1.191 1.102 21.139 1.00 74.22 C ATOM 0 H LEU A 22 -0.152 3.501 22.342 1.00 71.10 H new ATOM 0 HA LEU A 22 -2.794 4.768 21.944 1.00 74.04 H new ATOM 0 HB2 LEU A 22 -3.402 2.515 23.205 1.00 30.21 H new ATOM 0 HB3 LEU A 22 -3.179 2.567 21.468 1.00 30.21 H new ATOM 0 HG LEU A 22 -0.726 1.988 23.021 1.00 14.44 H new ATOM 0 HD11 LEU A 22 -1.357 -0.360 23.418 1.00 50.24 H new ATOM 0 HD12 LEU A 22 -2.367 0.764 24.359 1.00 50.24 H new ATOM 0 HD13 LEU A 22 -3.017 0.001 22.888 1.00 50.24 H new ATOM 0 HD21 LEU A 22 -0.438 0.320 21.232 1.00 74.22 H new ATOM 0 HD22 LEU A 22 -2.061 0.707 20.615 1.00 74.22 H new ATOM 0 HD23 LEU A 22 -0.777 1.939 20.576 1.00 74.22 H new ATOM 346 N GLU A 23 -3.380 4.934 24.452 1.00 53.02 N ATOM 347 CA GLU A 23 -3.554 5.390 25.826 1.00 65.10 C ATOM 348 C GLU A 23 -3.445 4.224 26.804 1.00 25.30 C ATOM 349 O GLU A 23 -3.620 3.066 26.426 1.00 34.25 O ATOM 350 CB GLU A 23 -4.908 6.083 25.990 1.00 30.51 C ATOM 351 CG GLU A 23 -4.973 7.454 25.340 1.00 50.24 C ATOM 352 CD GLU A 23 -6.238 8.210 25.697 1.00 74.34 C ATOM 353 OE1 GLU A 23 -6.538 8.330 26.903 1.00 71.13 O ATOM 354 OE2 GLU A 23 -6.929 8.681 24.769 1.00 42.13 O ATOM 0 H GLU A 23 -4.238 4.921 23.900 1.00 53.02 H new ATOM 0 HA GLU A 23 -2.760 6.103 26.048 1.00 65.10 H new ATOM 0 HB2 GLU A 23 -5.685 5.450 25.561 1.00 30.51 H new ATOM 0 HB3 GLU A 23 -5.129 6.183 27.053 1.00 30.51 H new ATOM 0 HG2 GLU A 23 -4.106 8.039 25.647 1.00 50.24 H new ATOM 0 HG3 GLU A 23 -4.915 7.342 24.257 1.00 50.24 H new ATOM 361 N GLU A 24 -3.153 4.539 28.062 1.00 5.20 N ATOM 362 CA GLU A 24 -3.019 3.517 29.094 1.00 44.43 C ATOM 363 C GLU A 24 -4.345 2.797 29.322 1.00 45.34 C ATOM 364 O GLU A 24 -4.371 1.610 29.641 1.00 22.42 O ATOM 365 CB GLU A 24 -2.534 4.144 30.403 1.00 31.41 C ATOM 366 CG GLU A 24 -3.447 5.238 30.929 1.00 55.11 C ATOM 367 CD GLU A 24 -4.468 4.719 31.923 1.00 72.32 C ATOM 368 OE1 GLU A 24 -4.570 3.484 32.079 1.00 53.03 O ATOM 369 OE2 GLU A 24 -5.165 5.548 32.545 1.00 63.11 O ATOM 0 H GLU A 24 -3.005 5.493 28.391 1.00 5.20 H new ATOM 0 HA GLU A 24 -2.284 2.788 28.754 1.00 44.43 H new ATOM 0 HB2 GLU A 24 -2.444 3.363 31.158 1.00 31.41 H new ATOM 0 HB3 GLU A 24 -1.537 4.557 30.251 1.00 31.41 H new ATOM 0 HG2 GLU A 24 -2.844 6.012 31.404 1.00 55.11 H new ATOM 0 HG3 GLU A 24 -3.966 5.707 30.093 1.00 55.11 H new ATOM 376 N ASN A 25 -5.443 3.526 29.155 1.00 13.31 N ATOM 377 CA ASN A 25 -6.773 2.958 29.344 1.00 53.23 C ATOM 378 C ASN A 25 -7.139 2.035 28.186 1.00 75.23 C ATOM 379 O ASN A 25 -8.240 1.486 28.141 1.00 74.54 O ATOM 380 CB ASN A 25 -7.813 4.073 29.470 1.00 15.03 C ATOM 381 CG ASN A 25 -7.319 5.233 30.313 1.00 65.40 C ATOM 382 OD1 ASN A 25 -6.528 6.056 29.852 1.00 0.32 O ATOM 383 ND2 ASN A 25 -7.783 5.302 31.555 1.00 23.43 N ATOM 0 H ASN A 25 -5.439 4.511 28.889 1.00 13.31 H new ATOM 0 HA ASN A 25 -6.764 2.373 30.264 1.00 53.23 H new ATOM 0 HB2 ASN A 25 -8.075 4.436 28.476 1.00 15.03 H new ATOM 0 HB3 ASN A 25 -8.724 3.668 29.912 1.00 15.03 H new ATOM 0 HD21 ASN A 25 -7.485 6.060 32.169 1.00 23.43 H new ATOM 0 HD22 ASN A 25 -8.438 4.597 31.895 1.00 23.43 H new ATOM 390 N ASP A 26 -6.209 1.868 27.252 1.00 13.41 N ATOM 391 CA ASP A 26 -6.433 1.010 26.094 1.00 2.24 C ATOM 392 C ASP A 26 -5.530 -0.219 26.147 1.00 52.55 C ATOM 393 O ASP A 26 -6.005 -1.353 26.095 1.00 72.34 O ATOM 394 CB ASP A 26 -6.183 1.787 24.801 1.00 51.30 C ATOM 395 CG ASP A 26 -7.140 2.951 24.630 1.00 33.55 C ATOM 396 OD1 ASP A 26 -8.041 3.106 25.481 1.00 52.52 O ATOM 397 OD2 ASP A 26 -6.989 3.705 23.646 1.00 30.52 O ATOM 0 H ASP A 26 -5.293 2.316 27.274 1.00 13.41 H new ATOM 0 HA ASP A 26 -7.471 0.678 26.113 1.00 2.24 H new ATOM 0 HB2 ASP A 26 -5.159 2.159 24.797 1.00 51.30 H new ATOM 0 HB3 ASP A 26 -6.281 1.112 23.951 1.00 51.30 H new ATOM 402 N PHE A 27 -4.226 0.015 26.248 1.00 10.52 N ATOM 403 CA PHE A 27 -3.256 -1.072 26.305 1.00 33.21 C ATOM 404 C PHE A 27 -3.496 -1.951 27.530 1.00 45.43 C ATOM 405 O PHE A 27 -3.359 -3.173 27.468 1.00 4.42 O ATOM 406 CB PHE A 27 -1.832 -0.513 26.335 1.00 73.12 C ATOM 407 CG PHE A 27 -1.028 -0.984 27.512 1.00 22.15 C ATOM 408 CD1 PHE A 27 -1.098 -0.320 28.726 1.00 3.53 C ATOM 409 CD2 PHE A 27 -0.202 -2.092 27.406 1.00 53.31 C ATOM 410 CE1 PHE A 27 -0.358 -0.751 29.811 1.00 2.52 C ATOM 411 CE2 PHE A 27 0.540 -2.528 28.488 1.00 53.44 C ATOM 412 CZ PHE A 27 0.461 -1.857 29.692 1.00 11.41 C ATOM 0 H PHE A 27 -3.816 0.948 26.292 1.00 10.52 H new ATOM 0 HA PHE A 27 -3.380 -1.683 25.411 1.00 33.21 H new ATOM 0 HB2 PHE A 27 -1.319 -0.799 25.417 1.00 73.12 H new ATOM 0 HB3 PHE A 27 -1.878 0.576 26.349 1.00 73.12 H new ATOM 0 HD1 PHE A 27 -1.738 0.544 28.826 1.00 3.53 H new ATOM 0 HD2 PHE A 27 -0.137 -2.621 26.467 1.00 53.31 H new ATOM 0 HE1 PHE A 27 -0.420 -0.223 30.751 1.00 2.52 H new ATOM 0 HE2 PHE A 27 1.180 -3.392 28.392 1.00 53.44 H new ATOM 0 HZ PHE A 27 1.038 -2.196 30.539 1.00 11.41 H new ATOM 422 N LYS A 28 -3.853 -1.319 28.643 1.00 53.05 N ATOM 423 CA LYS A 28 -4.113 -2.041 29.883 1.00 42.53 C ATOM 424 C LYS A 28 -5.308 -2.975 29.728 1.00 34.15 C ATOM 425 O LYS A 28 -5.264 -4.131 30.150 1.00 74.24 O ATOM 426 CB LYS A 28 -4.366 -1.056 31.026 1.00 0.34 C ATOM 427 CG LYS A 28 -4.836 -1.721 32.309 1.00 42.43 C ATOM 428 CD LYS A 28 -3.903 -2.845 32.728 1.00 13.52 C ATOM 429 CE LYS A 28 -2.512 -2.322 33.054 1.00 73.41 C ATOM 430 NZ LYS A 28 -1.547 -3.430 33.299 1.00 54.05 N ATOM 0 H LYS A 28 -3.969 -0.308 28.712 1.00 53.05 H new ATOM 0 HA LYS A 28 -3.234 -2.641 30.117 1.00 42.53 H new ATOM 0 HB2 LYS A 28 -3.448 -0.503 31.228 1.00 0.34 H new ATOM 0 HB3 LYS A 28 -5.113 -0.328 30.709 1.00 0.34 H new ATOM 0 HG2 LYS A 28 -4.893 -0.979 33.105 1.00 42.43 H new ATOM 0 HG3 LYS A 28 -5.842 -2.116 32.168 1.00 42.43 H new ATOM 0 HD2 LYS A 28 -4.314 -3.355 33.599 1.00 13.52 H new ATOM 0 HD3 LYS A 28 -3.837 -3.582 31.928 1.00 13.52 H new ATOM 0 HE2 LYS A 28 -2.154 -1.704 32.231 1.00 73.41 H new ATOM 0 HE3 LYS A 28 -2.562 -1.682 33.935 1.00 73.41 H new ATOM 0 HZ1 LYS A 28 -0.611 -3.033 33.518 1.00 54.05 H new ATOM 0 HZ2 LYS A 28 -1.875 -4.005 34.101 1.00 54.05 H new ATOM 0 HZ3 LYS A 28 -1.480 -4.026 32.450 1.00 54.05 H new ATOM 444 N LYS A 29 -6.376 -2.468 29.121 1.00 4.20 N ATOM 445 CA LYS A 29 -7.583 -3.257 28.908 1.00 21.20 C ATOM 446 C LYS A 29 -7.258 -4.566 28.195 1.00 54.12 C ATOM 447 O LYS A 29 -7.823 -5.614 28.512 1.00 43.03 O ATOM 448 CB LYS A 29 -8.602 -2.459 28.092 1.00 0.52 C ATOM 449 CG LYS A 29 -9.799 -1.992 28.903 1.00 44.11 C ATOM 450 CD LYS A 29 -9.419 -0.882 29.868 1.00 14.44 C ATOM 451 CE LYS A 29 -10.173 -1.005 31.184 1.00 61.41 C ATOM 452 NZ LYS A 29 -11.606 -0.626 31.040 1.00 3.12 N ATOM 0 H LYS A 29 -6.430 -1.513 28.768 1.00 4.20 H new ATOM 0 HA LYS A 29 -8.011 -3.491 29.883 1.00 21.20 H new ATOM 0 HB2 LYS A 29 -8.107 -1.591 27.657 1.00 0.52 H new ATOM 0 HB3 LYS A 29 -8.953 -3.074 27.263 1.00 0.52 H new ATOM 0 HG2 LYS A 29 -10.580 -1.639 28.230 1.00 44.11 H new ATOM 0 HG3 LYS A 29 -10.213 -2.833 29.459 1.00 44.11 H new ATOM 0 HD2 LYS A 29 -8.346 -0.915 30.058 1.00 14.44 H new ATOM 0 HD3 LYS A 29 -9.633 0.086 29.414 1.00 14.44 H new ATOM 0 HE2 LYS A 29 -10.103 -2.030 31.548 1.00 61.41 H new ATOM 0 HE3 LYS A 29 -9.702 -0.368 31.933 1.00 61.41 H new ATOM 0 HZ1 LYS A 29 -12.085 -0.723 31.958 1.00 3.12 H new ATOM 0 HZ2 LYS A 29 -11.673 0.360 30.717 1.00 3.12 H new ATOM 0 HZ3 LYS A 29 -12.062 -1.250 30.344 1.00 3.12 H new ATOM 466 N LEU A 30 -6.346 -4.499 27.232 1.00 44.00 N ATOM 467 CA LEU A 30 -5.945 -5.680 26.475 1.00 44.54 C ATOM 468 C LEU A 30 -5.144 -6.641 27.348 1.00 54.23 C ATOM 469 O LEU A 30 -5.477 -7.821 27.457 