USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 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 Set 1.1: A 25 ASN : amide:sc= -0.221 K(o=0.21,f=-1.7!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -152:sc= 0.432 (180deg=-0.514) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 173:sc= -0.76 (180deg=-0.89) 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 -51:sc= -0.932 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.14) 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+ 157:sc= -0.0399 (180deg=-0.327) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -125:sc= -5.27! (180deg=-11.3!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 91 GLN : amide:sc= 0.0526 K(o=0.053,f=-3.1!) USER MOD Single : A 93 SER OG : rot -174:sc= -0.958 USER MOD Single : A 94 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 11.773 -5.767 17.830 1.00 63.13 N ATOM 165 CA ARG A 12 11.755 -5.582 19.276 1.00 73.13 C ATOM 166 C ARG A 12 11.459 -4.129 19.634 1.00 3.40 C ATOM 167 O ARG A 12 10.611 -3.849 20.481 1.00 44.45 O ATOM 168 CB ARG A 12 13.093 -6.006 19.883 1.00 62.32 C ATOM 169 CG ARG A 12 13.212 -5.703 21.368 1.00 71.35 C ATOM 170 CD ARG A 12 14.530 -6.207 21.935 1.00 14.03 C ATOM 171 NE ARG A 12 15.667 -5.427 21.454 1.00 13.02 N ATOM 172 CZ ARG A 12 16.914 -5.613 21.870 1.00 24.32 C ATOM 173 NH1 ARG A 12 17.184 -6.549 22.770 1.00 11.12 N ATOM 174 NH2 ARG A 12 17.896 -4.863 21.385 1.00 33.33 N ATOM 0 HA ARG A 12 10.963 -6.208 19.687 1.00 73.13 H new ATOM 0 HB2 ARG A 12 13.230 -7.076 19.727 1.00 62.32 H new ATOM 0 HB3 ARG A 12 13.900 -5.501 19.352 1.00 62.32 H new ATOM 0 HG2 ARG A 12 13.133 -4.628 21.529 1.00 71.35 H new ATOM 0 HG3 ARG A 12 12.383 -6.167 21.903 1.00 71.35 H new ATOM 0 HD2 ARG A 12 14.496 -6.165 23.024 1.00 14.03 H new ATOM 0 HD3 ARG A 12 14.666 -7.253 21.661 1.00 14.03 H new ATOM 0 HE ARG A 12 15.494 -4.699 20.760 1.00 13.02 H new ATOM 0 HH11 ARG A 12 16.433 -7.128 23.144 1.00 11.12 H new ATOM 0 HH12 ARG A 12 18.143 -6.690 23.088 1.00 11.12 H new ATOM 0 HH21 ARG A 12 17.693 -4.143 20.692 1.00 33.33 H new ATOM 0 HH22 ARG A 12 18.854 -5.007 21.705 1.00 33.33 H new ATOM 188 N GLU A 13 12.165 -3.209 18.984 1.00 44.22 N ATOM 189 CA GLU A 13 11.979 -1.785 19.236 1.00 42.33 C ATOM 190 C GLU A 13 10.588 -1.333 18.800 1.00 3.51 C ATOM 191 O GLU A 13 10.109 -0.278 19.215 1.00 51.33 O ATOM 192 CB GLU A 13 13.046 -0.970 18.500 1.00 33.34 C ATOM 193 CG GLU A 13 14.463 -1.265 18.963 1.00 72.23 C ATOM 194 CD GLU A 13 15.352 -0.037 18.938 1.00 31.12 C ATOM 195 OE1 GLU A 13 14.917 1.021 19.438 1.00 12.10 O ATOM 196 OE2 GLU A 13 16.484 -0.135 18.419 1.00 74.11 O ATOM 0 H GLU A 13 12.870 -3.424 18.279 1.00 44.22 H new ATOM 0 HA GLU A 13 12.078 -1.616 20.308 1.00 42.33 H new ATOM 0 HB2 GLU A 13 12.972 -1.172 17.431 1.00 33.34 H new ATOM 0 HB3 GLU A 13 12.841 0.091 18.639 1.00 33.34 H new ATOM 0 HG2 GLU A 13 14.434 -1.668 19.976 1.00 72.23 H new ATOM 0 HG3 GLU A 13 14.896 -2.036 18.326 1.00 72.23 H new ATOM 203 N ALA A 14 9.946 -2.139 17.961 1.00 44.42 N ATOM 204 CA ALA A 14 8.611 -1.823 17.470 1.00 73.12 C ATOM 205 C ALA A 14 7.569 -1.983 18.572 1.00 73.25 C ATOM 206 O ALA A 14 6.650 -1.172 18.694 1.00 3.45 O ATOM 207 CB ALA A 14 8.264 -2.706 16.280 1.00 13.30 C ATOM 0 H ALA A 14 10.329 -3.016 17.607 1.00 44.42 H new ATOM 0 HA ALA A 14 8.605 -0.781 17.149 1.00 73.12 H new ATOM 0 HB1 ALA A 14 7.264 -2.459 15.923 1.00 13.30 H new ATOM 0 HB2 ALA A 14 8.986 -2.539 15.481 1.00 13.30 H new ATOM 0 HB3 ALA A 14 8.293 -3.753 16.583 1.00 13.30 H new ATOM 213 N LEU A 15 7.716 -3.034 19.370 1.00 21.43 N ATOM 214 CA LEU A 15 6.787 -3.302 20.463 1.00 54.45 C ATOM 215 C LEU A 15 6.904 -2.238 21.550 1.00 61.41 C ATOM 216 O LEU A 15 5.904 -1.821 22.136 1.00 61.12 O ATOM 217 CB LEU A 15 7.051 -4.686 21.056 1.00 24.24 C ATOM 218 CG LEU A 15 6.032 -5.183 22.082 1.00 0.54 C ATOM 219 CD1 LEU A 15 6.306 -4.569 23.447 1.00 54.23 C ATOM 220 CD2 LEU A 15 4.616 -4.862 21.626 1.00 63.23 C ATOM 0 H LEU A 15 8.470 -3.715 19.281 1.00 21.43 H new ATOM 0 HA LEU A 15 5.774 -3.274 20.061 1.00 54.45 H new ATOM 0 HB2 LEU A 15 7.095 -5.407 20.239 1.00 24.24 H new ATOM 0 HB3 LEU A 15 8.034 -4.676 21.526 1.00 24.24 H new ATOM 0 HG LEU A 15 6.129 -6.265 22.167 1.00 0.54 H new ATOM 0 HD11 LEU A 15 5.571 -4.934 24.164 1.00 54.23 H new ATOM 0 HD12 LEU A 15 7.306 -4.849 23.778 1.00 54.23 H new ATOM 0 HD13 LEU A 15 6.237 -3.483 23.378 1.00 54.23 H new ATOM 0 HD21 LEU A 15 3.904 -5.223 22.368 1.00 63.23 H new ATOM 0 HD22 LEU A 15 4.506 -3.784 21.512 1.00 63.23 H new ATOM 0 HD23 LEU A 15 4.422 -5.349 20.670 1.00 63.23 H new ATOM 232 N LEU A 16 8.131 -1.802 21.814 1.00 71.45 N ATOM 233 CA LEU A 16 8.380 -0.785 22.829 1.00 35.22 C ATOM 234 C LEU A 16 7.826 0.567 22.392 1.00 1.43 C ATOM 235 O LEU A 16 7.171 1.262 23.170 1.00 24.40 O ATOM 236 CB LEU A 16 9.879 -0.670 23.107 1.00 3.31 C ATOM 237 CG LEU A 16 10.640 -1.989 23.245 1.00 50.04 C ATOM 238 CD1 LEU A 16 12.133 -1.733 23.383 1.00 54.42 C ATOM 239 CD2 LEU A 16 10.121 -2.782 24.435 1.00 72.41 C ATOM 0 H LEU A 16 8.969 -2.137 21.339 1.00 71.45 H new ATOM 0 HA LEU A 16 7.870 -1.087 23.744 1.00 35.22 H new ATOM 0 HB2 LEU A 16 10.334 -0.094 22.301 1.00 3.31 H new ATOM 0 HB3 LEU A 16 10.015 -0.098 24.025 1.00 3.31 H new ATOM 0 HG LEU A 16 10.475 -2.577 22.342 1.00 50.04 H new ATOM 0 HD11 LEU A 16 12.658 -2.683 23.480 1.00 54.42 H new ATOM 0 HD12 LEU A 16 12.495 -1.207 22.500 1.00 54.42 H new ATOM 0 HD13 LEU A 16 12.318 -1.125 24.268 1.00 54.42 H new ATOM 0 HD21 LEU A 16 10.674 -3.718 24.518 1.00 72.41 H new ATOM 0 HD22 LEU A 16 10.255 -2.200 25.347 1.00 72.41 H new ATOM 0 HD23 LEU A 16 9.062 -2.998 24.294 1.00 72.41 H new ATOM 251 N TRP A 17 8.092 0.934 21.144 1.00 73.22 N ATOM 252 CA TRP A 17 7.618 2.203 20.603 1.00 61.34 C ATOM 253 C TRP A 17 6.115 2.160 20.350 1.00 61.42 C ATOM 254 O TRP A 17 5.427 3.172 20.473 1.00 14.11 