1.00 35.04 O ATOM 470 CB LEU A 30 -5.116 -5.270 25.255 1.00 34.33 C ATOM 471 CG LEU A 30 -5.393 -3.876 24.693 1.00 14.41 C ATOM 472 CD1 LEU A 30 -4.577 -3.636 23.433 1.00 64.22 C ATOM 473 CD2 LEU A 30 -6.878 -3.700 24.410 1.00 12.00 C ATOM 0 H LEU A 30 -5.870 -3.640 26.957 1.00 44.00 H new ATOM 0 HA LEU A 30 -6.848 -6.190 26.139 1.00 44.54 H new ATOM 0 HB2 LEU A 30 -4.061 -5.329 25.521 1.00 34.33 H new ATOM 0 HB3 LEU A 30 -5.286 -5.999 24.463 1.00 34.33 H new ATOM 0 HG LEU A 30 -5.096 -3.139 25.439 1.00 14.41 H new ATOM 0 HD11 LEU A 30 -4.788 -2.638 23.048 1.00 64.22 H new ATOM 0 HD12 LEU A 30 -3.515 -3.718 23.666 1.00 64.22 H new ATOM 0 HD13 LEU A 30 -4.842 -4.379 22.681 1.00 64.22 H new ATOM 0 HD21 LEU A 30 -7.056 -2.702 24.010 1.00 12.00 H new ATOM 0 HD22 LEU A 30 -7.201 -4.445 23.683 1.00 12.00 H new ATOM 0 HD23 LEU A 30 -7.442 -3.827 25.334 1.00 12.00 H new ATOM 485 N LYS A 31 -4.088 -6.128 27.969 1.00 12.54 N ATOM 486 CA LYS A 31 -3.242 -6.938 28.836 1.00 25.25 C ATOM 487 C LYS A 31 -4.058 -7.569 29.960 1.00 55.24 C ATOM 488 O LYS A 31 -3.712 -8.634 30.470 1.00 23.13 O ATOM 489 CB LYS A 31 -2.116 -6.086 29.427 1.00 51.52 C ATOM 490 CG LYS A 31 -1.244 -5.418 28.377 1.00 31.34 C ATOM 491 CD LYS A 31 -0.580 -6.442 27.472 1.00 43.43 C ATOM 492 CE LYS A 31 -0.200 -5.835 26.130 1.00 50.24 C ATOM 493 NZ LYS A 31 -1.393 -5.341 25.387 1.00 5.20 N ATOM 0 H LYS A 31 -3.797 -5.154 27.888 1.00 12.54 H new ATOM 0 HA LYS A 31 -2.808 -7.736 28.233 1.00 25.25 H new ATOM 0 HB2 LYS A 31 -2.550 -5.319 30.068 1.00 51.52 H new ATOM 0 HB3 LYS A 31 -1.490 -6.715 30.061 1.00 51.52 H new ATOM 0 HG2 LYS A 31 -1.850 -4.739 27.777 1.00 31.34 H new ATOM 0 HG3 LYS A 31 -0.480 -4.814 28.867 1.00 31.34 H new ATOM 0 HD2 LYS A 31 0.311 -6.837 27.960 1.00 43.43 H new ATOM 0 HD3 LYS A 31 -1.256 -7.283 27.314 1.00 43.43 H new ATOM 0 HE2 LYS A 31 0.496 -5.011 26.288 1.00 50.24 H new ATOM 0 HE3 LYS A 31 0.320 -6.581 25.528 1.00 50.24 H new ATOM 0 HZ1 LYS A 31 -1.186 -4.407 24.980 1.00 5.20 H new ATOM 0 HZ2 LYS A 31 -1.627 -6.007 24.623 1.00 5.20 H new ATOM 0 HZ3 LYS A 31 -2.200 -5.264 26.038 1.00 5.20 H new ATOM 507 N PHE A 32 -5.146 -6.905 30.339 1.00 64.32 N ATOM 508 CA PHE A 32 -6.012 -7.402 31.401 1.00 14.44 C ATOM 509 C PHE A 32 -6.634 -8.741 31.015 1.00 1.44 C ATOM 510 O PHE A 32 -6.612 -9.695 31.793 1.00 1.22 O ATOM 511 CB PHE A 32 -7.114 -6.384 31.707 1.00 61.42 C ATOM 512 CG PHE A 32 -8.235 -6.945 32.535 1.00 63.03 C ATOM 513 CD1 PHE A 32 -8.009 -7.367 33.835 1.00 72.31 C ATOM 514 CD2 PHE A 32 -9.514 -7.050 32.012 1.00 22.34 C ATOM 515 CE1 PHE A 32 -9.039 -7.883 34.600 1.00 65.44 C ATOM 516 CE2 PHE A 32 -10.547 -7.565 32.772 1.00 30.04 C ATOM 517 CZ PHE A 32 -10.309 -7.983 34.067 1.00 21.31 C ATOM 0 H PHE A 32 -5.448 -6.022 29.926 1.00 64.32 H new ATOM 0 HA PHE A 32 -5.403 -7.549 32.293 1.00 14.44 H new ATOM 0 HB2 PHE A 32 -6.677 -5.534 32.230 1.00 61.42 H new ATOM 0 HB3 PHE A 32 -7.520 -6.007 30.768 1.00 61.42 H new ATOM 0 HD1 PHE A 32 -7.017 -7.292 34.256 1.00 72.31 H new ATOM 0 HD2 PHE A 32 -9.706 -6.726 31.000 1.00 22.34 H new ATOM 0 HE1 PHE A 32 -8.850 -8.207 35.613 1.00 65.44 H new ATOM 0 HE2 PHE A 32 -11.540 -7.641 32.354 1.00 30.04 H new ATOM 0 HZ PHE A 32 -11.115 -8.387 34.662 1.00 21.31 H new ATOM 527 N TYR A 33 -7.188 -8.803 29.810 1.00 61.12 N ATOM 528 CA TYR A 33 -7.819 -10.023 29.321 1.00 64.33 C ATOM 529 C TYR A 33 -6.846 -10.837 28.472 1.00 52.53 C ATOM 530 O TYR A 33 -6.612 -12.017 28.733 1.00 30.24 O ATOM 531 CB TYR A 33 -9.067 -9.685 28.504 1.00 63.23 C ATOM 532 CG TYR A 33 -10.271 -10.527 28.861 1.00 64.53 C ATOM 533 CD1 TYR A 33 -10.153 -11.900 29.042 1.00 74.25 C ATOM 534 CD2 TYR A 33 -11.525 -9.951 29.016 1.00 32.21 C ATOM 535 CE1 TYR A 33 -11.251 -12.674 29.367 1.00 25.10 C ATOM 536 CE2 TYR A 33 -12.627 -10.717 29.343 1.00 54.11 C ATOM 537 CZ TYR A 33 -12.485 -12.078 29.517 1.00 12.21 C ATOM 538 OH TYR A 33 -13.581 -12.844 29.841 1.00 31.23 O ATOM 0 H TYR A 33 -7.213 -8.023 29.153 1.00 61.12 H new ATOM 0 HA TYR A 33 -8.110 -10.622 30.184 1.00 64.33 H new ATOM 0 HB2 TYR A 33 -9.313 -8.633 28.651 1.00 63.23 H new ATOM 0 HB3 TYR A 33 -8.844 -9.815 27.445 1.00 63.23 H new ATOM 0 HD1 TYR A 33 -9.187 -12.370 28.927 1.00 74.25 H new ATOM 0 HD2 TYR A 33 -11.641 -8.886 28.879 1.00 32.21 H new ATOM 0 HE1 TYR A 33 -11.143 -13.740 29.503 1.00 25.10 H new ATOM 0 HE2 TYR A 33 -13.595 -10.253 29.462 1.00 54.11 H new ATOM 0 HH TYR A 33 -14.372 -12.270 29.910 1.00 31.23 H new ATOM 548 N LEU A 34 -6.282 -10.196 27.454 1.00 71.34 N ATOM 549 CA LEU A 34 -5.333 -10.858 26.565 1.00 75.24 C ATOM 550 C LEU A 34 -4.212 -11.519 27.360 1.00 60.02 C ATOM 551 O LEU A 34 -4.005 -12.729 27.272 1.00 72.43 O ATOM 552 CB LEU A 34 -4.747 -9.852 25.573 1.00 63.43 C ATOM 553 CG LEU A 34 -5.621 -9.513 24.365 1.00 1.51 C ATOM 554 CD1 LEU A 34 -5.208 -10.340 23.158 1.00 50.34 C ATOM 555 CD2 LEU A 34 -7.090 -9.737 24.690 1.00 14.04 C ATOM 0 H LEU A 34 -6.465 -9.219 27.224 1.00 71.34 H new ATOM 0 HA LEU A 34 -5.867 -11.632 26.014 1.00 75.24 H new ATOM 0 HB2 LEU A 34 -4.529 -8.928 26.109 1.00 63.43 H new ATOM 0 HB3 LEU A 34 -3.796 -10.242 25.210 1.00 63.43 H new ATOM 0 HG LEU A 34 -5.480 -8.460 24.123 1.00 1.51 H new ATOM 0 HD11 LEU A 34 -5.841 -10.085 22.308 1.00 50.34 H new ATOM 0 HD12 LEU A 34 -4.167 -10.129 22.911 1.00 50.34 H new ATOM 0 HD13 LEU A 34 -5.319 -11.400 23.388 1.00 50.34 H new ATOM 0 HD21 LEU A 34 -7.697 -9.491 23.819 1.00 14.04 H new ATOM 0 HD22 LEU A 34 -7.248 -10.781 24.959 1.00 14.04 H new ATOM 0 HD23 LEU A 34 -7.379 -9.100 25.526 1.00 14.04 H new ATOM 567 N ARG A 35 -3.492 -10.716 28.137 1.00 34.41 N ATOM 568 CA ARG A 35 -2.393 -11.224 28.949 1.00 43.51 C ATOM 569 C ARG A 35 -2.894 -12.242 29.969 1.00 52.15 C ATOM 570 O ARG A 35 -2.238 -13.250 30.228 1.00 25.50 O ATOM 571 CB ARG A 35 -1.687 -10.072 29.667 1.00 15.42 C ATOM 572 CG ARG A 35 -0.172 -10.184 29.657 1.00 62.13 C ATOM 573 CD ARG A 35 0.469 -9.171 30.592 1.00 14.42 C ATOM 574 NE ARG A 35 1.200 -8.138 29.863 1.00 64.52 N ATOM 575 CZ ARG A 35 1.579 -6.985 30.403 1.00 72.33 C ATOM 576 NH1 ARG A 35 1.296 -6.719 31.670 1.00 3.24 N ATOM 577 NH2 ARG A 35 2.242 -6.096 29.674 1.00 34.13 N ATOM 0 H ARG A 35 -3.650 -9.712 28.221 1.00 34.41 H new ATOM 0 HA ARG A 35 -1.684 -11.720 28.286 1.00 43.51 H new ATOM 0 HB2 ARG A 35 -1.976 -9.131 29.198 1.00 15.42 H new ATOM 0 HB3 ARG A 35 -2.033 -10.033 30.700 1.00 15.42 H new ATOM 0 HG2 ARG A 35 0.121 -11.191 29.954 1.00 62.13 H new ATOM 0 HG3 ARG A 35 0.198 -10.030 28.643 1.00 62.13 H new ATOM 0 HD2 ARG A 35 -0.302 -8.705 31.205 1.00 14.42 H new ATOM 0 HD3 ARG A 35 1.149 -9.685 31.272 1.00 14.42 H new ATOM 0 HE ARG A 35 1.432 -8.311 28.885 1.00 64.52 H new ATOM 0 HH11 ARG A 35 0.786 -7.400 32.233 1.00 3.24 H new ATOM 0 HH12 ARG A 35 1.588 -5.833 32.083 1.00 3.24 H new ATOM 0 HH21 ARG A 35 2.461 -6.298 28.698 1.00 34.13 H new ATOM 0 HH22 ARG A 35 2.533 -5.211 30.089 1.00 34.13 H new ATOM 591 N ASP A 36 -4.061 -11.971 30.543 1.00 3.53 N ATOM 592 CA ASP A 36 -4.651 -12.863 31.534 1.00 2.02 C ATOM 593 C ASP A 36 -4.630 -14.308 31.045 1.00 52.30 C ATOM 594 O ASP A 36 -4.195 -15.209 31.761 1.00 73.43 O ATOM 595 CB ASP A 36 -6.087 -12.437 31.845 1.00 64.04 C ATOM 596 CG ASP A 36 -6.990 -13.618 32.142 1.00 65.15 C ATOM 597 OD1 ASP A 36 -6.836 -14.225 33.222 1.00 40.11 O ATOM 598 OD2 ASP A 36 -7.849 -13.936 31.293 1.00 32.21 O ATOM 0 H ASP A 36 -4.617 -11.141 30.339 1.00 3.53 H new ATOM 0 HA ASP A 36 -4.056 -12.798 32.445 1.00 2.02 H new ATOM 0 HB2 ASP A 36 -6.085 -11.761 32.700 1.00 64.04 H new ATOM 0 HB3 ASP A 36 -6.489 -11.880 30.999 1.00 64.04 H new ATOM 603 N MET A 37 -5.104 -14.520 29.822 1.00 54.33 N ATOM 604 CA MET A 37 -5.140 -15.855 29.237 1.00 30.21 C ATOM 605 C MET A 37 -3.846 -16.155 28.487 1.00 53.13 C ATOM 606 O MET A 37 -3.091 -17.051 28.864 1.00 64.33 O ATOM 607 CB MET A 37 -6.335 -15.989 28.291 1.00 22.30 C ATOM 608 CG MET A 37 -7.290 -17.108 28.673 1.00 32.15 C ATOM 609 SD MET A 37 -8.790 -17.113 27.673 1.00 52.20 S ATOM 610 CE MET A 37 -9.261 -18.838 27.776 1.00 2.05 C ATOM 0 H MET A 37 -5.469 -13.784 29.217 1.00 54.33 H new ATOM 0 HA MET A 37 -5.245 -16.577 30.047 1.00 30.21 H new ATOM 0 HB2 MET A 37 -6.882 -15.046 28.274 1.00 22.30 H new ATOM 0 HB3 MET A 37 -5.969 -16.164 27.279 1.00 22.30 H new ATOM 0 HG2 MET A 37 -6.782 -18.066 28.564 1.00 32.15 H new ATOM 0 HG3 MET A 37 -7.559 -17.007 29.724 1.00 32.15 H new ATOM 0 HE1 MET A 37 -10.175 -19.000 27.205 1.00 2.05 H new ATOM 0 HE2 MET A 37 -8.463 -19.458 27.367 1.00 2.05 H new ATOM 0 HE3 MET A 37 -9.432 -19.107 28.818 1.00 2.05 H new ATOM 620 N THR A 38 -3.596 -15.399 27.422 1.00 73.44 N ATOM 621 CA THR A 38 -2.395 -15.585 26.618 1.00 60.33 C ATOM 622 C THR A 38 -1.166 -15.771 27.500 1.00 31.42 C ATOM 623 O THR A 38 -0.365 -16.682 27.283 1.00 12.22 O ATOM 624 CB THR A 38 -2.160 -14.390 25.675 1.00 65.22 C ATOM 625 OG1 THR A 38 -1.800 -13.231 26.434 1.00 11.40 O ATOM 626 CG2 THR A 38 -3.404 -14.097 24.851 1.00 74.50 C ATOM 0 H THR A 38 -4.210 -14.652 27.097 1.00 73.44 H new ATOM 0 HA THR A 38 -2.550 -16.484 26.022 1.00 60.33 H new ATOM 0 HB THR A 38 -1.347 -14.646 24.996 1.00 65.22 H new ATOM 0 HG1 THR A 38 -2.457 -13.090 27.147 1.00 11.40 H new ATOM 0 HG21 THR A 38 -3.213 -13.249 24.193 1.00 74.50 H new ATOM 0 HG22 THR A 38 -3.658 -14.971 24.252 1.00 74.50 H new ATOM 0 HG23 THR A 38 -4.234 -13.860 25.517 1.00 74.50 H new ATOM 634 N LEU A 39 -1.022 -14.905 28.497 1.00 54.34 N ATOM 635 CA LEU A 39 0.110 -14.974 29.414 1.00 72.12 C ATOM 636 C LEU A 39 -0.366 -15.117 30.856 1.00 23.01 C ATOM 637 O LEU A 39 -0.998 -16.110 31.216 1.00 24.14 O ATOM 638 CB LEU A 39 0.982 -13.725 29.274 1.00 62.42 C ATOM 639 CG LEU A 39 1.776 -13.604 27.973 1.00 44.02 C ATOM 640 CD1 LEU A 39 0.909 -13.016 26.871 1.00 73.33 C ATOM 641 CD2 LEU A 39 3.021 -12.754 28.185 1.00 53.02 C ATOM 0 H LEU A 39 -1.676 -14.146 28.691 1.00 54.34 H new ATOM 0 HA LEU A 39 0.701 -15.853 29.157 1.00 72.12 H new ATOM 0 HB2 LEU A 39 0.343 -12.847 29.369 1.00 62.42 H new ATOM 0 HB3 LEU A 39 1.683 -13.700 30.108 1.00 62.42 H new ATOM 0 HG LEU A 39 2.089 -14.602 27.667 1.00 44.02 H new ATOM 0 HD11 LEU A 39 1.491 -12.937 25.953 1.00 73.33 H new ATOM 0 HD12 LEU A 39 0.048 -13.663 26.701 1.00 73.33 H new ATOM 0 HD13 LEU A 39 0.565 -12.025 27.168 1.00 73.33 H new ATOM 0 HD21 LEU A 39 3.574 -12.679 27.249 1.00 53.02 H new ATOM 0 HD22 LEU A 39 2.729 -11.757 28.515 1.00 53.02 H new ATOM 0 HD23 LEU A 39 3.653 -13.217 28.943 1.00 53.02 H new ATOM 784 N GLY A 49 -0.825 4.179 35.862 1.00 20.41 N ATOM 785 CA GLY A 49 0.424 4.917 35.818 1.00 34.01 C ATOM 786 C GLY A 49 1.539 4.131 35.159 1.00 62.23 C ATOM 787 O GLY A 49 2.646 4.640 34.984 1.00 31.43 O ATOM 0 HA2 GLY A 49 0.272 5.850 35.276 1.00 34.01 H new ATOM 0 HA3 GLY A 49 0.721 5.183 36.832 1.00 34.01 H new ATOM 791 N GLU A 50 1.248 2.886 34.793 1.00 2.21 N ATOM 792 CA GLU A 50 2.237 2.028 34.152 1.00 44.13 C ATOM 793 C GLU A 50 2.660 2.600 32.802 1.00 41.14 C ATOM 794 O GLU A 50 3.717 3.222 32.681 1.00 15.02 O ATOM 795 CB GLU A 50 1.677 0.616 33.967 1.00 42.21 C ATOM 796 CG GLU A 50 1.598 -0.181 35.258 1.00 61.00 C ATOM 797 CD GLU A 50 2.502 -1.398 35.248 1.00 22.41 C ATOM 798 OE1 GLU A 50 3.694 -1.254 35.594 1.00 33.51 O ATOM 799 OE2 GLU A 50 2.019 -2.494 34.895 1.00 61.14 O ATOM 0 H GLU A 50 0.336 2.450 34.930 1.00 2.21 H new ATOM 0 HA GLU A 50 3.113 1.982 34.798 1.00 44.13 H new ATOM 0 HB2 GLU A 50 0.681 0.684 33.530 1.00 42.21 H new ATOM 0 HB3 GLU A 50 2.302 0.077 33.255 1.00 42.21 H new ATOM 0 HG2 GLU A 50 1.870 0.462 36.095 1.00 61.00 H new ATOM 0 HG3 GLU A 50 0.568 -0.499 35.422 1.00 61.00 H new ATOM 806 N LEU A 51 1.829 2.385 31.788 1.00 34.12 N ATOM 807 CA LEU A 51 2.115 2.878 30.445 1.00 1.05 C ATOM 808 C LEU A 51 2.119 4.403 30.415 1.00 40.02 C ATOM 809 O LEU A 51 2.796 5.014 29.589 1.00 53.43 O ATOM 810 CB LEU A 51 1.084 2.339 29.452 1.00 1.22 C ATOM 811 CG LEU A 51 1.229 2.820 28.008 1.00 72.43 C ATOM 812 CD1 LEU A 51 1.937 1.771 27.165 1.00 65.32 C ATOM 813 CD2 LEU A 51 -0.134 3.150 27.417 1.00 61.15 C ATOM 0 H LEU A 51 0.951 1.872 31.870 1.00 34.12 H new ATOM 0 HA LEU A 51 3.105 2.525 30.158 1.00 1.05 H new ATOM 0 HB2 LEU A 51 1.137 1.250 29.458 1.00 1.22 H new ATOM 0 HB3 LEU A 51 0.090 2.612 29.807 1.00 1.22 H new ATOM 0 HG LEU A 51 1.833 3.727 28.006 1.00 72.43 H new ATOM 0 HD11 LEU A 51 2.031 2.131 26.140 1.00 65.32 H new ATOM 0 HD12 LEU A 51 2.929 1.583 27.576 1.00 65.32 H new ATOM 0 HD13 LEU A 51 1.359 0.847 27.173 1.00 65.32 H new ATOM 0 HD21 LEU A 51 -0.012 3.491 26.389 1.00 61.15 H new ATOM 0 HD22 LEU A 51 -0.762 2.259 27.432 1.00 61.15 H new ATOM 0 HD23 LEU A 51 -0.605 3.937 28.006 1.00 61.15 H new ATOM 825 N GLU A 52 1.360 5.010 31.322 1.00 4.11 N ATOM 826 CA GLU A 52 1.278 6.464 31.399 1.00 63.11 C ATOM 827 C GLU A 52 2.556 7.051 31.991 1.00 23.54 C ATOM 828 O GLU A 52 3.192 7.915 31.390 1.00 4.12 O ATOM 829 CB GLU A 52 0.072 6.885 32.241 1.00 4.04 C ATOM 830 CG GLU A 52 -0.039 8.388 32.437 1.00 63.23 C ATOM 831 CD GLU A 52 -1.305 8.963 31.832 1.00 63.33 C ATOM 832 OE1 GLU A 52 -2.375 8.341 31.996 1.00 14.12 O ATOM 833 OE2 GLU A 52 -1.225 10.033 31.194 1.00 50.21 O ATOM 0 H GLU A 52 0.794 4.518 32.013 1.00 4.11 H new ATOM 0 HA GLU A 52 1.157 6.849 30.387 1.00 63.11 H new ATOM 0 HB2 GLU A 52 -0.838 6.521 31.764 1.00 4.04 H new ATOM 0 HB3 GLU A 52 0.135 6.404 33.217 1.00 4.04 H new ATOM 0 HG2 GLU A 52 -0.015 8.614 33.503 1.00 63.23 H new ATOM 0 HG3 GLU A 52 0.827 8.874 31.988 1.00 63.23 H new ATOM 840 N GLY A 53 2.926 6.573 33.176 1.00 12.43 N ATOM 841 CA GLY A 53 4.125 7.062 33.831 1.00 21.34 C ATOM 842 C GLY A 53 5.382 6.388 33.318 1.00 72.52 C ATOM 843 O GLY A 53 6.287 7.050 32.810 1.00 64.15 O ATOM 0 H GLY A 53 2.417 5.856 33.693 1.00 12.43 H new ATOM 0 HA2 GLY A 53 4.205 8.138 33.678 1.00 21.34 H new ATOM 0 HA3 GLY A 53 4.041 6.898 34.905 1.00 21.34 H new ATOM 847 N LEU A 54 5.439 5.067 33.451 1.00 4.11 N ATOM 848 CA LEU A 54 6.596 4.302 32.998 1.00 51.02 C ATOM 849 C LEU A 54 6.820 4.490 31.501 1.00 64.01 C ATOM 850 O LEU A 54 6.198 5.347 30.873 1.00 50.11 O ATOM 851 CB LEU A 54 6.406 2.818 33.314 1.00 31.52 C ATOM 852 CG LEU A 54 5.823 2.494 34.690 1.00 33.21 C ATOM 853 CD1 LEU A 54 5.672 0.991 34.866 1.00 73.34 C ATOM 854 CD2 LEU A 54 6.698 3.076 35.791 1.00 73.13 C ATOM 0 H LEU A 54 4.698 4.504 33.869 1.00 4.11 H new ATOM 0 HA LEU A 54 7.475 4.670 33.528 1.00 51.02 H new ATOM 0 HB2 LEU A 54 5.754 2.386 32.555 1.00 31.52 H new ATOM 0 HB3 LEU A 54 7.372 2.321 33.225 1.00 31.52 H new ATOM 0 HG LEU A 54 4.835 2.948 34.760 1.00 33.21 H new ATOM 0 HD11 LEU A 54 5.256 0.780 35.851 1.00 73.34 H new ATOM 0 HD12 LEU A 54 5.004 0.600 34.098 1.00 73.34 H new ATOM 0 HD13 LEU A 54 6.648 0.514 34.775 1.00 73.34 H new ATOM 0 HD21 LEU A 54 6.268 2.836 36.763 1.00 73.13 H new ATOM 0 HD22 LEU A 54 7.700 2.651 35.722 1.00 73.13 H new ATOM 0 HD23 LEU A 54 6.754 4.159 35.677 1.00 73.13 H new ATOM 866 N ILE A 55 7.711 3.682 30.936 1.00 42.45 N ATOM 867 CA ILE A 55 8.015 3.758 29.512 1.00 72.11 C ATOM 868 C ILE A 55 7.766 2.419 28.825 1.00 53.40 C ATOM 869 O ILE A 55 7.710 1.367 29.462 1.00 2.30 O ATOM 870 CB ILE A 55 9.475 4.183 29.269 1.00 