O ATOM 255 CB TRP A 17 8.357 2.535 19.305 1.00 33.21 C ATOM 256 CG TRP A 17 8.868 3.943 19.256 1.00 31.12 C ATOM 257 CD1 TRP A 17 8.121 5.086 19.250 1.00 50.24 C ATOM 258 CD2 TRP A 17 10.238 4.356 19.205 1.00 32.12 C ATOM 259 NE1 TRP A 17 8.944 6.185 19.198 1.00 41.25 N ATOM 260 CE2 TRP A 17 10.247 5.764 19.170 1.00 3.14 C ATOM 261 CE3 TRP A 17 11.457 3.674 19.188 1.00 62.33 C ATOM 262 CZ2 TRP A 17 11.429 6.499 19.118 1.00 54.22 C ATOM 263 CZ3 TRP A 17 12.629 4.405 19.135 1.00 33.32 C ATOM 264 CH2 TRP A 17 12.608 5.805 19.102 1.00 51.34 C ATOM 0 H TRP A 17 8.633 0.371 20.488 1.00 73.22 H new ATOM 0 HA TRP A 17 7.821 2.982 21.338 1.00 61.34 H new ATOM 0 HB2 TRP A 17 9.195 1.848 19.186 1.00 33.21 H new ATOM 0 HB3 TRP A 17 7.687 2.370 18.461 1.00 33.21 H new ATOM 0 HD1 TRP A 17 7.042 5.121 19.281 1.00 50.24 H new ATOM 0 HE1 TRP A 17 8.635 7.157 19.183 1.00 41.25 H new ATOM 0 HE3 TRP A 17 11.483 2.595 19.216 1.00 62.33 H new ATOM 0 HZ2 TRP A 17 11.415 7.579 19.091 1.00 54.22 H new ATOM 0 HZ3 TRP A 17 13.577 3.888 19.119 1.00 33.32 H new ATOM 0 HH2 TRP A 17 13.541 6.348 19.063 1.00 51.34 H new ATOM 275 N ALA A 18 5.612 0.981 19.996 1.00 45.31 N ATOM 276 CA ALA A 18 4.190 0.807 19.728 1.00 23.11 C ATOM 277 C ALA A 18 3.382 0.828 21.021 1.00 73.32 C ATOM 278 O ALA A 18 2.476 1.646 21.186 1.00 42.43 O ATOM 279 CB ALA A 18 3.951 -0.493 18.974 1.00 12.04 C ATOM 0 H ALA A 18 6.168 0.133 19.888 1.00 45.31 H new ATOM 0 HA ALA A 18 3.857 1.640 19.109 1.00 23.11 H new ATOM 0 HB1 ALA A 18 2.885 -0.611 18.780 1.00 12.04 H new ATOM 0 HB2 ALA A 18 4.491 -0.469 18.028 1.00 12.04 H new ATOM 0 HB3 ALA A 18 4.305 -1.332 19.573 1.00 12.04 H new ATOM 285 N LEU A 19 3.713 -0.077 21.935 1.00 22.30 N ATOM 286 CA LEU A 19 3.017 -0.163 23.214 1.00 31.31 C ATOM 287 C LEU A 19 2.985 1.194 23.909 1.00 52.20 C ATOM 288 O LEU A 19 2.081 1.480 24.694 1.00 74.41 O ATOM 289 CB LEU A 19 3.694 -1.196 24.117 1.00 1.54 C ATOM 290 CG LEU A 19 4.964 -0.732 24.832 1.00 51.21 C ATOM 291 CD1 LEU A 19 4.614 0.073 26.074 1.00 40.44 C ATOM 292 CD2 LEU A 19 5.837 -1.924 25.196 1.00 72.14 C ATOM 0 H LEU A 19 4.459 -0.762 21.814 1.00 22.30 H new ATOM 0 HA LEU A 19 1.991 -0.475 23.021 1.00 31.31 H new ATOM 0 HB2 LEU A 19 2.974 -1.519 24.870 1.00 1.54 H new ATOM 0 HB3 LEU A 19 3.939 -2.071 23.515 1.00 1.54 H new ATOM 0 HG LEU A 19 5.525 -0.089 24.154 1.00 51.21 H new ATOM 0 HD11 LEU A 19 5.530 0.394 26.569 1.00 40.44 H new ATOM 0 HD12 LEU A 19 4.030 0.948 25.788 1.00 40.44 H new ATOM 0 HD13 LEU A 19 4.031 -0.546 26.756 1.00 40.44 H new ATOM 0 HD21 LEU A 19 6.736 -1.575 25.704 1.00 72.14 H new ATOM 0 HD22 LEU A 19 5.284 -2.592 25.856 1.00 72.14 H new ATOM 0 HD23 LEU A 19 6.117 -2.460 24.289 1.00 72.14 H new ATOM 304 N SER A 20 3.977 2.028 23.613 1.00 15.32 N ATOM 305 CA SER A 20 4.063 3.356 24.211 1.00 71.44 C ATOM 306 C SER A 20 3.262 4.370 23.400 1.00 72.44 C ATOM 307 O SER A 20 2.893 5.431 23.903 1.00 73.14 O ATOM 308 CB SER A 20 5.523 3.801 24.306 1.00 44.23 C ATOM 309 OG SER A 20 5.633 5.051 24.964 1.00 43.53 O ATOM 0 H SER A 20 4.732 1.808 22.963 1.00 15.32 H new ATOM 0 HA SER A 20 3.640 3.304 25.214 1.00 71.44 H new ATOM 0 HB2 SER A 20 6.101 3.050 24.845 1.00 44.23 H new ATOM 0 HB3 SER A 20 5.950 3.874 23.306 1.00 44.23 H new ATOM 0 HG SER A 20 6.576 5.313 25.013 1.00 43.53 H new ATOM 315 N ASP A 21 2.997 4.035 22.142 1.00 72.53 N ATOM 316 CA ASP A 21 2.239 4.914 21.260 1.00 54.14 C ATOM 317 C ASP A 21 0.787 5.023 21.717 1.00 63.41 C ATOM 318 O ASP A 21 0.133 6.044 21.504 1.00 11.45 O ATOM 319 CB ASP A 21 2.296 4.401 19.820 1.00 32.41 C ATOM 320 CG ASP A 21 2.887 5.419 18.865 1.00 31.12 C ATOM 321 OD1 ASP A 21 2.188 6.401 18.537 1.00 21.21 O ATOM 322 OD2 ASP A 21 4.049 5.235 18.447 1.00 73.54 O ATOM 0 H ASP A 21 3.296 3.161 21.710 1.00 72.53 H new ATOM 0 HA ASP A 21 2.690 5.905 21.302 1.00 54.14 H new ATOM 0 HB2 ASP A 21 2.890 3.488 19.786 1.00 32.41 H new ATOM 0 HB3 ASP A 21 1.290 4.139 19.491 1.00 32.41 H new ATOM 327 N LEU A 22 0.289 3.963 22.344 1.00 24.14 N ATOM 328 CA LEU A 22 -1.086 3.938 22.831 1.00 4.12 C ATOM 329 C LEU A 22 -1.158 4.404 24.282 1.00 52.33 C ATOM 330 O LEU A 22 -0.162 4.373 25.004 1.00 75.41 O ATOM 331 CB LEU A 22 -1.666 2.528 22.707 1.00 50.20 C ATOM 332 CG LEU A 22 -0.679 1.377 22.899 1.00 65.44 C ATOM 333 CD1 LEU A 22 -1.316 0.255 23.705 1.00 41.44 C ATOM 334 CD2 LEU A 22 -0.195 0.859 21.552 1.00 43.22 C ATOM 0 H LEU A 22 0.817 3.110 22.527 1.00 24.14 H new ATOM 0 HA LEU A 22 -1.675 4.622 22.219 1.00 4.12 H new ATOM 0 HB2 LEU A 22 -2.466 2.420 23.440 1.00 50.20 H new ATOM 0 HB3 LEU A 22 -2.121 2.429 21.721 1.00 50.20 H new ATOM 0 HG LEU A 22 0.182 1.751 23.453 1.00 65.44 H new ATOM 0 HD11 LEU A 22 -0.598 -0.555 23.831 1.00 41.44 H new ATOM 0 HD12 LEU A 22 -1.612 0.633 24.684 1.00 41.44 H new ATOM 0 HD13 LEU A 22 -2.195 -0.118 23.179 1.00 41.44 H new ATOM 0 HD21 LEU A 22 0.507 0.040 21.708 1.00 43.22 H new ATOM 0 HD22 LEU A 22 -1.046 0.502 20.972 1.00 43.22 H new ATOM 0 HD23 LEU A 22 0.301 1.664 21.010 1.00 43.22 H new ATOM 346 N GLU A 23 -2.344 4.835 24.701 1.00 31.40 N ATOM 347 CA GLU A 23 -2.546 5.306 26.066 1.00 30.32 C ATOM 348 C GLU A 23 -2.551 4.139 27.049 1.00 32.43 C ATOM 349 O GLU A 23 -2.871 3.008 26.684 1.00 64.01 O ATOM 350 CB GLU A 23 -3.860 6.082 26.172 1.00 13.03 C ATOM 351 CG GLU A 23 -3.821 7.441 25.493 1.00 31.23 C ATOM 352 CD GLU A 23 -5.203 8.032 25.291 1.00 2.14 C ATOM 353 OE1 GLU A 23 -5.991 8.040 26.260 1.00 12.21 O ATOM 354 OE2 GLU A 23 -5.496 8.486 24.166 1.00 42.22 O ATOM 0 H GLU A 23 -3.178 4.868 24.115 1.00 31.40 H new ATOM 0 HA GLU A 23 -1.719 5.969 26.320 1.00 30.32 H new ATOM 0 HB2 GLU A 23 -4.660 5.488 25.731 1.00 13.03 H new ATOM 0 HB3 GLU A 23 -4.108 6.218 27.225 1.00 13.03 H new ATOM 0 HG2 GLU A 23 -3.221 8.126 26.093 1.00 31.23 H new ATOM 0 HG3 GLU A 23 -3.326 7.346 24.527 1.00 31.23 H new ATOM 361 N GLU A 24 -2.194 4.423 