21.23 C ATOM 871 CG1 ILE A 55 10.425 3.322 30.104 1.00 21.42 C ATOM 872 CG2 ILE A 55 9.660 5.657 29.599 1.00 73.51 C ATOM 873 CD1 ILE A 55 11.855 3.814 30.092 1.00 2.14 C ATOM 0 H ILE A 55 8.235 2.968 31.442 1.00 42.45 H new ATOM 0 HA ILE A 55 7.351 4.511 29.088 1.00 72.11 H new ATOM 0 HB ILE A 55 9.710 4.034 28.215 1.00 21.23 H new ATOM 0 HG12 ILE A 55 10.067 3.295 31.133 1.00 21.42 H new ATOM 0 HG13 ILE A 55 10.398 2.299 29.730 1.00 21.42 H new ATOM 0 HG21 ILE A 55 10.697 5.942 29.422 1.00 73.51 H new ATOM 0 HG22 ILE A 55 9.006 6.256 28.966 1.00 73.51 H new ATOM 0 HG23 ILE A 55 9.410 5.830 30.646 1.00 73.51 H new ATOM 0 HD11 ILE A 55 12.471 3.156 30.704 1.00 2.14 H new ATOM 0 HD12 ILE A 55 12.231 3.815 29.069 1.00 2.14 H new ATOM 0 HD13 ILE A 55 11.895 4.826 30.494 1.00 2.14 H new ATOM 885 N PRO A 56 7.614 2.457 27.493 1.00 54.31 N ATOM 886 CA PRO A 56 7.371 1.255 26.689 1.00 15.54 C ATOM 887 C PRO A 56 8.593 0.346 26.622 1.00 13.13 C ATOM 888 O PRO A 56 8.473 -0.877 26.694 1.00 65.10 O ATOM 889 CB PRO A 56 7.044 1.816 25.303 1.00 61.22 C ATOM 890 CG PRO A 56 7.718 3.144 25.263 1.00 53.02 C ATOM 891 CD PRO A 56 7.668 3.676 26.668 1.00 12.14 C ATOM 0 HA PRO A 56 6.579 0.635 27.110 1.00 15.54 H new ATOM 0 HB2 PRO A 56 7.413 1.161 24.514 1.00 61.22 H new ATOM 0 HB3 PRO A 56 5.968 1.914 25.159 1.00 61.22 H new ATOM 0 HG2 PRO A 56 8.748 3.049 24.918 1.00 53.02 H new ATOM 0 HG3 PRO A 56 7.212 3.818 24.572 1.00 53.02 H new ATOM 0 HD2 PRO A 56 8.545 4.280 26.900 1.00 12.14 H new ATOM 0 HD3 PRO A 56 6.794 4.308 26.827 1.00 12.14 H new ATOM 899 N VAL A 57 9.768 0.951 26.485 1.00 42.34 N ATOM 900 CA VAL A 57 11.013 0.196 26.409 1.00 31.35 C ATOM 901 C VAL A 57 11.263 -0.580 27.698 1.00 62.45 C ATOM 902 O VAL A 57 12.018 -1.553 27.712 1.00 43.23 O ATOM 903 CB VAL A 57 12.215 1.120 26.138 1.00 31.20 C ATOM 904 CG1 VAL A 57 13.487 0.304 25.963 1.00 12.21 C ATOM 905 CG2 VAL A 57 11.955 1.986 24.915 1.00 52.11 C ATOM 0 H VAL A 57 9.884 1.963 26.424 1.00 42.34 H new ATOM 0 HA VAL A 57 10.909 -0.504 25.580 1.00 31.35 H new ATOM 0 HB VAL A 57 12.348 1.776 26.998 1.00 31.20 H new ATOM 0 HG11 VAL A 57 14.326 0.974 25.772 1.00 12.21 H new ATOM 0 HG12 VAL A 57 13.679 -0.269 26.870 1.00 12.21 H new ATOM 0 HG13 VAL A 57 13.369 -0.378 25.121 1.00 12.21 H new ATOM 0 HG21 VAL A 57 12.814 2.633 24.738 1.00 52.11 H new ATOM 0 HG22 VAL A 57 11.795 1.349 24.045 1.00 52.11 H new ATOM 0 HG23 VAL A 57 11.069 2.598 25.084 1.00 52.11 H new ATOM 915 N ASP A 58 10.624 -0.145 28.778 1.00 45.23 N ATOM 916 CA ASP A 58 10.776 -0.800 30.072 1.00 42.41 C ATOM 917 C ASP A 58 9.715 -1.879 30.262 1.00 23.14 C ATOM 918 O ASP A 58 10.036 -3.053 30.452 1.00 31.20 O ATOM 919 CB ASP A 58 10.685 0.228 31.201 1.00 32.22 C ATOM 920 CG ASP A 58 11.088 -0.350 32.544 1.00 42.15 C ATOM 921 OD1 ASP A 58 10.280 -1.095 33.135 1.00 20.41 O ATOM 922 OD2 ASP A 58 12.212 -0.056 33.003 1.00 52.30 O ATOM 0 H ASP A 58 9.996 0.658 28.783 1.00 45.23 H new ATOM 0 HA ASP A 58 11.758 -1.273 30.100 1.00 42.41 H new ATOM 0 HB2 ASP A 58 11.326 1.078 30.967 1.00 32.22 H new ATOM 0 HB3 ASP A 58 9.665 0.606 31.263 1.00 32.22 H new ATOM 927 N LEU A 59 8.451 -1.474 30.212 1.00 61.20 N ATOM 928 CA LEU A 59 7.342 -2.407 30.380 1.00 12.40 C ATOM 929 C LEU A 59 7.408 -3.524 29.343 1.00 14.34 C ATOM 930 O LEU A 59 7.033 -4.663 29.620 1.00 43.14 O ATOM 931 CB LEU A 59 6.007 -1.668 30.266 1.00 2.14 C ATOM 932 CG LEU A 59 5.097 -2.099 29.116 1.00 61.21 C ATOM 933 CD1 LEU A 59 3.666 -1.653 29.371 1.00 32.35 C ATOM 934 CD2 LEU A 59 5.605 -1.538 27.795 1.00 34.54 C ATOM 0 H LEU A 59 8.168 -0.506 30.057 1.00 61.20 H new ATOM 0 HA LEU A 59 7.421 -2.852 31.372 1.00 12.40 H new ATOM 0 HB2 LEU A 59 5.462 -1.797 31.201 1.00 2.14 H new ATOM 0 HB3 LEU A 59 6.212 -0.603 30.161 1.00 2.14 H new ATOM 0 HG LEU A 59 5.111 -3.187 29.056 1.00 61.21 H new ATOM 0 HD11 LEU A 59 3.033 -1.969 28.542 1.00 32.35 H new ATOM 0 HD12 LEU A 59 3.304 -2.103 30.295 1.00 32.35 H new ATOM 0 HD13 LEU A 59 3.634 -0.567 29.459 1.00 32.35 H new ATOM 0 HD21 LEU A 59 4.945 -1.855 26.987 1.00 34.54 H new ATOM 0 HD22 LEU A 59 5.621 -0.449 27.844 1.00 34.54 H new ATOM 0 HD23 LEU A 59 6.613 -1.908 27.606 1.00 34.54 H new ATOM 946 N ALA A 60 7.888 -3.189 28.150 1.00 31.13 N ATOM 947 CA ALA A 60 8.007 -4.165 27.074 1.00 50.32 C ATOM 948 C ALA A 60 9.003 -5.261 27.435 1.00 61.54 C ATOM 949 O ALA A 60 8.738 -6.445 27.229 1.00 74.24 O ATOM 950 CB ALA A 60 8.422 -3.477 25.782 1.00 54.34 C ATOM 0 H ALA A 60 8.201 -2.250 27.904 1.00 31.13 H new ATOM 0 HA ALA A 60 7.032 -4.630 26.929 1.00 50.32 H new ATOM 0 HB1 ALA A 60 8.507 -4.217 24.987 1.00 54.34 H new ATOM 0 HB2 ALA A 60 7.672 -2.735 25.508 1.00 54.34 H new ATOM 0 HB3 ALA A 60 9.384 -2.985 25.924 1.00 54.34 H new ATOM 956 N GLU A 61 10.150 -4.859 27.973 1.00 20.21 N ATOM 957 CA GLU A 61 11.186 -5.809 28.361 1.00 70.43 C ATOM 958 C GLU A 61 10.635 -6.848 29.334 1.00 43.21 C ATOM 959 O GLU A 61 11.061 -8.004 29.333 1.00 53.24 O ATOM 960 CB GLU A 61 12.370 -5.077 28.996 1.00 53.45 C ATOM 961 CG GLU A 61 13.589 -4.994 28.093 1.00 24.21 C ATOM 962 CD GLU A 61 14.892 -5.029 28.868 1.00 21.34 C ATOM 963 OE1 GLU A 61 15.150 -6.045 29.547 1.00 23.35 O ATOM 964 OE2 GLU A 61 15.653 -4.042 28.797 1.00 52.24 O ATOM 0 H GLU A 61 10.385 -3.882 28.150 1.00 20.21 H new ATOM 0 HA GLU A 61 11.526 -6.323 27.462 1.00 70.43 H new ATOM 0 HB2 GLU A 61 12.060 -4.068 29.267 1.00 53.45 H new ATOM 0 HB3 GLU A 61 12.647 -5.584 29.920 1.00 53.45 H new ATOM 0 HG2 GLU A 61 13.569 -5.823 27.385 1.00 24.21 H new ATOM 0 HG3 GLU A 61 13.542 -4.075 27.509 1.00 24.21 H new ATOM 971 N LEU A 62 9.687 -6.427 30.164 1.00 23.41 N ATOM 972 CA LEU A 62 9.078 -7.320 31.144 1.00 55.21 C ATOM 973 C LEU A 62 8.121 -8.298 30.469 1.00 42.31 C ATOM 974 O LEU A 62 8.123 -9.492 30.770 1.00 70.22 O ATOM 975 CB LEU A 62 8.331 -6.510 32.206 1.00 44.13 C ATOM 976 CG LEU A 62 7.652 -7.318 33.312 1.00 61.12 C ATOM 977 CD1 LEU A 62 6.300 -7.834 32.843 1.00 45.22 C ATOM 978 CD2 LEU A 62 8.541 -8.472 33.752 1.00 5.34 C ATOM 0 H LEU A 62 9.324 -5.474 30.178 1.00 23.41 H new ATOM 0 HA LEU A 62 9.874 -7.890 31.623 1.00 55.21 H new ATOM 0 HB2 LEU A 62 9.035 -5.819 32.669 1.00 44.13 H new ATOM 0 HB3 LEU A 62 7.573 -5.906 31.707 1.00 44.13 H new ATOM 0 HG LEU A 62 7.491 -6.662 34.168 1.00 61.12 H new ATOM 0 HD11 LEU A 62 5.832 -8.407 33.643 1.00 45.22 H new ATOM 0 HD12 LEU A 62 5.661 -6.992 32.578 1.00 45.22 H new ATOM 0 HD13 LEU A 62 6.437 -8.474 31.971 1.00 45.22 H new ATOM 0 HD21 LEU A 62 8.042 -9.036 34.540 1.00 5.34 H new ATOM 0 HD22 LEU A 62 8.733 -9.127 32.903 1.00 5.34 H new ATOM 0 HD23 LEU A 62 9.486 -8.080 34.129 1.00 5.34 H new ATOM 990 N LEU A 63 7.307 -7.784 29.554 1.00 72.13 N ATOM 991 CA LEU A 63 6.346 -8.612 28.833 1.00 20.43 C ATOM 992 C LEU A 63 7.058 -9.678 28.006 1.00 21.24 C ATOM 993 O LEU A 63 6.734 -10.863 28.092 1.00 70.13 O ATOM 994 CB LEU A 63 5.474 -7.744 27.925 1.00 43.23 C ATOM 995 CG LEU A 63 4.069 -8.273 27.637 1.00 60.32 C ATOM 996 CD1 LEU A 63 3.365 -7.391 26.618 1.00 74.22 C ATOM 997 CD2 LEU A 63 4.131 -9.713 27.146 1.00 5.53 C ATOM 0 H LEU A 63 7.293 -6.798 29.294 1.00 72.13 H new ATOM 0 HA LEU A 63 5.712 -9.110 29.566 1.00 20.43 H new ATOM 0 HB2 LEU A 63 5.383 -6.757 28.378 1.00 43.23 H new ATOM 0 HB3 LEU A 63 5.992 -7.612 26.975 1.00 43.23 H new ATOM 0 HG LEU A 63 3.496 -8.250 28.564 1.00 60.32 H new ATOM 0 HD11 LEU A 63 2.366 -7.783 26.426 1.00 74.22 H new ATOM 0 HD12 LEU A 63 3.287 -6.376 27.007 1.00 74.22 H new ATOM 0 HD13 LEU A 63 3.936 -7.381 25.690 1.00 74.22 H new ATOM 0 HD21 LEU A 63 3.122 -10.073 