28.298 1.00 72.20 N ATOM 362 CA GLU A 24 -2.156 3.397 29.333 1.00 33.52 C ATOM 363 C GLU A 24 -3.536 2.776 29.535 1.00 1.21 C ATOM 364 O GLU A 24 -3.657 1.585 29.816 1.00 30.22 O ATOM 365 CB GLU A 24 -1.653 3.989 30.651 1.00 34.34 C ATOM 366 CG GLU A 24 -1.412 2.949 31.733 1.00 52.11 C ATOM 367 CD GLU A 24 -2.701 2.416 32.328 1.00 71.04 C ATOM 368 OE1 GLU A 24 -3.676 3.191 32.420 1.00 32.00 O ATOM 369 OE2 GLU A 24 -2.735 1.225 32.701 1.00 70.13 O ATOM 0 H GLU A 24 -1.927 5.354 28.617 1.00 72.20 H new ATOM 0 HA GLU A 24 -1.469 2.615 29.009 1.00 33.52 H new ATOM 0 HB2 GLU A 24 -0.725 4.530 30.466 1.00 34.34 H new ATOM 0 HB3 GLU A 24 -2.379 4.716 31.013 1.00 34.34 H new ATOM 0 HG2 GLU A 24 -0.840 2.121 31.315 1.00 52.11 H new ATOM 0 HG3 GLU A 24 -0.805 3.388 32.525 1.00 52.11 H new ATOM 376 N ASN A 25 -4.573 3.595 29.390 1.00 71.51 N ATOM 377 CA ASN A 25 -5.944 3.127 29.557 1.00 15.33 C ATOM 378 C ASN A 25 -6.380 2.281 28.365 1.00 53.31 C ATOM 379 O ASN A 25 -7.528 1.843 28.288 1.00 54.51 O ATOM 380 CB ASN A 25 -6.893 4.316 29.728 1.00 61.24 C ATOM 381 CG ASN A 25 -7.953 4.063 30.782 1.00 73.21 C ATOM 382 OD1 ASN A 25 -8.066 2.957 31.312 1.00 55.24 O ATOM 383 ND2 ASN A 25 -8.737 5.089 31.091 1.00 2.40 N ATOM 0 H ASN A 25 -4.490 4.585 29.158 1.00 71.51 H new ATOM 0 HA ASN A 25 -5.983 2.507 30.453 1.00 15.33 H new ATOM 0 HB2 ASN A 25 -6.317 5.200 30.001 1.00 61.24 H new ATOM 0 HB3 ASN A 25 -7.376 4.532 28.775 1.00 61.24 H new ATOM 0 HD21 ASN A 25 -9.469 4.978 31.793 1.00 2.40 H new ATOM 0 HD22 ASN A 25 -8.608 5.988 30.626 1.00 2.40 H new ATOM 390 N ASP A 26 -5.456 2.055 27.438 1.00 51.11 N ATOM 391 CA ASP A 26 -5.744 1.260 26.250 1.00 44.04 C ATOM 392 C ASP A 26 -4.998 -0.070 26.292 1.00 20.23 C ATOM 393 O ASP A 26 -5.607 -1.138 26.216 1.00 4.33 O ATOM 394 CB ASP A 26 -5.360 2.034 24.987 1.00 20.42 C ATOM 395 CG ASP A 26 -6.196 3.284 24.798 1.00 3.32 C ATOM 396 OD1 ASP A 26 -7.002 3.601 25.698 1.00 73.11 O ATOM 397 OD2 ASP A 26 -6.043 3.947 23.751 1.00 23.02 O ATOM 0 H ASP A 26 -4.501 2.411 27.486 1.00 51.11 H new ATOM 0 HA ASP A 26 -6.814 1.055 26.231 1.00 44.04 H new ATOM 0 HB2 ASP A 26 -4.307 2.309 25.039 1.00 20.42 H new ATOM 0 HB3 ASP A 26 -5.478 1.387 24.118 1.00 20.42 H new ATOM 402 N PHE A 27 -3.677 0.002 26.413 1.00 25.34 N ATOM 403 CA PHE A 27 -2.847 -1.197 26.464 1.00 12.31 C ATOM 404 C PHE A 27 -3.243 -2.082 27.642 1.00 25.40 C ATOM 405 O PHE A 27 -3.195 -3.310 27.555 1.00 52.42 O ATOM 406 CB PHE A 27 -1.369 -0.816 26.571 1.00 12.44 C ATOM 407 CG PHE A 27 -0.769 -1.115 27.915 1.00 30.13 C ATOM 408 CD1 PHE A 27 -0.929 -0.234 28.972 1.00 15.14 C ATOM 409 CD2 PHE A 27 -0.044 -2.278 28.121 1.00 2.33 C ATOM 410 CE1 PHE A 27 -0.379 -0.507 30.211 1.00 42.35 C ATOM 411 CE2 PHE A 27 0.509 -2.556 29.357 1.00 13.01 C ATOM 412 CZ PHE A 27 0.342 -1.669 30.403 1.00 42.13 C ATOM 0 H PHE A 27 -3.158 0.877 26.478 1.00 25.34 H new ATOM 0 HA PHE A 27 -3.004 -1.757 25.542 1.00 12.31 H new ATOM 0 HB2 PHE A 27 -0.808 -1.350 25.804 1.00 12.44 H new ATOM 0 HB3 PHE A 27 -1.260 0.248 26.362 1.00 12.44 H new ATOM 0 HD1 PHE A 27 -1.490 0.677 28.827 1.00 15.14 H new ATOM 0 HD2 PHE A 27 0.090 -2.975 27.307 1.00 2.33 H new ATOM 0 HE1 PHE A 27 -0.513 0.187 31.027 1.00 42.35 H new ATOM 0 HE2 PHE A 27 1.071 -3.466 29.505 1.00 13.01 H new ATOM 0 HZ PHE A 27 0.775 -1.884 31.369 1.00 42.13 H new ATOM 422 N LYS A 28 -3.632 -1.451 28.744 1.00 32.14 N ATOM 423 CA LYS A 28 -4.037 -2.179 29.941 1.00 21.21 C ATOM 424 C LYS A 28 -5.355 -2.912 29.712 1.00 10.15 C ATOM 425 O LYS A 28 -5.521 -4.058 30.131 1.00 51.04 O ATOM 426 CB LYS A 28 -4.173 -1.219 31.125 1.00 33.52 C ATOM 427 CG LYS A 28 -4.794 -1.857 32.356 1.00 3.14 C ATOM 428 CD LYS A 28 -4.834 -0.887 33.526 1.00 73.52 C ATOM 429 CE LYS A 28 -5.739 -1.394 34.638 1.00 13.24 C ATOM 430 NZ LYS A 28 -5.620 -0.566 35.871 1.00 70.05 N ATOM 0 H LYS A 28 -3.676 -0.436 28.833 1.00 32.14 H new ATOM 0 HA LYS A 28 -3.266 -2.916 30.166 1.00 21.21 H new ATOM 0 HB2 LYS A 28 -3.187 -0.833 31.384 1.00 33.52 H new ATOM 0 HB3 LYS A 28 -4.780 -0.366 30.823 1.00 33.52 H new ATOM 0 HG2 LYS A 28 -5.805 -2.190 32.123 1.00 3.14 H new ATOM 0 HG3 LYS A 28 -4.223 -2.742 32.635 1.00 3.14 H new ATOM 0 HD2 LYS A 28 -3.826 -0.741 33.914 1.00 73.52 H new ATOM 0 HD3 LYS A 28 -5.187 0.085 33.182 1.00 73.52 H new ATOM 0 HE2 LYS A 28 -6.774 -1.388 34.295 1.00 13.24 H new ATOM 0 HE3 LYS A 28 -5.485 -2.429 34.869 1.00 13.24 H new ATOM 0 HZ1 LYS A 28 -6.252 -0.944 36.605 1.00 70.05 H new ATOM 0 HZ2 LYS A 28 -4.638 -0.592 36.213 1.00 70.05 H new ATOM 0 HZ3 LYS A 28 -5.886 0.416 35.657 1.00 70.05 H new ATOM 444 N LYS A 29 -6.290 -2.244 29.045 1.00 61.10 N ATOM 445 CA LYS A 29 -7.593 -2.832 28.758 1.00 41.04 C ATOM 446 C LYS A 29 -7.443 -4.124 27.961 1.00 51.13 C ATOM 447 O LYS A 29 -8.106 -5.122 28.247 1.00 63.14 O ATOM 448 CB LYS A 29 -8.463 -1.840 27.982 1.00 31.15 C ATOM 449 CG LYS A 29 -9.657 -1.331 28.772 1.00 25.43 C ATOM 450 CD LYS A 29 -9.226 -0.681 30.076 1.00 0.41 C ATOM 451 CE LYS A 29 -10.198 0.408 30.503 1.00 15.04 C ATOM 452 NZ LYS A 29 -10.262 1.516 29.511 1.00 41.14 N ATOM 0 H LYS A 29 -6.169 -1.294 28.693 1.00 61.10 H new ATOM 0 HA LYS A 29 -8.076 -3.065 29.707 1.00 41.04 H new ATOM 0 HB2 LYS A 29 -7.850 -0.991 27.679 1.00 31.15 H new ATOM 0 HB3 LYS A 29 -8.819 -2.318 27.069 1.00 31.15 H new ATOM 0 HG2 LYS A 29 -10.212 -0.610 28.171 1.00 25.43 H new ATOM 0 HG3 LYS A 29 -10.334 -2.158 28.983 1.00 25.43 H new ATOM 0 HD2 LYS A 29 -9.160 -1.438 30.857 1.00 0.41 H new ATOM 0 HD3 LYS A 29 -8.229 -0.256 29.960 1.00 0.41 H new ATOM 0 HE2 LYS A 29 -11.191 -0.022 30.631 1.00 15.04 H new ATOM 0 HE3 LYS A 29 -9.895 0.805 31.472 1.00 15.04 H new ATOM 0 HZ1 LYS A 29 -10.518 2.401 29.995 1.00 41.14 H new ATOM 0 HZ2 LYS A 29 -9.334 1.627 29.054 1.00 41.14 H new ATOM 0 HZ3 LYS A 29 -10.979 1.296 28.790 1.00 41.14 H new ATOM 466 N LEU A 30 -6.568 -4.099 26.961 