26.946 1.00 5.53 H new ATOM 0 HD22 LEU A 63 4.721 -9.760 26.231 1.00 5.53 H new ATOM 0 HD23 LEU A 63 4.595 -10.338 27.909 1.00 5.53 H new ATOM 1009 N ILE A 64 8.030 -9.249 27.209 1.00 63.12 N ATOM 1010 CA ILE A 64 8.790 -10.167 26.370 1.00 63.24 C ATOM 1011 C ILE A 64 9.431 -11.272 27.203 1.00 10.32 C ATOM 1012 O ILE A 64 9.569 -12.407 26.747 1.00 13.15 O ATOM 1013 CB ILE A 64 9.890 -9.431 25.582 1.00 52.31 C ATOM 1014 CG1 ILE A 64 10.927 -8.842 26.540 1.00 10.14 C ATOM 1015 CG2 ILE A 64 9.280 -8.338 24.717 1.00 71.15 C ATOM 1016 CD1 ILE A 64 12.096 -8.188 25.838 1.00 24.21 C ATOM 0 H ILE A 64 8.310 -8.272 27.126 1.00 63.12 H new ATOM 0 HA ILE A 64 8.084 -10.608 25.667 1.00 63.24 H new ATOM 0 HB ILE A 64 10.390 -10.147 24.930 1.00 52.31 H new ATOM 0 HG12 ILE A 64 10.441 -8.106 27.181 1.00 10.14 H new ATOM 0 HG13 ILE A 64 11.300 -9.634 27.190 1.00 10.14 H new ATOM 0 HG21 ILE A 64 10.070 -7.827 24.166 1.00 71.15 H new ATOM 0 HG22 ILE A 64 8.575 -8.782 24.013 1.00 71.15 H new ATOM 0 HG23 ILE A 64 8.757 -7.622 25.351 1.00 71.15 H new ATOM 0 HD11 ILE A 64 12.791 -7.793 26.579 1.00 24.21 H new ATOM 0 HD12 ILE A 64 12.607 -8.925 25.218 1.00 24.21 H new ATOM 0 HD13 ILE A 64 11.734 -7.374 25.210 1.00 24.21 H new ATOM 1028 N SER A 65 9.819 -10.931 28.428 1.00 65.50 N ATOM 1029 CA SER A 65 10.448 -11.894 29.326 1.00 54.24 C ATOM 1030 C SER A 65 9.403 -12.810 29.956 1.00 25.32 C ATOM 1031 O SER A 65 9.683 -13.968 30.269 1.00 43.14 O ATOM 1032 CB SER A 65 11.232 -11.166 30.420 1.00 75.44 C ATOM 1033 OG SER A 65 10.487 -11.102 31.624 1.00 70.33 O ATOM 0 H SER A 65 9.709 -9.996 28.821 1.00 65.50 H new ATOM 0 HA SER A 65 11.136 -12.505 28.742 1.00 54.24 H new ATOM 0 HB2 SER A 65 12.176 -11.681 30.599 1.00 75.44 H new ATOM 0 HB3 SER A 65 11.477 -10.158 30.086 1.00 75.44 H new ATOM 0 HG SER A 65 9.660 -10.600 31.470 1.00 70.33 H new ATOM 1039 N LYS A 66 8.198 -12.284 30.141 1.00 54.23 N ATOM 1040 CA LYS A 66 7.109 -13.052 30.733 1.00 60.44 C ATOM 1041 C LYS A 66 6.949 -14.398 30.032 1.00 3.20 C ATOM 1042 O LYS A 66 7.141 -15.452 30.640 1.00 53.55 O ATOM 1043 CB LYS A 66 5.799 -12.265 30.653 1.00 61.13 C ATOM 1044 CG LYS A 66 4.567 -13.103 30.949 1.00 41.44 C ATOM 1045 CD LYS A 66 4.616 -13.692 32.348 1.00 24.12 C ATOM 1046 CE LYS A 66 4.303 -15.181 32.337 1.00 4.54 C ATOM 1047 NZ LYS A 66 3.031 -15.475 31.622 1.00 11.40 N ATOM 0 H LYS A 66 7.950 -11.327 29.889 1.00 54.23 H new ATOM 0 HA LYS A 66 7.353 -13.233 31.780 1.00 60.44 H new ATOM 0 HB2 LYS A 66 5.841 -11.434 31.357 1.00 61.13 H new ATOM 0 HB3 LYS A 66 5.704 -11.834 29.656 1.00 61.13 H new ATOM 0 HG2 LYS A 66 3.673 -12.488 30.843 1.00 41.44 H new ATOM 0 HG3 LYS A 66 4.489 -13.907 30.217 1.00 41.44 H new ATOM 0 HD2 LYS A 66 5.605 -13.530 32.778 1.00 24.12 H new ATOM 0 HD3 LYS A 66 3.902 -13.174 32.987 1.00 24.12 H new ATOM 0 HE2 LYS A 66 5.121 -15.720 31.860 1.00 4.54 H new ATOM 0 HE3 LYS A 66 4.236 -15.546 33.362 1.00 4.54 H new ATOM 0 HZ1 LYS A 66 2.668 -16.401 31.926 1.00 11.40 H new ATOM 0 HZ2 LYS A 66 2.330 -14.739 31.843 1.00 11.40 H new ATOM 0 HZ3 LYS A 66 3.205 -15.491 30.597 1.00 11.40 H new ATOM 1061 N TYR A 67 6.599 -14.355 28.751 1.00 1.24 N ATOM 1062 CA TYR A 67 6.413 -15.571 27.969 1.00 51.23 C ATOM 1063 C TYR A 67 7.322 -15.575 26.743 1.00 0.45 C ATOM 1064 O TYR A 67 7.888 -16.604 26.380 1.00 65.23 O ATOM 1065 CB TYR A 67 4.952 -15.704 27.534 1.00 24.23 C ATOM 1066 CG TYR A 67 4.558 -17.115 27.161 1.00 62.32 C ATOM 1067 CD1 TYR A 67 5.109 -17.740 26.048 1.00 13.23 C ATOM 1068 CD2 TYR A 67 3.635 -17.824 27.919 1.00 13.25 C ATOM 1069 CE1 TYR A 67 4.751 -19.029 25.703 1.00 42.34 C ATOM 1070 CE2 TYR A 67 3.272 -19.113 27.582 1.00 24.43 C ATOM 1071 CZ TYR A 67 3.833 -19.711 26.473 1.00 61.50 C ATOM 1072 OH TYR A 67 3.474 -20.995 26.133 1.00 73.51 O ATOM 0 H TYR A 67 6.439 -13.491 28.233 1.00 1.24 H new ATOM 0 HA TYR A 67 6.677 -16.421 28.598 1.00 51.23 H new ATOM 0 HB2 TYR A 67 4.308 -15.357 28.342 1.00 24.23 H new ATOM 0 HB3 TYR A 67 4.774 -15.049 26.681 1.00 24.23 H new ATOM 0 HD1 TYR A 67 5.829 -17.209 25.443 1.00 13.23 H new ATOM 0 HD2 TYR A 67 3.193 -17.359 28.788 1.00 13.25 H new ATOM 0 HE1 TYR A 67 5.188 -19.500 24.835 1.00 42.34 H new ATOM 0 HE2 TYR A 67 2.553 -19.650 28.183 1.00 24.43 H new ATOM 0 HH TYR A 67 2.819 -21.333 26.778 1.00 73.51 H new ATOM 1082 N GLY A 68 7.457 -14.413 26.111 1.00 53.21 N ATOM 1083 CA GLY A 68 8.298 -14.302 24.934 1.00 61.33 C ATOM 1084 C GLY A 68 8.062 -13.014 24.171 1.00 11.20 C ATOM 1085 O GLY A 68 6.943 -12.504 24.134 1.00 13.33 O ATOM 0 H GLY A 68 6.999 -13.547 26.393 1.00 53.21 H new ATOM 0 HA2 GLY A 68 9.345 -14.357 25.233 1.00 61.33 H new ATOM 0 HA3 GLY A 68 8.110 -15.150 24.276 1.00 61.33 H new ATOM 1089 N GLU A 69 9.119 -12.486 23.562 1.00 2.22 N ATOM 1090 CA GLU A 69 9.021 -11.247 22.799 1.00 31.12 C ATOM 1091 C GLU A 69 8.075 -11.412 21.613 1.00 32.23 C ATOM 1092 O GLU A 69 7.429 -10.457 21.181 1.00 2.14 O ATOM 1093 CB GLU A 69 10.403 -10.814 22.306 1.00 24.54 C ATOM 1094 CG GLU A 69 11.180 -11.926 21.620 1.00 2.34 C ATOM 1095 CD GLU A 69 12.289 -11.399 20.730 1.00 53.30 C ATOM 1096 OE1 GLU A 69 12.159 -10.262 20.230 1.00 1.11 O ATOM 1097 OE2 GLU A 69 13.286 -12.124 20.533 1.00 23.15 O ATOM 0 H GLU A 69 10.053 -12.897 23.582 1.00 2.22 H new ATOM 0 HA GLU A 69 8.620 -10.476 23.457 1.00 31.12 H new ATOM 0 HB2 GLU A 69 10.288 -9.981 21.612 1.00 24.54 H new ATOM 0 HB3 GLU A 69 10.983 -10.446 23.152 1.00 24.54 H new ATOM 0 HG2 GLU A 69 11.608 -12.585 22.376 1.00 2.34 H new ATOM 0 HG3 GLU A 69 10.495 -12.528 21.023 1.00 2.34 H new ATOM 1104 N LYS A 70 7.998 -12.631 21.090 1.00 24.24 N ATOM 1105 CA LYS A 70 7.132 -12.924 19.955 1.00 72.30 C ATOM 1106 C LYS A 70 5.676 -12.616 20.288 1.00 14.30 C ATOM 1107 O LYS A 70 5.143 -11.583 19.884 1.00 40.24 O ATOM 1108 CB LYS A 70 7.272 -14.392 19.545 1.00 24.13 C ATOM 1109 CG LYS A 70 8.646 -14.743 19.001 1.00 43.32 C ATOM 1110 CD LYS A 70 9.011 -13.875 17.808 1.00 25.10 C ATOM 1111 CE LYS A 70 10.182 -12.957 18.124 1.00 25.31 C ATOM 1112 NZ LYS A 70 10.771 -12.365 16.891 1.00 2.33 N ATOM 0 H LYS A 70 8.526 -13.433 21.435 1.00 24.24 H new ATOM 0 HA LYS A 70 7.439 -12.290 19.123 1.00 72.30 H new ATOM 0 HB2 LYS A 70 7.060 -15.023 20.408 1.00 24.13 H new ATOM 0 HB3 LYS A 70 6.521 -14.623 18.789 1.00 24.13 H new ATOM 0 HG2 LYS A 70 9.392 -14.617 19.786 1.00 43.32 H new ATOM 0 HG3 LYS A 70 8.665 -15.793 18.708 1.00 43.32 H new ATOM 0 HD2 LYS A 70 9.264 -14.510 16.959 1.00 25.10 H new ATOM 0 HD3 LYS A 70 8.148 -13.278 17.514 1.00 25.10 H new ATOM 0 HE2 LYS A 70 9.849 -12.158 18.787 1.00 25.31 H new ATOM 0 HE3 LYS A 70 10.948 -13.517 18.660 1.00 25.31 H new ATOM 0 HZ1 LYS A 70 11.566 -11.746 17.149 1.00 2.33 H new ATOM 0 HZ2 LYS A 70 11.112 -13.126 16.269 1.00 2.33 H new ATOM 0 HZ3 LYS A 70 10.047 -11.809 16.393 1.00 2.33 H new ATOM 1126 N GLU A 71 5.039 -13.518 21.028 1.00 14.55 N ATOM 1127 CA GLU A 71 3.644 -13.340 21.416 1.00 41.43 C ATOM 1128 C GLU A 71 3.418 -11.954 22.013 1.00 52.42 C ATOM 1129 O GLU A 71 2.315 -11.412 21.951 1.00 75.02 O ATOM 1130 CB GLU A 71 3.230 -14.415 22.423 1.00 41.42 C ATOM 1131 CG GLU A 71 4.129 -14.481 23.646 1.00 13.33 C ATOM 1132 CD GLU A 71 3.430 -14.015 24.909 1.00 44.51 C ATOM 1133 OE1 GLU A 71 2.724 -14.833 25.534 1.00 41.03 O ATOM 1134 OE2 GLU A 71 3.591 -12.830 25.272 1.00 31.41 O ATOM 0 H GLU A 71 5.466 -14.379 21.371 1.00 14.55 H new ATOM 0 HA GLU A 71 3.030 -13.436 20.521 1.00 41.43 H new ATOM 0 HB2 GLU A 71 2.206 -14.225 22.745 1.00 41.42 H new ATOM 0 HB3 GLU A 71 3.233 -15.386 21.927 1.00 41.42 H new ATOM 0 HG2 GLU A 71 