1.00 31.04 N ATOM 467 CA LEU A 30 -6.330 -5.269 26.124 1.00 60.43 C ATOM 468 C LEU A 30 -5.623 -6.368 26.911 1.00 45.30 C ATOM 469 O LEU A 30 -6.093 -7.504 26.974 1.00 54.44 O ATOM 470 CB LEU A 30 -5.496 -4.884 24.901 1.00 65.42 C ATOM 471 CG LEU A 30 -5.500 -3.402 24.524 1.00 33.45 C ATOM 472 CD1 LEU A 30 -4.707 -3.173 23.248 1.00 64.33 C ATOM 473 CD2 LEU A 30 -6.927 -2.897 24.366 1.00 61.02 C ATOM 0 H LEU A 30 -6.012 -3.281 26.711 1.00 31.04 H new ATOM 0 HA LEU A 30 -7.296 -5.650 25.792 1.00 60.43 H new ATOM 0 HB2 LEU A 30 -4.465 -5.190 25.078 1.00 65.42 H new ATOM 0 HB3 LEU A 30 -5.856 -5.457 24.046 1.00 65.42 H new ATOM 0 HG LEU A 30 -5.023 -2.841 25.328 1.00 33.45 H new ATOM 0 HD11 LEU A 30 -4.721 -2.113 22.996 1.00 64.33 H new ATOM 0 HD12 LEU A 30 -3.677 -3.497 23.397 1.00 64.33 H new ATOM 0 HD13 LEU A 30 -5.153 -3.745 22.435 1.00 64.33 H new ATOM 0 HD21 LEU A 30 -6.912 -1.841 24.098 1.00 61.02 H new ATOM 0 HD22 LEU A 30 -7.429 -3.463 23.581 1.00 61.02 H new ATOM 0 HD23 LEU A 30 -7.464 -3.025 25.306 1.00 61.02 H new ATOM 485 N LYS A 31 -4.490 -6.021 27.513 1.00 63.13 N ATOM 486 CA LYS A 31 -3.718 -6.975 28.300 1.00 61.52 C ATOM 487 C LYS A 31 -4.568 -7.573 29.416 1.00 22.43 C ATOM 488 O LYS A 31 -4.473 -8.765 29.712 1.00 0.22 O ATOM 489 CB LYS A 31 -2.481 -6.296 28.893 1.00 35.53 C ATOM 490 CG LYS A 31 -1.235 -6.449 28.039 1.00 41.41 C ATOM 491 CD LYS A 31 -1.489 -6.027 26.601 1.00 33.14 C ATOM 492 CE LYS A 31 -0.324 -5.226 26.041 1.00 70.32 C ATOM 493 NZ LYS A 31 -0.787 -4.043 25.265 1.00 41.41 N ATOM 0 H LYS A 31 -4.086 -5.085 27.471 1.00 63.13 H new ATOM 0 HA LYS A 31 -3.400 -7.781 27.639 1.00 61.52 H new ATOM 0 HB2 LYS A 31 -2.690 -5.235 29.029 1.00 35.53 H new ATOM 0 HB3 LYS A 31 -2.287 -6.712 29.881 1.00 35.53 H new ATOM 0 HG2 LYS A 31 -0.429 -5.847 28.459 1.00 41.41 H new ATOM 0 HG3 LYS A 31 -0.903 -7.487 28.061 1.00 41.41 H new ATOM 0 HD2 LYS A 31 -1.653 -6.911 25.985 1.00 33.14 H new ATOM 0 HD3 LYS A 31 -2.400 -5.430 26.551 1.00 33.14 H new ATOM 0 HE2 LYS A 31 0.316 -4.896 26.859 1.00 70.32 H new ATOM 0 HE3 LYS A 31 0.282 -5.866 25.400 1.00 70.32 H new ATOM 0 HZ1 LYS A 31 0.032 -3.459 25.001 1.00 41.41 H new ATOM 0 HZ2 LYS A 31 -1.277 -4.362 24.405 1.00 41.41 H new ATOM 0 HZ3 LYS A 31 -1.440 -3.480 25.847 1.00 41.41 H new ATOM 507 N PHE A 32 -5.399 -6.739 30.032 1.00 32.42 N ATOM 508 CA PHE A 32 -6.267 -7.186 31.116 1.00 25.20 C ATOM 509 C PHE A 32 -7.111 -8.380 30.680 1.00 25.31 C ATOM 510 O PHE A 32 -7.262 -9.351 31.422 1.00 71.20 O ATOM 511 CB PHE A 32 -7.176 -6.044 31.573 1.00 33.14 C ATOM 512 CG PHE A 32 -8.256 -6.481 32.521 1.00 35.11 C ATOM 513 CD1 PHE A 32 -8.009 -6.571 33.881 1.00 4.43 C ATOM 514 CD2 PHE A 32 -9.520 -6.803 32.052 1.00 42.24 C ATOM 515 CE1 PHE A 32 -9.001 -6.972 34.756 1.00 5.13 C ATOM 516 CE2 PHE A 32 -10.516 -7.204 32.922 1.00 63.44 C ATOM 517 CZ PHE A 32 -10.255 -7.290 34.275 1.00 35.24 C ATOM 0 H PHE A 32 -5.490 -5.750 29.799 1.00 32.42 H new ATOM 0 HA PHE A 32 -5.636 -7.495 31.950 1.00 25.20 H new ATOM 0 HB2 PHE A 32 -6.569 -5.277 32.055 1.00 33.14 H new ATOM 0 HB3 PHE A 32 -7.636 -5.584 30.698 1.00 33.14 H new ATOM 0 HD1 PHE A 32 -7.029 -6.325 34.262 1.00 4.43 H new ATOM 0 HD2 PHE A 32 -9.729 -6.740 30.994 1.00 42.24 H new ATOM 0 HE1 PHE A 32 -8.795 -7.036 35.814 1.00 5.13 H new ATOM 0 HE2 PHE A 32 -11.497 -7.450 32.544 1.00 63.44 H new ATOM 0 HZ PHE A 32 -11.031 -7.606 34.956 1.00 35.24 H new ATOM 527 N TYR A 33 -7.658 -8.301 29.472 1.00 10.45 N ATOM 528 CA TYR A 33 -8.489 -9.372 28.938 1.00 74.51 C ATOM 529 C TYR A 33 -7.669 -10.312 28.059 1.00 2.22 C ATOM 530 O TYR A 33 -7.617 -11.519 28.299 1.00 12.10 O ATOM 531 CB TYR A 33 -9.653 -8.791 28.134 1.00 54.21 C ATOM 532 CG TYR A 33 -10.959 -9.525 28.341 1.00 62.24 C ATOM 533 CD1 TYR A 33 -11.504 -9.670 29.610 1.00 22.22 C ATOM 534 CD2 TYR A 33 -11.648 -10.073 27.265 1.00 22.35 C ATOM 535 CE1 TYR A 33 -12.696 -10.341 29.804 1.00 62.14 C ATOM 536 CE2 TYR A 33 -12.841 -10.745 27.449 1.00 12.42 C ATOM 537 CZ TYR A 33 -13.361 -10.876 28.720 1.00 22.21 C ATOM 538 OH TYR A 33 -14.549 -11.544 28.908 1.00 32.04 O ATOM 0 H TYR A 33 -7.540 -7.506 28.844 1.00 10.45 H new ATOM 0 HA TYR A 33 -8.885 -9.942 29.778 1.00 74.51 H new ATOM 0 HB2 TYR A 33 -9.787 -7.745 28.409 1.00 54.21 H new ATOM 0 HB3 TYR A 33 -9.398 -8.812 27.074 1.00 54.21 H new ATOM 0 HD1 TYR A 33 -10.987 -9.251 30.460 1.00 22.22 H new ATOM 0 HD2 TYR A 33 -11.244 -9.972 26.269 1.00 22.35 H new ATOM 0 HE1 TYR A 33 -13.105 -10.446 30.798 1.00 62.14 H new ATOM 0 HE2 TYR A 33 -13.364 -11.165 26.603 1.00 12.42 H new ATOM 0 HH TYR A 33 -14.888 -11.858 28.044 1.00 32.04 H new ATOM 548 N LEU A 34 -7.028 -9.749 27.041 1.00 60.12 N ATOM 549 CA LEU A 34 -6.208 -10.535 26.125 1.00 40.41 C ATOM 550 C LEU A 34 -5.175 -11.358 26.888 1.00 12.31 C ATOM 551 O LEU A 34 -5.127 -12.581 26.763 1.00 64.42 O ATOM 552 CB LEU A 34 -5.506 -9.617 25.123 1.00 41.33 C ATOM 553 CG LEU A 34 -5.627 -10.013 23.651 1.00 44.13 C ATOM 554 CD1 LEU A 34 -4.847 -11.289 23.376 1.00 72.51 C ATOM 555 CD2 LEU A 34 -7.088 -10.184 23.263 1.00 71.13 C ATOM 0 H LEU A 34 -7.060 -8.752 26.829 1.00 60.12 H new ATOM 0 HA LEU A 34 -6.863 -11.219 25.585 1.00 40.41 H new ATOM 0 HB2 LEU A 34 -5.906 -8.610 25.242 1.00 41.33 H new ATOM 0 HB3 LEU A 34 -4.448 -9.573 25.381 1.00 41.33 H new ATOM 0 HG LEU A 34 -5.202 -9.214 23.043 1.00 44.13 H new ATOM 0 HD11 LEU A 34 -4.945 -11.555 22.324 1.00 72.51 H new ATOM 0 HD12 LEU A 34 -3.795 -11.131 23.614 1.00 72.51 H new ATOM 0 HD13 LEU A 34 -5.241 -12.097 23.993 1.00 72.51 H new ATOM 0 HD21 LEU A 34 -7.155 -10.466 22.212 1.00 71.13 H new ATOM 0 HD22 LEU A 34 -7.539 -10.964 23.877 1.00 71.13 H new ATOM 0 HD23 LEU A 34 -7.619 -9.245 23.421 1.00 71.13 H new ATOM 567 N ARG A 35 -4.353 -10.678 27.680 1.00 4.03 N ATOM 568 CA ARG A 35 -3.321 -11.346 28.465 1.00 75.42 C ATOM 569 C ARG A 35 -3.943 -12.312 29.470 