4.475 -15.506 23.783 1.00 13.33 H new ATOM 0 HG3 GLU A 71 5.013 -13.866 23.476 1.00 13.33 H new ATOM 1141 N ALA A 72 4.471 -11.386 22.591 1.00 10.14 N ATOM 1142 CA ALA A 72 4.389 -10.063 23.198 1.00 34.34 C ATOM 1143 C ALA A 72 3.733 -9.064 22.251 1.00 65.22 C ATOM 1144 O ALA A 72 2.663 -8.529 22.540 1.00 4.40 O ATOM 1145 CB ALA A 72 5.774 -9.581 23.602 1.00 11.42 C ATOM 0 H ALA A 72 5.391 -11.821 22.652 1.00 10.14 H new ATOM 0 HA ALA A 72 3.768 -10.138 24.091 1.00 34.34 H new ATOM 0 HB1 ALA A 72 5.698 -8.592 24.054 1.00 11.42 H new ATOM 0 HB2 ALA A 72 6.206 -10.276 24.322 1.00 11.42 H new ATOM 0 HB3 ALA A 72 6.413 -9.529 22.720 1.00 11.42 H new ATOM 1151 N VAL A 73 4.383 -8.817 21.118 1.00 50.23 N ATOM 1152 CA VAL A 73 3.863 -7.882 20.127 1.00 42.10 C ATOM 1153 C VAL A 73 2.462 -8.280 19.677 1.00 20.43 C ATOM 1154 O VAL A 73 1.616 -7.426 19.412 1.00 44.13 O ATOM 1155 CB VAL A 73 4.783 -7.802 18.894 1.00 52.10 C ATOM 1156 CG1 VAL A 73 4.041 -7.196 17.713 1.00 74.15 C ATOM 1157 CG2 VAL A 73 6.035 -7.000 19.215 1.00 22.51 C ATOM 0 H VAL A 73 5.270 -9.251 20.864 1.00 50.23 H new ATOM 0 HA VAL A 73 3.823 -6.904 20.606 1.00 42.10 H new ATOM 0 HB VAL A 73 5.086 -8.813 18.622 1.00 52.10 H new ATOM 0 HG11 VAL A 73 4.707 -7.147 16.851 1.00 74.15 H new ATOM 0 HG12 VAL A 73 3.177 -7.815 17.470 1.00 74.15 H new ATOM 0 HG13 VAL A 73 3.707 -6.191 17.970 1.00 74.15 H new ATOM 0 HG21 VAL A 73 6.674 -6.954 18.333 1.00 22.51 H new ATOM 0 HG22 VAL A 73 5.754 -5.990 19.513 1.00 22.51 H new ATOM 0 HG23 VAL A 73 6.576 -7.481 20.030 1.00 22.51 H new ATOM 1167 N LYS A 74 2.222 -9.585 19.594 1.00 11.43 N ATOM 1168 CA LYS A 74 0.922 -10.099 19.179 1.00 44.15 C ATOM 1169 C LYS A 74 -0.153 -9.751 20.203 1.00 72.53 C ATOM 1170 O LYS A 74 -1.269 -9.375 19.843 1.00 62.31 O ATOM 1171 CB LYS A 74 0.989 -11.616 18.987 1.00 13.23 C ATOM 1172 CG LYS A 74 2.247 -12.085 18.277 1.00 55.12 C ATOM 1173 CD LYS A 74 2.037 -13.430 17.602 1.00 20.22 C ATOM 1174 CE LYS A 74 1.719 -14.519 18.616 1.00 42.31 C ATOM 1175 NZ LYS A 74 0.685 -15.463 18.110 1.00 51.00 N ATOM 0 H LYS A 74 2.911 -10.306 19.809 1.00 11.43 H new ATOM 0 HA LYS A 74 0.659 -9.630 18.231 1.00 44.15 H new ATOM 0 HB2 LYS A 74 0.930 -12.100 19.962 1.00 13.23 H new ATOM 0 HB3 LYS A 74 0.118 -11.940 18.417 1.00 13.23 H new ATOM 0 HG2 LYS A 74 2.543 -11.346 17.533 1.00 55.12 H new ATOM 0 HG3 LYS A 74 3.064 -12.160 18.994 1.00 55.12 H new ATOM 0 HD2 LYS A 74 1.223 -13.353 16.881 1.00 20.22 H new ATOM 0 HD3 LYS A 74 2.933 -13.702 17.043 1.00 20.22 H new ATOM 0 HE2 LYS A 74 2.629 -15.070 18.854 1.00 42.31 H new ATOM 0 HE3 LYS A 74 1.371 -14.062 19.543 1.00 42.31 H new ATOM 0 HZ1 LYS A 74 0.496 -16.190 18.830 1.00 51.00 H new ATOM 0 HZ2 LYS A 74 -0.191 -14.941 17.907 1.00 51.00 H new ATOM 0 HZ3 LYS A 74 1.027 -15.918 17.240 1.00 51.00 H new ATOM 1189 N VAL A 75 0.190 -9.879 21.481 1.00 53.33 N ATOM 1190 CA VAL A 75 -0.746 -9.576 22.557 1.00 1.41 C ATOM 1191 C VAL A 75 -1.204 -8.123 22.494 1.00 75.01 C ATOM 1192 O VAL A 75 -2.275 -7.776 22.994 1.00 64.10 O ATOM 1193 CB VAL A 75 -0.119 -9.845 23.938 1.00 72.10 C ATOM 1194 CG1 VAL A 75 -0.990 -9.265 25.042 1.00 21.01 C ATOM 1195 CG2 VAL A 75 0.094 -11.337 24.144 1.00 72.10 C ATOM 0 H VAL A 75 1.109 -10.190 21.796 1.00 53.33 H new ATOM 0 HA VAL A 75 -1.606 -10.232 22.422 1.00 1.41 H new ATOM 0 HB VAL A 75 0.853 -9.353 23.979 1.00 72.10 H new ATOM 0 HG11 VAL A 75 -0.531 -9.465 26.010 1.00 21.01 H new ATOM 0 HG12 VAL A 75 -1.087 -8.188 24.901 1.00 21.01 H new ATOM 0 HG13 VAL A 75 -1.977 -9.726 25.006 1.00 21.01 H new ATOM 0 HG21 VAL A 75 0.538 -11.509 25.125 1.00 72.10 H new ATOM 0 HG22 VAL A 75 -0.864 -11.853 24.084 1.00 72.10 H new ATOM 0 HG23 VAL A 75 0.761 -11.719 23.372 1.00 72.10 H new ATOM 1205 N VAL A 76 -0.387 -7.277 21.875 1.00 13.41 N ATOM 1206 CA VAL A 76 -0.709 -5.861 21.744 1.00 13.45 C ATOM 1207 C VAL A 76 -1.694 -5.624 20.605 1.00 13.22 C ATOM 1208 O VAL A 76 -2.735 -4.991 20.791 1.00 62.13 O ATOM 1209 CB VAL A 76 0.556 -5.018 21.498 1.00 40.30 C ATOM 1210 CG1 VAL A 76 0.233 -3.810 20.631 1.00 30.13 C ATOM 1211 CG2 VAL A 76 1.174 -4.586 22.819 1.00 31.13 C ATOM 0 H VAL A 76 0.503 -7.548 21.456 1.00 13.41 H new ATOM 0 HA VAL A 76 -1.165 -5.552 22.685 1.00 13.45 H new ATOM 0 HB VAL A 76 1.283 -5.633 20.967 1.00 40.30 H new ATOM 0 HG11 VAL A 76 1.139 -3.226 20.468 1.00 30.13 H new ATOM 0 HG12 VAL A 76 -0.160 -4.146 19.671 1.00 30.13 H new ATOM 0 HG13 VAL A 76 -0.512 -3.191 21.132 1.00 30.13 H new ATOM 0 HG21 VAL A 76 2.067 -3.991 22.626 1.00 31.13 H new ATOM 0 HG22 VAL A 76 0.455 -3.989 23.379 1.00 31.13 H new ATOM 0 HG23 VAL A 76 1.444 -5.468 23.400 1.00 31.13 H new ATOM 1221 N LEU A 77 -1.360 -6.136 19.426 1.00 54.11 N ATOM 1222 CA LEU A 77 -2.216 -5.981 18.255 1.00 70.25 C ATOM 1223 C LEU A 77 -3.501 -6.789 18.408 1.00 65.31 C ATOM 1224 O LEU A 77 -4.602 -6.259 18.260 1.00 20.32 O ATOM 1225 CB LEU A 77 -1.471 -6.420 16.993 1.00 72.53 C ATOM 1226 CG LEU A 77 -0.714 -7.746 17.087 1.00 12.33 C ATOM 1227 CD1 LEU A 77 -1.454 -8.838 16.331 1.00 31.21 C ATOM 1228 CD2 LEU A 77 0.702 -7.590 16.553 1.00 21.21 C ATOM 0 H LEU A 77 -0.503 -6.662 19.255 1.00 54.11 H new ATOM 0 HA LEU A 77 -2.480 -4.927 18.166 1.00 70.25 H new ATOM 0 HB2 LEU A 77 -2.190 -6.492 16.177 1.00 72.53 H new ATOM 0 HB3 LEU A 77 -0.761 -5.638 16.724 1.00 72.53 H new ATOM 0 HG LEU A 77 -0.655 -8.036 18.136 1.00 12.33 H new ATOM 0 HD11 LEU A 77 -0.900 -9.774 16.409 1.00 31.21 H new ATOM 0 HD12 LEU A 77 -2.448 -8.967 16.759 1.00 31.21 H new ATOM 0 HD13 LEU A 77 -1.545 -8.557 15.282 1.00 31.21 H new ATOM 0 HD21 LEU A 77 1.226 -8.543 16.628 1.00 21.21 H new ATOM 0 HD22 LEU A 77 0.665 -7.277 15.510 1.00 21.21 H new ATOM 0 HD23 LEU A 77 1.231 -6.838 17.139 1.00 21.21 H new ATOM 1240 N LYS A 78 -3.352 -8.075 18.707 1.00 31.32 N ATOM 1241 CA LYS A 78 -4.499 -8.957 18.885 1.00 74.53 C ATOM 1242 C LYS A 78 -5.536 -8.323 19.806 1.00 12.12 C ATOM 1243 O LYS A 78 -6.735 -8.377 19.537 1.00 15.24 O ATOM 1244 CB LYS A 78 -4.050 -10.304 19.456 1.00 22.11 C ATOM 1245 CG LYS A 78 -4.953 -11.462 19.067 1.00 3.21 C ATOM 1246 CD LYS A 78 -5.613 -12.087 20.284 1.00 34.13 C ATOM 1247 CE LYS A 78 -6.989 -11.490 20.540 1.00 22.11 C ATOM 1248 NZ LYS A 78 -7.972 -11.895 19.498 1.00 70.33 N ATOM 0 H LYS A 78 -2.447 -8.530 18.831 1.00 31.32 H new ATOM 0 HA LYS A 78 -4.956 -9.118 17.909 1.00 74.53 H new ATOM 0 HB2 LYS A 78 -3.036 -10.514 19.114 1.00 22.11 H new ATOM 0 HB3 LYS A 78 -4.012 -10.234 20.543 1.00 22.11 H new ATOM 0 HG2 LYS A 78 -5.720 -11.111 18.376 1.00 3.21 H new ATOM 0 HG3 LYS A 78 -4.371 -12.217 18.539 1.00 3.21 H new ATOM 0 HD2 LYS A 78 -5.704 -13.163 20.138 1.00 34.13 H new ATOM 0 HD3 LYS A 78 -4.981 -11.936 21.159 1.00 34.13 H new ATOM 0 HE2 LYS A 78 -7.346 -11.808 21.519 1.00 22.11 H new ATOM 0 HE3 LYS A 78 -6.914 -10.403 20.566 1.00 22.11 H new ATOM 0 HZ1 LYS A 78 -8.937 -11.768 19.863 1.00 70.33 H new ATOM 0 HZ2 LYS A 78 -7.842 -11.306 18.651 1.00 70.33 H new ATOM 0 HZ3 LYS A 78 -7.824 -12.894 19.251 1.00 70.33 H new ATOM 1262 N GLY A 79 -5.065 -7.720 20.894 1.00 71.41 N ATOM 1263 CA GLY A 79 -5.965 -7.083 21.837 1.00 21.04 C ATOM 1264 C GLY A 79 -6.326 -5.668 21.429 1.00 23.45 C ATOM 1265 O GLY A 79 -7.348 -5.132 21.859 1.00 72.15 O ATOM 0 H GLY A 79 -4.076 -7.662 21.139 1.00 71.41 H new ATOM 0 HA2 GLY A 79 -6.875 -7.676 21.923 1.00 21.04 H new ATOM 0 HA3 GLY A 79 -5.501 -7.066 22.823 1.00 21.04 H new ATOM 1269 N LEU A 80 -5.484 -5.061 20.600 1.00 55.10 N ATOM 1270 CA LEU A 80 -5.719 -3.698 20.135 1.00 61.31 C ATOM 1271 C LEU A 80 -6.846 -3.660 19.108 1.00 50.22 C ATOM 1272 O LEU A 80 -7.562 -2.665 18.992 1.00 10.13 O ATOM 1273 CB LEU A 80 -4.440 -3.119 19.528 1.00 52.54 C ATOM 1274 CG LEU A 80 -3.574 -2.277 20.465 1.00 2.31 C ATOM 1275 CD1 LEU A 80 -2.333 -1.777 19.741 1.00 73.42 C ATOM 1276 CD2 LEU A 80 -4.373 -1.109 21.025 1.00 20.11 C ATOM 0 H LEU A 80 -4.633 -5.490 20.236 1.00 55.10 H new ATOM 0 HA LEU A 80 -6.014 -3.093 20.992 1.00 61.31 H new ATOM 0 HB2 LEU A 80 -3.835 -3.944 19.150 1.00 52.54 H new ATOM 0 HB3 LEU A 80 -4.714 -2.505 18.670 1.00 52.54 H new ATOM 0 HG LEU A 80 -3.256 -2.906 21.296 1.00 2.31 H new ATOM 0 HD11 LEU A 80 -1.729 -1.180 20.424 1.00 73.42 H new ATOM 0 HD12 LEU A 80 -1.749 -2.628 19.390 1.00 73.42 H new ATOM 0 HD13 LEU A 80 -2.630 -1.165 18.890 1.00 73.42 H new ATOM 0 HD21 LEU A 80 -3.740 -0.521 21.690 1.00 20.11 H new ATOM 0 HD22 LEU A 80 -4.721 -0.480 20.206 1.00 20.11 H new ATOM 0 HD23 LEU A 80 -5.230 -1.488 21.581 1.00 20.11 H new ATOM 1288 N LYS A 81 -7.000 -4.750 18.365 1.00 64.44 N ATOM 1289 CA LYS A 81 -8.042 -4.844 17.349 1.00 24.30 C ATOM 1290 C LYS A 81 -9.407 -4.501 17.937 1.00 63.32 C ATOM 1291 O LYS A 81 -10.079 -3.579 17.474 1.00 21.35 O ATOM 1292 CB LYS A 81 -8.072 -6.252 16.749 1.00 51.32 C ATOM 1293 CG LYS A 81 -7.142 -6.427 15.561 1.00 40.42 C ATOM 1294 CD LYS A 81 -7.914 -6.497 14.254 1.00 42.22 C ATOM 1295 CE LYS A 81 -8.459 -7.894 14.003 1.00 62.43 C ATOM 1296 NZ LYS A 81 -8.088 -8.400 12.652 1.00 54.22 N ATOM 0 H LYS A 81 -6.416 -5.582 18.447 1.00 64.44 H new ATOM 0 HA LYS A 81 -7.814 -4.125 16.562 1.00 24.30 H new ATOM 0 HB2 LYS A 81 -7.801 -6.973 17.521 1.00 51.32 H new ATOM 0 HB3 LYS A 81 -9.091 -6.484 16.439 1.00 51.32 H new ATOM 0 HG2 LYS A 81 -6.437 -5.596 15.524 1.00 40.42 H new ATOM 0 HG3 LYS A 81 -6.556 -7.337 15.688 1.00 40.42 H new ATOM 0 HD2 LYS A 81 -8.737 -5.783 14.278 1.00 42.22 H new ATOM 0 HD3 LYS A 81 -7.263 -6.206 13.430 1.00 42.22 H new ATOM 0 HE2 LYS A 81 -8.077 -8.575 14.763 1.00 62.43 H new ATOM 0 HE3 LYS A 81 -9.545 -7.883 14.101 1.00 62.43 H new ATOM 0 HZ1 LYS A 81 -8.478 -9.355 12.520 1.00 54.22 H new ATOM 0 HZ2 LYS A 81 -8.474 -7.764 11.925 1.00 54.22 H new ATOM 0 HZ3 LYS A 81 -7.052 -8.435 12.567 1.00 54.22 H new ATOM 1310 N VAL A 82 -9.810 -5.248 18.960 1.00 73.13 N ATOM 1311 CA VAL A 82 -11.094 -5.021 19.612 1.00 31.15 C ATOM 1312 C VAL A 82 -11.172 -3.616 20.198 1.00 40.30 C ATOM 1313 O VAL A 82 -12.222 -3.190 20.678 1.00 52.44 O ATOM 1314 CB VAL A 82 -11.343 -6.047 20.734 1.00 23.10 C ATOM 1315 CG1 VAL A 82 -12.819 -6.096 21.095 1.00 34.42 C ATOM 1316 CG2 VAL A 82 -10.841 -7.422 20.319 1.00 42.22 C ATOM 0 H VAL A 82 -9.266 -6.015 19.355 1.00 73.13 H new ATOM 0 HA VAL A 82 -11.862 -5.136 18.847 1.00 31.15 H new ATOM 0 HB VAL A 82 -10.788 -5.734 21.618 1.00 23.10 H new ATOM 0 HG11 VAL A 82 -12.975 -6.826 21.889 1.00 34.42 H new ATOM 0 HG12 VAL A 82 -13.143 -5.113 21.437 1.00 34.42 H new ATOM 0 HG13 VAL A 82 -13.399 -6.384 20.218 1.00 34.42 H new ATOM 0 HG21 VAL A 82 -11.025 -8.134 21.123 1.00 42.22 H new ATOM 0 HG22 VAL A 82 -11.367 -7.745 19.421 1.00 42.22 H new ATOM 0 HG23 VAL A 82 -9.771 -7.373 20.115 1.00 42.22 H new ATOM 1326 N MET A 83 -10.053 -2.900 20.155 1.00 52.33 N ATOM 1327 CA MET A 83 -9.995 -1.540 20.680 1.00 74.43 C ATOM 1328 C MET A 83 -10.026 -0.519 19.548 1.00 44.45 C ATOM 1329 O MET A 83 -10.098 0.686 19.788 1.00 61.31 O ATOM 1330 CB MET A 83 -8.732 -1.349 21.521 1.00 32.24 C ATOM 1331 CG MET A 83 -8.916 -1.714 22.985 1.00 34.54 C ATOM 1332 SD MET A 83 -10.191 -0.728 23.792 1.00 15.54 S ATOM 1333 CE MET A 83 -9.261 0.741 24.224 1.00 62.25 C ATOM 0 H MET A 83 -9.175 -3.238 19.762 1.00 52.33 H new ATOM 0 HA MET A 83 -10.870 -1.383 21.311 1.00 74.43 H new ATOM 0 HB2 MET A 83 -7.931 -1.957 21.101 1.00 32.24 H new ATOM 0 HB3 MET A 83 -8.413 -0.309 21.452 1.00 32.24 H new ATOM 0 HG2 MET A 83 -9.176 -2.770 23.062 1.00 34.54 H new ATOM 0 HG3 MET A 83 -7.971 -1.579 23.511 1.00 34.54 H new ATOM 0 HE1 MET A 83 -9.383 0.949 25.287 1.00 62.25 H new ATOM 0 HE2 MET A 83 -8.205 0.581 24.004 1.00 62.25 H new ATOM 0 HE3 MET A 83 -9.628 1.588 23.644 1.00 62.25 H new ATOM 1343 N ASN A 84 -9.969 -1.008 18.313 1.00 13.10 N ATOM 1344 CA ASN A 84 -9.989 -0.136 17.144 1.00 74.52 C ATOM 1345 C ASN A 84 -8.712 0.693 17.062 1.00 43.41 C ATOM 1346 O ASN A 84 -8.760 1.919 16.952 1.00 14.34 O ATOM 1347 CB ASN A 84 -11.208 0.787 17.191 1.00 74.11 C ATOM 1348 CG ASN A 84 -11.805 1.027 15.818 1.00 51.24 C ATOM 1349 OD1 ASN A 84 -11.111 1.446 14.891 1.00 24.14 O ATOM 1350 ND2 ASN A 84 -13.099 0.763 15.681 1.00 72.35 N ATOM 0 H ASN A 84 -9.909 -2.003 18.096 1.00 13.10 H new ATOM 0 HA ASN A 84 -10.051 -0.763 16.255 1.00 74.52 H new ATOM 0 HB2 ASN A 84 -11.965 0.351 17.842 1.00 74.11 H new ATOM 0 HB3 ASN A 84 -10.921 1.742 17.631 1.00 74.11 H new ATOM 0 HD21 ASN A 84 -13.556 0.906 14.780 1.00 72.35 H new ATOM 0 HD22 ASN A 84 -13.636 0.417 16.476 1.00 72.35 H new ATOM 1357 N LEU A 85 -7.569 0.017 17.115 1.00 15.30 N ATOM 1358 CA LEU A 85 -6.278 0.691 17.046 1.00 5.31 C ATOM 1359 C LEU A 85 -5.497 0.248 15.813 1.00 52.23 C ATOM 1360 O LEU A 85 -4.267 0.302 15.791 1.00 42.44 O ATOM 1361 CB LEU A 85 -5.463 0.405 18.309 1.00 40.41 C ATOM 1362 CG LEU A 85 -5.530 1.469 19.406 1.00 63.23 C ATOM 1363 CD1 LEU A 85 -5.506 2.863 18.799 1.00 2.35 C ATOM 1364 CD2 LEU A 85 -6.775 1.277 20.259 1.00 51.40 C ATOM 0 H LEU A 85 -7.511 -0.997 17.206 1.00 15.30 H new ATOM 0 HA LEU A 85 -6.460 1.763 16.973 1.00 5.31 H new ATOM 0 HB2 LEU A 85 -5.801 -0.543 18.729 1.00 40.41 H new ATOM 0 HB3 LEU A 85 -4.420 0.273 18.022 1.00 40.41 H new ATOM 0 HG LEU A 85 -4.655 1.359 20.047 1.00 63.23 H new ATOM 0 HD11 LEU A 85 -5.554 3.607 19.594 1.00 2.35 H new ATOM 0 HD12 LEU A 85 -4.585 2.997 18.232 1.00 2.35 H new ATOM 0 HD13 LEU A 85 -6.362 2.985 18.135 1.00 2.35 H new ATOM 0 HD21 LEU A 85 -6.806 2.043 21.034 1.00 51.40 H new ATOM 0 HD22 LEU A 85 -7.662 1.359 19.631 1.00 51.40 H new ATOM 0 HD23 LEU A 85 -6.749 0.291 20.723 1.00 51.40 H new ATOM 1376 N LEU A 86 -6.220 -0.188 14.787 1.00 30.11 N ATOM 1377 CA LEU A 86 -5.596 -0.639 13.548 1.00 41.31 C ATOM 1378 C LEU A 86 -4.817 0.494 12.887 1.00 3.15 C ATOM 1379 O LEU A 86 -3.998 0.261 11.999 1.00 23.33 O ATOM 1380 CB LEU A 86 -6.657 -1.173 12.584 1.00 0.32 C ATOM 1381 CG LEU A 86 -7.417 -2.417 13.045 1.00 65.33 C ATOM 1382 CD1 LEU A 86 -8.806 -2.043 13.536 1.00 33.21 C ATOM 1383 CD2 LEU A 86 -7.504 -3.436 11.918 1.00 64.41 C ATOM 0 H LEU A 86 -7.239 -0.239 14.789 1.00 30.11 H new ATOM 0 HA LEU A 86 -4.899 -1.441 13.792 1.00 41.31 H new ATOM 0 HB2 LEU A 86 -7.380 -0.379 12.395 1.00 0.32 H new ATOM 0 HB3 LEU A 86 -6.175 -1.398 11.633 1.00 0.32 H new ATOM 0 HG LEU A 86 -6.871 -2.867 13.874 1.00 65.33 H new ATOM 0 HD11 LEU A 86 -9.332 -2.941 13.860 1.00 33.21 H new ATOM 0 HD12 LEU A 86 -8.722 -1.350 14.373 1.00 33.21 H new ATOM 0 HD13 LEU A 86 -9.362 -1.569 12.727 1.00 33.21 H new ATOM 0 HD21 LEU A 86 -8.048 -4.315 12.263 1.00 64.41 H new ATOM 0 HD22 LEU A 86 -8.027 -2.996 11.069 1.00 64.41 H new ATOM 0 HD23 LEU A 86 -6.499 -3.728 11.613 1.00 64.41 H new ATOM 1395 N GLU A 87 -5.077 1.721 13.329 1.00 24.44 N ATOM 1396 CA GLU A 87 -4.398 2.889 12.781 1.00 1.14 C ATOM 1397 C GLU A 87 -2.883 2.711 12.830 1.00 71.14 C ATOM 1398 O GLU A 87 -2.248 2.417 11.816 1.00 54.34 O ATOM 1399 CB GLU A 87 -4.799 4.148 13.553 1.00 51.11 C ATOM 1400 CG GLU A 87 -3.917 5.350 13.258 1.00 31.41 C ATOM 1401 CD GLU A 87 -4.716 6.617 13.025 1.00 14.15 C ATOM 1402 OE1 GLU A 87 -5.560 6.953 13.883 1.00 70.24 O ATOM 1403 OE2 GLU A 87 -4.497 7.273 11.986 1.00 54.34 O ATOM 0 H GLU A 87 -5.752 1.931 14.064 