1.00 52.14 C ATOM 570 O ARG A 35 -3.415 -13.398 29.711 1.00 51.41 O ATOM 571 CB ARG A 35 -2.460 -10.316 29.197 1.00 22.22 C ATOM 572 CG ARG A 35 -0.986 -10.683 29.252 1.00 61.43 C ATOM 573 CD ARG A 35 -0.564 -11.086 30.656 1.00 4.31 C ATOM 574 NE ARG A 35 -0.795 -10.017 31.624 1.00 22.24 N ATOM 575 CZ ARG A 35 -1.232 -10.228 32.861 1.00 4.10 C ATOM 576 NH1 ARG A 35 -1.483 -11.461 33.278 1.00 61.22 N ATOM 577 NH2 ARG A 35 -1.418 -9.204 33.684 1.00 44.42 N ATOM 0 H ARG A 35 -4.381 -9.665 27.795 1.00 4.03 H new ATOM 0 HA ARG A 35 -2.691 -11.915 27.781 1.00 75.42 H new ATOM 0 HB2 ARG A 35 -2.567 -9.350 28.704 1.00 22.22 H new ATOM 0 HB3 ARG A 35 -2.835 -10.199 30.214 1.00 22.22 H new ATOM 0 HG2 ARG A 35 -0.788 -11.503 28.562 1.00 61.43 H new ATOM 0 HG3 ARG A 35 -0.386 -9.836 28.920 1.00 61.43 H new ATOM 0 HD2 ARG A 35 -1.116 -11.976 30.959 1.00 4.31 H new ATOM 0 HD3 ARG A 35 0.493 -11.352 30.655 1.00 4.31 H new ATOM 0 HE ARG A 35 -0.611 -9.056 31.335 1.00 22.24 H new ATOM 0 HH11 ARG A 35 -1.341 -12.251 32.649 1.00 61.22 H new ATOM 0 HH12 ARG A 35 -1.818 -11.620 34.228 1.00 61.22 H new ATOM 0 HH21 ARG A 35 -1.226 -8.254 33.367 1.00 44.42 H new ATOM 0 HH22 ARG A 35 -1.754 -9.367 34.633 1.00 44.42 H new ATOM 591 N ASP A 36 -5.067 -11.909 30.052 1.00 3.54 N ATOM 592 CA ASP A 36 -5.761 -12.738 31.031 1.00 41.32 C ATOM 593 C ASP A 36 -5.886 -14.175 30.534 1.00 54.40 C ATOM 594 O ASP A 36 -5.574 -15.121 31.256 1.00 4.31 O ATOM 595 CB ASP A 36 -7.148 -12.164 31.325 1.00 3.31 C ATOM 596 CG ASP A 36 -7.283 -11.682 32.756 1.00 11.11 C ATOM 597 OD1 ASP A 36 -6.246 -11.371 33.378 1.00 2.25 O ATOM 598 OD2 ASP A 36 -8.426 -11.615 33.253 1.00 34.05 O ATOM 0 H ASP A 36 -5.517 -11.013 29.863 1.00 3.54 H new ATOM 0 HA ASP A 36 -5.175 -12.740 31.950 1.00 41.32 H new ATOM 0 HB2 ASP A 36 -7.347 -11.335 30.645 1.00 3.31 H new ATOM 0 HB3 ASP A 36 -7.903 -12.926 31.128 1.00 3.31 H new ATOM 603 N MET A 37 -6.347 -14.330 29.297 1.00 12.51 N ATOM 604 CA MET A 37 -6.514 -15.651 28.704 1.00 21.31 C ATOM 605 C MET A 37 -5.234 -16.100 28.006 1.00 3.44 C ATOM 606 O MET A 37 -4.598 -17.072 28.416 1.00 10.53 O ATOM 607 CB MET A 37 -7.676 -15.644 27.709 1.00 65.45 C ATOM 608 CG MET A 37 -8.660 -16.784 27.915 1.00 23.21 C ATOM 609 SD MET A 37 -10.150 -16.605 26.916 1.00 42.03 S ATOM 610 CE MET A 37 -11.324 -17.545 27.887 1.00 33.54 C ATOM 0 H MET A 37 -6.611 -13.557 28.686 1.00 12.51 H new ATOM 0 HA MET A 37 -6.736 -16.356 29.505 1.00 21.31 H new ATOM 0 HB2 MET A 37 -8.208 -14.696 27.791 1.00 65.45 H new ATOM 0 HB3 MET A 37 -7.277 -15.698 26.696 1.00 65.45 H new ATOM 0 HG2 MET A 37 -8.173 -17.728 27.669 1.00 23.21 H new ATOM 0 HG3 MET A 37 -8.937 -16.834 28.968 1.00 23.21 H new ATOM 0 HE1 MET A 37 -12.298 -17.528 27.397 1.00 33.54 H new ATOM 0 HE2 MET A 37 -10.980 -18.576 27.976 1.00 33.54 H new ATOM 0 HE3 MET A 37 -11.410 -17.104 28.880 1.00 33.54 H new ATOM 620 N THR A 38 -4.860 -15.385 26.949 1.00 22.51 N ATOM 621 CA THR A 38 -3.657 -15.711 26.194 1.00 44.32 C ATOM 622 C THR A 38 -2.491 -16.026 27.125 1.00 75.32 C ATOM 623 O THR A 38 -1.764 -16.998 26.918 1.00 64.22 O ATOM 624 CB THR A 38 -3.252 -14.557 25.257 1.00 53.20 C ATOM 625 OG1 THR A 38 -2.953 -13.385 26.024 1.00 64.22 O ATOM 626 CG2 THR A 38 -4.365 -14.249 24.266 1.00 65.53 C ATOM 0 H THR A 38 -5.373 -14.577 26.597 1.00 22.51 H new ATOM 0 HA THR A 38 -3.889 -16.592 25.596 1.00 44.32 H new ATOM 0 HB THR A 38 -2.366 -14.864 24.701 1.00 53.20 H new ATOM 0 HG1 THR A 38 -3.688 -13.206 26.647 1.00 64.22 H new ATOM 0 HG21 THR A 38 -4.056 -13.431 23.615 1.00 65.53 H new ATOM 0 HG22 THR A 38 -4.571 -15.134 23.664 1.00 65.53 H new ATOM 0 HG23 THR A 38 -5.266 -13.961 24.808 1.00 65.53 H new ATOM 634 N LEU A 39 -2.320 -15.200 28.151 1.00 30.41 N ATOM 635 CA LEU A 39 -1.243 -15.392 29.116 1.00 64.13 C ATOM 636 C LEU A 39 -1.800 -15.732 30.494 1.00 0.43 C ATOM 637 O LEU A 39 -2.995 -15.581 30.746 1.00 55.11 O ATOM 638 CB LEU A 39 -0.376 -14.134 29.199 1.00 71.21 C ATOM 639 CG LEU A 39 0.570 -13.892 28.022 1.00 15.40 C ATOM 640 CD1 LEU A 39 -0.215 -13.502 26.779 1.00 43.13 C ATOM 641 CD2 LEU A 39 1.589 -12.817 28.370 1.00 23.01 C ATOM 0 H LEU A 39 -2.913 -14.391 28.336 1.00 30.41 H new ATOM 0 HA LEU A 39 -0.630 -16.227 28.777 1.00 64.13 H new ATOM 0 HB2 LEU A 39 -1.033 -13.270 29.295 1.00 71.21 H new ATOM 0 HB3 LEU A 39 0.218 -14.186 30.112 1.00 71.21 H new ATOM 0 HG LEU A 39 1.105 -14.818 27.814 1.00 15.40 H new ATOM 0 HD11 LEU A 39 0.474 -13.334 25.951 1.00 43.13 H new ATOM 0 HD12 LEU A 39 -0.906 -14.304 26.519 1.00 43.13 H new ATOM 0 HD13 LEU A 39 -0.777 -12.589 26.975 1.00 43.13 H new ATOM 0 HD21 LEU A 39 2.254 -12.658 27.521 1.00 23.01 H new ATOM 0 HD22 LEU A 39 1.071 -11.887 28.605 1.00 23.01 H new ATOM 0 HD23 LEU A 39 2.173 -13.135 29.234 1.00 23.01 H new ATOM 784 N GLY A 49 0.326 4.782 35.845 1.00 41.20 N ATOM 785 CA GLY A 49 1.750 5.062 35.837 1.00 40.12 C ATOM 786 C GLY A 49 2.567 3.896 35.316 1.00 1.31 C ATOM 787 O GLY A 49 3.781 4.007 35.149 1.00 41.33 O ATOM 0 HA2 GLY A 49 1.941 5.940 35.220 1.00 40.12 H new ATOM 0 HA3 GLY A 49 2.075 5.306 36.848 1.00 40.12 H new ATOM 791 N GLU A 50 1.900 2.775 35.061 1.00 50.10 N ATOM 792 CA GLU A 50 2.574 1.583 34.559 1.00 51.52 C ATOM 793 C GLU A 50 3.142 1.827 33.163 1.00 32.05 C ATOM 794 O GLU A 50 4.278 1.453 32.869 1.00 30.12 O ATOM 795 CB GLU A 50 1.607 0.398 34.528 1.00 53.30 C ATOM 796 CG GLU A 50 2.273 -0.939 34.806 1.00 41.33 C ATOM 797 CD GLU A 50 2.373 -1.809 33.568 1.00 21.01 C ATOM 798 OE1 GLU A 50 2.684 -1.269 32.486 1.00 70.11 O ATOM 799 OE2 GLU A 50 2.141 -3.031 33.682 1.00 14.24 O ATOM 0 H GLU A 50 0.894 2.667 35.194 1.00 50.10 H new ATOM 0 HA GLU A 50 3.399 1.352 35.233 1.00 51.52 H new ATOM 0 HB2 GLU A 50 0.820 0.563 35.264 1.00 53.30 H new ATOM 0 HB3 GLU A 50 1.126 0.358 33.551 1.00 53.30 H new ATOM 0 HG2 GLU A 50 3.272 -0.767 35.206 1.00 41.33 H new ATOM 0 HG3 GLU A 50 1.709 -1.469 35.574 1.00 41.33 H new ATOM 806 N LEU A 51 2.344 2.456 32.308 1.00 75.52 N ATOM 807 CA LEU A 51 2.765 2.749 30.942 1.00 1.35 C ATOM 808 C LEU A 51 3.353 4.153 30.844 1.00 1.33 C ATOM 809 O LEU A 51 4.403 4.355 30.235 1.00 52.12 O ATOM 810 CB LEU A 51 1.583 2.611 29.982 1.00 71.13 C ATOM 811 CG LEU A 51 1.823 3.088 28.549 1.00 12.30 C ATOM 812 CD1 LEU A 51 1.039 2.235 27.564 1.00 40.12 C ATOM 813 CD2 LEU A 51 1.445 4.555 28.405 1.00 11.34 C ATOM 0 H LEU A 51 1.402 2.773 32.536 1.00 75.52 H new ATOM 0 HA LEU A 51 3.536 2.031 30.664 1.00 1.35 H new ATOM 0 HB2 LEU A 51 1.287 1.562 29.950 1.00 71.13 H new ATOM 0 HB3 LEU A 51 0.740 3.167 30.393 1.00 71.13 H new ATOM 0 HG LEU A 51 2.884 2.983 28.325 1.00 12.30 H new ATOM 0 HD11 LEU A 51 1.222 2.589 26.550 1.00 40.12 H new ATOM 0 HD12 LEU A 51 1.357 1.196 27.649 1.00 40.12 H new ATOM 0 HD13 LEU A 51 -0.026 2.307 27.787 1.00 40.12 H new ATOM 0 HD21 LEU A 51 1.622 4.877 27.379 1.00 11.34 H new ATOM 0 HD22 LEU A 51 0.391 4.685 28.649 1.00 11.34 H new ATOM 0 HD23 LEU A 51 2.051 5.155 29.084 1.00 11.34 H new ATOM 825 N GLU A 52 2.670 5.119 31.450 1.00 11.33 N ATOM 826 CA GLU A 52 3.126 6.504 31.432 1.00 43.13 C ATOM 827 C GLU A 52 4.334 6.691 32.345 1.00 3.21 C ATOM 828 O GLU A 52 5.379 7.180 31.918 1.00 25.40 O ATOM 829 CB GLU A 52 1.997 7.442 31.863 1.00 40.44 C ATOM 830 CG GLU A 52 2.384 8.912 31.839 1.00 70.51 C ATOM 831 CD GLU A 52 2.514 9.458 30.430 1.00 30.04 C ATOM 832 OE1 GLU A 52 3.552 9.197 29.787 1.00 70.31 O ATOM 833 OE2 GLU A 52 1.579 10.147 29.972 1.00 73.41 O ATOM 0 H GLU A 52 1.799 4.968 31.959 1.00 11.33 H new ATOM 0 HA GLU A 52 3.422 6.749 30.412 1.00 43.13 H new ATOM 0 HB2 GLU A 52 1.140 7.290 31.207 1.00 40.44 H new ATOM 0 HB3 GLU A 52 1.679 7.175 32.871 1.00 40.44 H new ATOM 0 HG2 GLU A 52 1.635 9.490 32.381 1.00 70.51 H new ATOM 0 HG3 GLU A 52 3.330 9.043 32.364 1.00 70.51 H new ATOM 840 N GLY A 53 4.182 6.299 33.606 1.00 34.15 N ATOM 841 CA GLY A 53 5.267 6.432 34.561 1.00 35.21 C ATOM 842 C GLY A 53 6.487 5.623 34.169 1.00 74.45 C ATOM 843 O GLY A 53 7.578 6.170 34.006 1.00 21.01 O ATOM 0 H GLY A 53 3.327 5.892 33.984 1.00 34.15 H new ATOM 0 HA2 GLY A 53 5.544 7.483 34.647 1.00 35.21 H new ATOM 0 HA3 GLY A 53 4.923 6.111 35.544 1.00 35.21 H new ATOM 847 N LEU A 54 6.304 4.316 34.017 1.00 31.40 N ATOM 848 CA LEU A 54 7.400 3.428 33.643 1.00 54.25 C ATOM 849 C LEU A 54 7.734 3.571 32.161 1.00 3.43 C ATOM 850 O LEU A 54 7.269 4.498 31.497 1.00 62.23 O ATOM 851 CB LEU A 54 7.036 1.976 33.957 1.00 60.02 C ATOM 852 CG LEU A 54 6.177 1.754 35.202 1.00 20.42 C ATOM 853 CD1 LEU A 54 6.006 0.267 35.474 1.00 4.15 C ATOM 854 CD2 LEU A 54 6.793 2.451 36.406 1.00 12.03 C ATOM 0 H LEU A 54 5.407 3.847 34.147 1.00 31.40 H new ATOM 0 HA LEU A 54 8.278 3.710 34.224 1.00 54.25 H new ATOM 0 HB2 LEU A 54 6.509 1.560 33.098 1.00 60.02 H new ATOM 0 HB3 LEU A 54 7.959 1.407 34.071 1.00 60.02 H new ATOM 0 HG LEU A 54 5.192 2.185 35.022 1.00 20.42 H new ATOM 0 HD11 LEU A 54 5.392 0.128 36.364 1.00 4.15 H new ATOM 0 HD12 LEU A 54 5.520 -0.206 34.620 1.00 4.15 H new ATOM 0 HD13 LEU A 54 6.983 -0.189 35.633 1.00 4.15 H new ATOM 0 HD21 LEU A 54 6.168 2.282 37.283 1.00 12.03 H new ATOM 0 HD22 LEU A 54 7.790 2.050 36.588 1.00 12.03 H new ATOM 0 HD23 LEU A 54 6.863 3.521 36.211 1.00 12.03 H new ATOM 866 N ILE A 55 8.541 2.648 31.650 1.00 24.35 N ATOM 867 CA ILE A 55 8.935 2.670 30.247 1.00 20.42 C ATOM 868 C ILE A 55 8.540 1.375 29.545 1.00 15.10 C ATOM 869 O ILE A 55 8.316 0.341 30.175 1.00 15.32 O ATOM 870 CB ILE A 55 10.452 2.882 30.091 1.00 5.04 C ATOM 871 CG1 ILE A 55 11.221 1.877 30.952 1.00 41.11 C ATOM 872 CG2 ILE A 55 10.829 4.307 30.468 1.00 42.22 C ATOM 873 CD1 ILE A 55 12.703 2.168 31.042 1.00 32.14 C ATOM 0 H ILE A 55 8.935 1.875 32.187 1.00 24.35 H new ATOM 0 HA ILE A 55 8.410 3.506 29.785 1.00 20.42 H new ATOM 0 HB ILE A 55 10.721 2.719 29.047 1.00 5.04 H new ATOM 0 HG12 ILE A 55 10.798 1.873 31.957 1.00 41.11 H new ATOM 0 HG13 ILE A 55 11.080 0.877 30.543 1.00 41.11 H new ATOM 0 HG21 ILE A 55 11.905 4.441 30.353 1.00 42.22 H new ATOM 0 HG22 ILE A 55 10.304 5.006 29.817 1.00 42.22 H new ATOM 0 HG23 ILE A 55 10.549 4.495 31.504 1.00 42.22 H new ATOM 0 HD11 ILE A 55 13.184 1.416 31.667 1.00 32.14 H new ATOM 0 HD12 ILE A 55 13.140 2.143 30.044 1.00 32.14 H new ATOM 0 HD13 ILE A 55 12.854 3.155 31.480 1.00 32.14 H new ATOM 885 N PRO A 56 8.453 1.430 28.208 1.00 72.03 N ATOM 886 CA PRO A 56 8.087 0.270 27.390 1.00 74.21 C ATOM 887 C PRO A 56 9.178 -0.795 27.373 1.00 33.32 C ATOM 888 O PRO A 56 8.891 -1.992 27.397 1.00 21.35 O ATOM 889 CB PRO A 56 7.900 0.866 25.992 1.00 33.24 C ATOM 890 CG PRO A 56 8.746 2.092 25.987 1.00 62.40 C ATOM 891 CD PRO A 56 8.706 2.629 27.391 1.00 70.21 C ATOM 0 HA PRO A 56 7.202 -0.236 27.774 1.00 74.21 H new ATOM 0 HB2 PRO A 56 8.213 0.166 25.218 1.00 33.24 H new ATOM 0 HB3 PRO A 56 6.854 1.106 25.800 1.00 33.24 H new ATOM 0 HG2 PRO A 56 9.768 1.860 25.687 1.00 62.40 H new ATOM 0 HG3 PRO A 56 8.365 2.826 25.277 1.00 62.40 H new ATOM 0 HD2 PRO A 56 9.645 3.110 27.664 1.00 70.21 H new ATOM 0 HD3 PRO A 56 7.919 3.373 27.514 1.00 70.21 H new ATOM 899 N VAL A 57 10.430 -0.352 27.332 1.00 23.21 N ATOM 900 CA VAL A 57 11.565 -1.268 27.314 1.00 52.21 C ATOM 901 C VAL A 57 11.645 -2.069 28.608 1.00 22.04 C ATOM 902 O VAL A 57 12.304 -3.107 28.668 1.00 71.51 O ATOM 903 CB VAL A 57 12.892 -0.513 27.107 1.00 74.43 C ATOM 904 CG1 VAL A 57 14.061 -1.486 27.080 1.00 74.21 C ATOM 905 CG2 VAL A 57 12.842 0.309 25.828 1.00 63.01 C ATOM 0 H VAL A 57 10.685 0.635 27.311 1.00 23.21 H new ATOM 0 HA VAL A 57 11.409 -1.949 26.478 1.00 52.21 H new ATOM 0 HB VAL A 57 13.037 0.169 27.945 1.00 74.43 H new ATOM 0 HG11 VAL A 57 14.990 -0.935 26.933 1.00 74.21 H new ATOM 0 HG12 VAL A 57 14.106 -2.027 28.025 1.00 74.21 H new ATOM 0 HG13 VAL A 57 13.926 -2.194 26.263 1.00 74.21 H