1.00 24.44 H new ATOM 0 HA GLU A 87 -4.700 2.998 11.739 1.00 1.14 H new ATOM 0 HB2 GLU A 87 -5.832 4.398 13.312 1.00 51.11 H new ATOM 0 HB3 GLU A 87 -4.764 3.935 14.621 1.00 51.11 H new ATOM 0 HG2 GLU A 87 -3.231 5.506 14.091 1.00 31.41 H new ATOM 0 HG3 GLU A 87 -3.308 5.142 12.378 1.00 31.41 H new ATOM 1410 N LEU A 88 -2.310 2.891 14.014 1.00 22.03 N ATOM 1411 CA LEU A 88 -0.869 2.751 14.196 1.00 31.13 C ATOM 1412 C LEU A 88 -0.445 1.291 14.077 1.00 23.32 C ATOM 1413 O LEU A 88 0.691 0.991 13.707 1.00 13.42 O ATOM 1414 CB LEU A 88 -0.451 3.306 15.559 1.00 20.10 C ATOM 1415 CG LEU A 88 -0.533 2.331 16.734 1.00 4.34 C ATOM 1416 CD1 LEU A 88 -1.927 1.732 16.835 1.00 24.10 C ATOM 1417 CD2 LEU A 88 0.513 1.235 16.591 1.00 34.54 C ATOM 0 H LEU A 88 -2.821 3.134 14.863 1.00 22.03 H new ATOM 0 HA LEU A 88 -0.371 3.320 13.411 1.00 31.13 H new ATOM 0 HB2 LEU A 88 0.575 3.667 15.483 1.00 20.10 H new ATOM 0 HB3 LEU A 88 -1.077 4.169 15.785 1.00 20.10 H new ATOM 0 HG LEU A 88 -0.330 2.881 17.653 1.00 4.34 H new ATOM 0 HD11 LEU A 88 -1.966 1.041 17.677 1.00 24.10 H new ATOM 0 HD12 LEU A 88 -2.655 2.529 16.986 1.00 24.10 H new ATOM 0 HD13 LEU A 88 -2.160 1.196 15.915 1.00 24.10 H new ATOM 0 HD21 LEU A 88 0.440 0.550 17.436 1.00 34.54 H new ATOM 0 HD22 LEU A 88 0.342 0.687 15.664 1.00 34.54 H new ATOM 0 HD23 LEU A 88 1.507 1.681 16.570 1.00 34.54 H new ATOM 1429 N VAL A 89 -1.365 0.385 14.391 1.00 32.45 N ATOM 1430 CA VAL A 89 -1.088 -1.045 14.317 1.00 42.24 C ATOM 1431 C VAL A 89 -0.797 -1.474 12.883 1.00 40.21 C ATOM 1432 O VAL A 89 -0.055 -2.428 12.648 1.00 41.42 O ATOM 1433 CB VAL A 89 -2.266 -1.874 14.860 1.00 32.51 C ATOM 1434 CG1 VAL A 89 -2.343 -3.219 14.154 1.00 71.51 C ATOM 1435 CG2 VAL A 89 -2.138 -2.059 16.365 1.00 61.55 C ATOM 0 H VAL A 89 -2.309 0.616 14.699 1.00 32.45 H new ATOM 0 HA VAL A 89 -0.209 -1.230 14.935 1.00 42.24 H new ATOM 0 HB VAL A 89 -3.191 -1.333 14.661 1.00 32.51 H new ATOM 0 HG11 VAL A 89 -3.182 -3.791 14.551 1.00 71.51 H new ATOM 0 HG12 VAL A 89 -2.485 -3.061 13.085 1.00 71.51 H new ATOM 0 HG13 VAL A 89 -1.417 -3.770 14.319 1.00 71.51 H new ATOM 0 HG21 VAL A 89 -2.979 -2.647 16.732 1.00 61.55 H new ATOM 0 HG22 VAL A 89 -1.206 -2.578 16.590 1.00 61.55 H new ATOM 0 HG23 VAL A 89 -2.137 -1.084 16.853 1.00 61.55 H new ATOM 1445 N ASP A 90 -1.386 -0.763 11.928 1.00 40.04 N ATOM 1446 CA ASP A 90 -1.189 -1.069 10.515 1.00 11.24 C ATOM 1447 C ASP A 90 0.272 -1.403 10.230 1.00 33.33 C ATOM 1448 O ASP A 90 0.577 -2.439 9.639 1.00 13.25 O ATOM 1449 CB ASP A 90 -1.633 0.111 9.649 1.00 35.04 C ATOM 1450 CG ASP A 90 -2.257 -0.334 8.341 1.00 12.31 C ATOM 1451 OD1 ASP A 90 -1.506 -0.764 7.441 1.00 23.11 O ATOM 1452 OD2 ASP A 90 -3.497 -0.252 8.218 1.00 70.25 O ATOM 0 H ASP A 90 -2.004 0.029 12.106 1.00 40.04 H new ATOM 0 HA ASP A 90 -1.797 -1.940 10.269 1.00 11.24 H new ATOM 0 HB2 ASP A 90 -2.351 0.715 10.204 1.00 35.04 H new ATOM 0 HB3 ASP A 90 -0.774 0.748 9.440 1.00 35.04 H new ATOM 1457 N GLN A 91 1.169 -0.519 10.653 1.00 24.14 N ATOM 1458 CA GLN A 91 2.598 -0.721 10.442 1.00 51.55 C ATOM 1459 C GLN A 91 3.162 -1.720 11.446 1.00 74.31 C ATOM 1460 O GLN A 91 3.679 -2.772 11.067 1.00 5.23 O ATOM 1461 CB GLN A 91 3.344 0.610 10.555 1.00 63.15 C ATOM 1462 CG GLN A 91 3.990 1.058 9.253 1.00 33.12 C ATOM 1463 CD GLN A 91 4.843 2.299 9.422 1.00 1.41 C ATOM 1464 OE1 GLN A 91 4.338 3.422 9.398 1.00 51.13 O ATOM 1465 NE2 GLN A 91 6.145 2.104 9.595 1.00 41.10 N ATOM 0 H GLN A 91 0.932 0.343 11.143 1.00 24.14 H new ATOM 0 HA GLN A 91 2.738 -1.125 9.439 1.00 51.55 H new ATOM 0 HB2 GLN A 91 2.648 1.380 10.889 1.00 63.15 H new ATOM 0 HB3 GLN A 91 4.114 0.522 11.321 1.00 63.15 H new ATOM 0 HG2 GLN A 91 4.606 0.249 8.860 1.00 33.12 H new ATOM 0 HG3 GLN A 91 3.213 1.254 8.515 1.00 33.12 H new ATOM 0 HE21 GLN A 91 6.521 1.156 9.608 1.00 41.10 H new ATOM 0 HE22 GLN A 91 6.769 2.902 9.715 1.00 41.10 H new ATOM 1474 N LEU A 92 3.058 -1.386 12.727 1.00 1.14 N ATOM 1475 CA LEU A 92 3.558 -2.255 13.787 1.00 1.54 C ATOM 1476 C LEU A 92 3.395 -3.723 13.410 1.00 21.41 C ATOM 1477 O LEU A 92 4.331 -4.514 13.532 1.00 1.51 O ATOM 1478 CB LEU A 92 2.823 -1.968 15.098 1.00 74.22 C ATOM 1479 CG LEU A 92 2.997 -3.007 16.206 1.00 35.21 C ATOM 1480 CD1 LEU A 92 2.069 -4.191 15.979 1.00 52.43 C ATOM 1481 CD2 LEU A 92 4.445 -3.469 16.282 1.00 75.15 C ATOM 0 H LEU A 92 2.632 -0.520 13.057 1.00 1.14 H new ATOM 0 HA LEU A 92 4.620 -2.050 13.921 1.00 1.54 H new ATOM 0 HB2 LEU A 92 3.160 -1.003 15.476 1.00 74.22 H new ATOM 0 HB3 LEU A 92 1.759 -1.872 14.881 1.00 74.22 H new ATOM 0 HG LEU A 92 2.734 -2.543 17.157 1.00 35.21 H new ATOM 0 HD11 LEU A 92 2.207 -4.920 16.778 1.00 52.43 H new ATOM 0 HD12 LEU A 92 1.035 -3.847 15.976 1.00 52.43 H new ATOM 0 HD13 LEU A 92 2.299 -4.655 15.020 1.00 52.43 H new ATOM 0 HD21 LEU A 92 4.550 -4.208 17.076 1.00 75.15 H new ATOM 0 HD22 LEU A 92 4.735 -3.915 15.331 1.00 75.15 H new ATOM 0 HD23 LEU A 92 5.089 -2.615 16.494 1.00 75.15 H new ATOM 1493 N SER A 93 2.201 -4.082 12.949 1.00 11.23 N ATOM 1494 CA SER A 93 1.915 -5.456 12.555 1.00 34.21 C ATOM 1495 C SER A 93 2.765 -5.866 11.357 1.00 62.13 C ATOM 1496 O SER A 93 3.402 -6.920 11.364 1.00 73.31 O ATOM 1497 CB SER A 93 0.430 -5.614 12.219 1.00 24.24 C ATOM 1498 OG SER A 93 0.013 -4.638 11.281 1.00 41.11 O ATOM 0 H SER A 93 1.416 -3.440 12.839 1.00 11.23 H new ATOM 0 HA SER A 93 2.162 -6.107 13.394 1.00 34.21 H new ATOM 0 HB2 SER A 93 0.249 -6.611 11.816 1.00 24.24 H new ATOM 0 HB3 SER A 93 -0.163 -5.525 13.129 1.00 24.24 H new ATOM 0 HG SER A 93 -0.345 -3.859 11.756 1.00 41.11 H new ATOM 1504 N HIS A 94 2.771 -5.025 10.328 1.00 51.34 N ATOM 1505 CA HIS A 94 3.543 -5.298 9.121 1.00 63.11 C ATOM 1506 C HIS A 94 5.037 -5.136 9.384 1.00 44.41 C ATOM 1507 O HIS A 94 5.861 -5.362 8.497 1.00 25.14 O ATOM 1508 CB HIS A 94 3.108 -4.366 7.989 1.00 25.15 C ATOM 1509 CG HIS A 94 1.943 -4.882 7.203 1.00 30.10 C ATOM 1510 ND1 HIS A 94 1.553 -4.344 5.995 1.00 62.34 N ATOM 1511 CD2 HIS A 94 1.082 -5.895 7.458 1.00 54.41 C ATOM 1512 CE1 HIS A 94 0.501 -5.002 5.541 1.00 24.51 C ATOM 1513 NE2 HIS A 94 0.195 -5.949 6.410 1.00 4.23 N ATOM 0 H HIS A 94 2.250 -4.148 10.306 1.00 51.34 H new ATOM 0 HA HIS A 94 3.354 -6.330 8.824 1.00 63.11 H new ATOM 0 HB2 HIS A 94 2.850 -3.394 8.409 1.00 25.15 H new ATOM 0 HB3 HIS A 94 3.950 -4.209 7.315 1.00 25.15 H new ATOM 0 HD2 HIS A 94 1.091 -6.540 8.324 1.00 54.41 H new ATOM 0 HE1 HIS A 94 -0.020 -4.800 4.617 1.00 24.51 H new ATOM 0 HE2 HIS A 94 -0.574 -6.612 6.318 1.00 4.23 H new ATOM 1521 N ILE A 95 5.379 -4.741 10.606 1.00 33.40 N ATOM 1522 CA ILE A 95 6.773 -4.549 10.985 1.00 60.14 C ATOM 1523 C ILE A 95 7.244 -5.652 11.927 1.00 70.05 C ATOM 1524 O ILE A 95 8.435 -5.959 11.993 1.00 10.44 O ATOM 1525 CB ILE A 95 6.989 -3.183 11.663 1.00 61.41 C ATOM 1526 CG1 ILE A 95 6.676 -2.049 10.685 1.00 0.22 C ATOM 1527 CG2 ILE A 95 8.416 -3.068 12.178 1.00 51.41 C ATOM 1528 CD1 ILE A 95 7.678 -1.928 9.559 1.00 64.03 C ATOM 0 H ILE A 95 4.709 -4.548 11.351 1.00 33.40 H new ATOM 0 HA ILE A 95 7.358 -4.586 10.066 1.00 60.14 H new ATOM 0 HB ILE A 95 6.310 -3.103 12.512 1.00 61.41 H new ATOM 0 HG12 ILE A 95 5.684 -2.208 10.262 1.00 0.22 H new ATOM 0 HG13 ILE A 95 6.642 -1.107 11.233 1.00 0.22 H new ATOM 0 HG21 ILE A 95 8.554 -2.097 12.655 1.00 51.41 H new ATOM 0 HG22 ILE A 95 8.606 -3.859 12.904 1.00 51.41 H new ATOM 0 HG23 ILE A 95 9.112 -3.165 11.345 1.00 51.41 H new ATOM 0 HD11 ILE A 95 7.393 -1.104 8.905 1.00 64.03 H new ATOM 0 HD12 ILE A 95 8.668 -1.737 9.972 1.00 64.03 H new ATOM 0 HD13 ILE A 95 7.696 -2.856 8.987 1.00 64.03 H new