new ATOM 0 HG21 VAL A 57 13.787 0.836 25.697 1.00 63.01 H new ATOM 0 HG22 VAL A 57 12.674 -0.351 24.977 1.00 63.01 H new ATOM 0 HG23 VAL A 57 12.029 1.032 25.892 1.00 63.01 H new ATOM 915 N ASP A 58 10.970 -1.580 29.643 1.00 65.10 N ATOM 916 CA ASP A 58 10.964 -2.251 30.938 1.00 72.44 C ATOM 917 C ASP A 58 9.754 -3.171 31.067 1.00 75.14 C ATOM 918 O ASP A 58 9.896 -4.381 31.252 1.00 43.54 O ATOM 919 CB ASP A 58 10.961 -1.223 32.069 1.00 1.34 C ATOM 920 CG ASP A 58 12.345 -0.673 32.355 1.00 13.31 C ATOM 921 OD1 ASP A 58 13.311 -1.137 31.715 1.00 0.10 O ATOM 922 OD2 ASP A 58 12.461 0.221 33.219 1.00 3.54 O ATOM 0 H ASP A 58 10.420 -0.722 29.610 1.00 65.10 H new ATOM 0 HA ASP A 58 11.868 -2.856 31.010 1.00 72.44 H new ATOM 0 HB2 ASP A 58 10.294 -0.402 31.808 1.00 1.34 H new ATOM 0 HB3 ASP A 58 10.562 -1.683 32.973 1.00 1.34 H new ATOM 927 N LEU A 59 8.563 -2.590 30.969 1.00 72.41 N ATOM 928 CA LEU A 59 7.326 -3.357 31.076 1.00 64.54 C ATOM 929 C LEU A 59 7.288 -4.475 30.038 1.00 33.02 C ATOM 930 O LEU A 59 6.785 -5.566 30.305 1.00 15.11 O ATOM 931 CB LEU A 59 6.116 -2.439 30.898 1.00 43.12 C ATOM 932 CG LEU A 59 5.204 -2.752 29.711 1.00 23.41 C ATOM 933 CD1 LEU A 59 3.823 -2.154 29.927 1.00 71.11 C ATOM 934 CD2 LEU A 59 5.816 -2.235 28.417 1.00 14.43 C ATOM 0 H LEU A 59 8.428 -1.591 30.816 1.00 72.41 H new ATOM 0 HA LEU A 59 7.290 -3.806 32.069 1.00 64.54 H new ATOM 0 HB2 LEU A 59 5.519 -2.478 31.809 1.00 43.12 H new ATOM 0 HB3 LEU A 59 6.474 -1.415 30.795 1.00 43.12 H new ATOM 0 HG LEU A 59 5.100 -3.834 29.632 1.00 23.41 H new ATOM 0 HD11 LEU A 59 3.188 -2.387 29.072 1.00 71.11 H new ATOM 0 HD12 LEU A 59 3.382 -2.573 30.831 1.00 71.11 H new ATOM 0 HD13 LEU A 59 3.907 -1.072 30.032 1.00 71.11 H new ATOM 0 HD21 LEU A 59 5.153 -2.467 27.583 1.00 14.43 H new ATOM 0 HD22 LEU A 59 5.951 -1.155 28.484 1.00 14.43 H new ATOM 0 HD23 LEU A 59 6.783 -2.712 28.256 1.00 14.43 H new ATOM 946 N ALA A 60 7.824 -4.196 28.855 1.00 44.21 N ATOM 947 CA ALA A 60 7.855 -5.179 27.779 1.00 41.30 C ATOM 948 C ALA A 60 8.668 -6.405 28.179 1.00 61.22 C ATOM 949 O ALA A 60 8.262 -7.539 27.927 1.00 51.05 O ATOM 950 CB ALA A 60 8.423 -4.557 26.512 1.00 41.41 C ATOM 0 H ALA A 60 8.243 -3.297 28.617 1.00 44.21 H new ATOM 0 HA ALA A 60 6.832 -5.501 27.585 1.00 41.30 H new ATOM 0 HB1 ALA A 60 8.440 -5.302 25.717 1.00 41.41 H new ATOM 0 HB2 ALA A 60 7.799 -3.717 26.208 1.00 41.41 H new ATOM 0 HB3 ALA A 60 9.437 -4.206 26.702 1.00 41.41 H new ATOM 956 N GLU A 61 9.818 -6.170 28.803 1.00 41.32 N ATOM 957 CA GLU A 61 10.688 -7.257 29.236 1.00 42.24 C ATOM 958 C GLU A 61 9.934 -8.232 30.135 1.00 3.24 C ATOM 959 O GLU A 61 10.203 -9.434 30.131 1.00 44.14 O ATOM 960 CB GLU A 61 11.907 -6.701 29.976 1.00 54.23 C ATOM 961 CG GLU A 61 13.178 -6.704 29.143 1.00 12.54 C ATOM 962 CD GLU A 61 14.432 -6.656 29.994 1.00 22.20 C ATOM 963 OE1 GLU A 61 14.310 -6.701 31.236 1.00 53.12 O ATOM 964 OE2 GLU A 61 15.537 -6.575 29.417 1.00 52.21 O ATOM 0 H GLU A 61 10.169 -5.237 29.020 1.00 41.32 H new ATOM 0 HA GLU A 61 11.025 -7.794 28.349 1.00 42.24 H new ATOM 0 HB2 GLU A 61 11.694 -5.681 30.295 1.00 54.23 H new ATOM 0 HB3 GLU A 61 12.073 -7.289 30.879 1.00 54.23 H new ATOM 0 HG2 GLU A 61 13.199 -7.599 28.522 1.00 12.54 H new ATOM 0 HG3 GLU A 61 13.168 -5.848 28.468 1.00 12.54 H new ATOM 971 N LEU A 62 8.989 -7.706 30.907 1.00 45.21 N ATOM 972 CA LEU A 62 8.196 -8.528 31.813 1.00 32.42 C ATOM 973 C LEU A 62 7.180 -9.364 31.041 1.00 14.04 C ATOM 974 O LEU A 62 7.025 -10.560 31.291 1.00 24.23 O ATOM 975 CB LEU A 62 7.477 -7.647 32.836 1.00 32.01 C ATOM 976 CG LEU A 62 6.581 -8.376 33.838 1.00 0.13 C ATOM 977 CD1 LEU A 62 5.230 -8.691 33.216 1.00 53.13 C ATOM 978 CD2 LEU A 62 7.255 -9.650 34.328 1.00 53.42 C ATOM 0 H LEU A 62 8.754 -6.714 30.923 1.00 45.21 H new ATOM 0 HA LEU A 62 8.872 -9.204 32.337 1.00 32.42 H new ATOM 0 HB2 LEU A 62 8.227 -7.084 33.392 1.00 32.01 H new ATOM 0 HB3 LEU A 62 6.869 -6.921 32.297 1.00 32.01 H new ATOM 0 HG LEU A 62 6.419 -7.722 34.695 1.00 0.13 H new ATOM 0 HD11 LEU A 62 4.606 -9.210 33.944 1.00 53.13 H new ATOM 0 HD12 LEU A 62 4.742 -7.763 32.916 1.00 53.13 H new ATOM 0 HD13 LEU A 62 5.371 -9.326 32.341 1.00 53.13 H new ATOM 0 HD21 LEU A 62 6.603 -10.156 35.040 1.00 53.42 H new ATOM 0 HD22 LEU A 62 7.447 -10.309 33.481 1.00 53.42 H new ATOM 0 HD23 LEU A 62 8.198 -9.399 34.814 1.00 53.42 H new ATOM 990 N LEU A 63 6.490 -8.727 30.101 1.00 31.25 N ATOM 991 CA LEU A 63 5.489 -9.412 29.290 1.00 23.13 C ATOM 992 C LEU A 63 6.127 -10.523 28.462 1.00 42.42 C ATOM 993 O LEU A 63 5.628 -11.647 28.425 1.00 74.54 O ATOM 994 CB LEU A 63 4.781 -8.416 28.370 1.00 23.11 C ATOM 995 CG LEU A 63 3.256 -8.381 28.466 1.00 13.02 C ATOM 996 CD1 LEU A 63 2.667 -9.739 28.116 1.00 4.11 C ATOM 997 CD2 LEU A 63 2.819 -7.951 29.859 1.00 32.42 C ATOM 0 H LEU A 63 6.605 -7.738 29.882 1.00 31.25 H new ATOM 0 HA LEU A 63 4.757 -9.860 29.962 1.00 23.13 H new ATOM 0 HB2 LEU A 63 5.162 -7.418 28.587 1.00 23.11 H new ATOM 0 HB3 LEU A 63 5.055 -8.645 27.340 1.00 23.11 H new ATOM 0 HG LEU A 63 2.883 -7.651 27.748 1.00 13.02 H new ATOM 0 HD11 LEU A 63 1.580 -9.694 28.190 1.00 4.11 H new ATOM 0 HD12 LEU A 63 2.951 -10.007 27.098 1.00 4.11 H new ATOM 0 HD13 LEU A 63 3.047 -10.490 28.809 1.00 4.11 H new ATOM 0 HD21 LEU A 63 1.730 -7.932 29.909 1.00 32.42 H new ATOM 0 HD22 LEU A 63 3.204 -8.657 30.595 1.00 32.42 H new ATOM 0 HD23 LEU A 63 3.210 -6.956 30.072 1.00 32.42 H new ATOM 1009 N ILE A 64 7.234 -10.200 27.801 1.00 13.50 N ATOM 1010 CA ILE A 64 7.941 -11.171 26.976 1.00 4.22 C ATOM 1011 C ILE A 64 8.503 -12.307 27.824 1.00 34.13 C ATOM 1012 O ILE A 64 8.616 -13.443 27.363 1.00 52.44 O ATOM 1013 CB ILE A 64 9.093 -10.512 26.194 1.00 71.23 C ATOM 1014 CG1 ILE A 64 10.210 -10.086 27.149 1.00 35.11 C ATOM 1015 CG2 ILE A 64 8.581 -9.318 25.403 1.00 54.22 C ATOM 1016 CD1 ILE A 64 11.396 -9.459 26.451 1.00 54.23 C ATOM 0 H ILE A 64 7.660 -9.273 27.821 1.00 13.50 H new ATOM 0 HA ILE A 64 7.215 -11.573 26.269 1.00 4.22 H new ATOM 0 HB ILE A 64 9.499 -11.241 25.493 1.00 71.23 H new ATOM 0 HG12 ILE A 64 9.808 -9.377 27.872 1.00 35.11 H new ATOM 0 HG13 ILE A 64 10.548 -10.957 27.711 1.00 35.11 H new ATOM 0 HG21 ILE A 64 9.407 -8.863 24.856 1.00 54.22 H new ATOM 0 HG22 ILE A 64 7.817 -9.648 24.699 1.00 54.22 H new ATOM 0 HG23 ILE A 64 8.152 -8.586 26.087 1.00 54.22 H new ATOM 0 HD11 ILE A 64 12.148 -9.182 27.190 1.00 54.23 H new ATOM 0 HD12 ILE A 64 11.824 -10.174 25.748 1.00 54.23 H new ATOM 0 HD13 ILE A 64 11.072 -8.569 25.912 1.00 54.23 H new ATOM 1028 N SER A 65 8.851 -11.994 29.068 1.00 1.51 N ATOM 1029 CA SER A 65 9.403 -12.988 29.981 1.00 14.21 C ATOM 1030 C SER A 65 8.304 -13.898 30.521 1.00 33.11 C ATOM 1031 O SER A 65 8.563 -15.031 30.928 1.00 41.14 O ATOM 1032 CB SER A 65 10.127 -12.300 31.140 1.00 33.54 C ATOM 1033 OG SER A 65 10.828 -13.242 31.934 1.00 34.30 O ATOM 0 H SER A 65 8.760 -11.060 29.467 1.00 1.51 H new ATOM 0 HA SER A 65 10.117 -13.598 29.427 1.00 14.21 H new ATOM 0 HB2 SER A 65 10.824 -11.559 30.749 1.00 33.54 H new ATOM 0 HB3 SER A 65 9.406 -11.765 31.757 1.00 33.54 H new ATOM 0 HG SER A 65 11.283 -12.778 32.667 1.00 34.30 H new ATOM 1039 N LYS A 66 7.074 -13.394 30.522 1.00 23.13 N ATOM 1040 CA LYS A 66 5.934 -14.160 31.010 1.00 15.25 C ATOM 1041 C LYS A 66 5.694 -15.391 30.143 1.00 34.52 C ATOM 1042 O LYS A 66 5.815 -16.524 30.610 1.00 62.42 O ATOM 1043 CB LYS A 66 4.678 -13.285 31.032 1.00 73.52 C ATOM 1044 CG LYS A 66 3.385 -14.075 30.924 1.00 72.20 C ATOM 1045 CD LYS A 66 3.301 -15.156 31.989 1.00 41.02 C ATOM 1046 CE LYS A 66 2.848 -16.484 31.401 1.00 14.50 C ATOM 1047 NZ LYS A 66 3.672 -17.620 31.897 1.00 31.21 N ATOM 0 H LYS A 66 6.842 -12.458 30.190 1.00 23.13 H new ATOM 0 HA LYS A 66 6.157 -14.491 32.024 1.00 15.25 H new ATOM 0 HB2 LYS A 66 4.664 -12.706 31.956 1.00 73.52 H new ATOM 0 HB3 LYS A 66 4.728 -12.571 30.210 1.00 73.52 H new ATOM 0 HG2 LYS A 66 2.535 -13.399 31.022 1.00 72.20 H new ATOM 0 HG3 LYS A 66 3.317 -14.530 29.936 1.00 72.20 H new ATOM 0 HD2 LYS A 66 4.276 -15.280 32.461 1.00 41.02 H new ATOM 0 HD3 LYS A 66 2.606 -14.846 32.769 1.00 41.02 H new ATOM 0 HE2 LYS A 66 1.802 -16.656 31.655 1.00 14.50 H new ATOM 0 HE3 LYS A 66 2.908 -16.439 30.314 1.00 14.50 H new ATOM 0 HZ1 LYS A 66 3.270 -18.516 31.555 1.00 31.21 H new ATOM 0 HZ2 LYS A 66 4.646 -17.521 31.546 1.00 31.21 H new ATOM 0 HZ3 LYS A 66 3.676 -17.618 32.937 1.00 31.21 H new ATOM 1061 N TYR A 67 5.354 -15.162 28.880 1.00 70.43 N ATOM 1062 CA TYR A 67 5.096 -16.254 27.948 1.00 43.34 C ATOM 1063 C TYR A 67 6.173 -16.315 26.869 1.00 44.41 C ATOM 1064 O TYR A 67 6.616 -17.394 26.477 1.00 13.23 O ATOM 1065 CB TYR A 67 3.720 -16.086 27.301 1.00 2.11 C ATOM 1066 CG TYR A 67 2.983 -17.390 27.100 1.00 74.40 C ATOM 1067 CD1 TYR A 67 3.479 -18.368 26.246 1.00 1.34 C ATOM 1068 CD2 TYR A 67 1.789 -17.646 27.765 1.00 44.14 C ATOM 1069 CE1 TYR A 67 2.808 -19.561 26.059 1.00 0.52 C ATOM 1070 CE2 TYR A 67 1.112 -18.836 27.585 1.00 62.54 C ATOM 1071 CZ TYR A 67 1.625 -19.790 26.731 1.00 62.45 C ATOM 1072 OH TYR A 67 0.954 -20.978 26.548 1.00 45.12 O ATOM 0 H TYR A 67 5.250 -14.230 28.478 1.00 70.43 H new ATOM 0 HA TYR A 67 5.115 -17.188 28.509 1.00 43.34 H new ATOM 0 HB2 TYR A 67 3.113 -15.427 27.923 1.00 2.11 H new ATOM 0 HB3 TYR A 67 3.839 -15.593 26.336 1.00 2.11 H new ATOM 0 HD1 TYR A 67 4.405 -18.192 25.719 1.00 1.34 H new ATOM 0 HD2 TYR A 67 1.384 -16.901 28.434 1.00 44.14 H new ATOM 0 HE1 TYR A 67 3.207 -20.310 25.391 1.00 0.52 H new ATOM 0 HE2 TYR A 67 0.186 -19.019 28.110 1.00 62.54 H new ATOM 0 HH TYR A 67 0.140 -20.982 27.094 1.00 45.12 H new ATOM 1082 N GLY A 68 6.592 -15.146 26.393 1.00 51.22 N ATOM 1083 CA GLY A 68 7.614 -15.087 25.364 1.00 1.23 C ATOM 1084 C GLY A 68 7.490 -13.852 24.494 1.00 61.02 C ATOM 1085 O GLY A 68 6.386 -13.370 24.244 1.00 71.35 O ATOM 0 H GLY A 68 6.242 -14.239 26.702 1.00 51.22 H new ATOM 0 HA2 GLY A 68 8.598 -15.100 25.832 1.00 1.23 H new ATOM 0 HA3 GLY A 68 7.547 -15.977 24.738 1.00 1.23 H new ATOM 1089 N GLU A 69 8.626 -13.338 24.033 1.00 23.11 N ATOM 1090 CA GLU A 69 8.639 -12.150 23.188 1.00 40.02 C ATOM 1091 C GLU A 69 7.757 -12.347 21.958 1.00 33.45 C ATOM 1092 O GLU A 69 7.263 -11.383 21.373 1.00 61.42 O ATOM 1093 CB GLU A 69 10.069 -11.820 22.755 1.00 21.10 C ATOM 1094 CG GLU A 69 10.855 -13.030 22.277 1.00 12.23 C ATOM 1095 CD GLU A 69 11.907 -12.672 21.246 1.00 5.43 C ATOM 1096 OE1 GLU A 69 12.140 -11.464 21.030 1.00 23.10 O ATOM 1097 OE2 GLU A 69 12.499 -13.600 20.656 1.00 53.01 O ATOM 0 H GLU A 69 9.549 -13.726 24.230 1.00 23.11 H new ATOM 0 HA GLU A 69 8.242 -11.318 23.770 1.00 40.02 H new ATOM 0 HB2 GLU A 69 10.036 -11.080 21.956 1.00 21.10 H new ATOM 0 HB3 GLU A 69 10.596 -11.362 23.592 1.00 21.10 H new ATOM 0 HG2 GLU A 69 11.336 -13.507 23.131 1.00 12.23 H new ATOM 0 HG3 GLU A 69 10.167 -13.760 21.850 1.00 12.23 H new ATOM 1104 N LYS A 70 7.563 -13.604 21.572 1.00 10.23 N ATOM 1105 CA LYS A 70 6.740 -13.930 20.414 1.00 63.44 C ATOM 1106 C LYS A 70 5.293 -13.502 20.635 1.00 3.15 C ATOM 1107 O LYS A 70 4.884 -12.424 20.207 1.00 52.32 O ATOM 1108 CB LYS A 70 6.800 -15.433 20.127 1.00 42.51 C ATOM 1109 CG LYS A 70 7.753 -15.799 19.002 1.00 74.50 C ATOM 1110 CD LYS A 70 9.201 -15.568 19.400 1.00 73.04 C ATOM 1111 CE LYS A 70 9.681 -14.189 18.976 1.00 44.51 C ATOM 1112 NZ LYS A 70 10.798 -14.268 17.994 1.00 40.32 N ATOM 0 H LYS A 70 7.965 -14.414 22.045 1.00 10.23 H new ATOM 0 HA LYS A 70 7.134 -13.385 19.556 1.00 63.44 H new ATOM 0 HB2 LYS A 70 7.104 -15.956 21.034 1.00 42.51 H new ATOM 0 HB3 LYS A 70 5.800 -15.787 19.875 1.00 42.51 H new ATOM 0 HG2 LYS A 70 7.612 -16.845 18.730 1.00 74.50 H new ATOM 0 HG3 LYS A 70 7.519 -15.206 18.118 1.00 74.50 H new ATOM 0 HD2 LYS A 70 9.304 -15.674 20.480 1.00 73.04 H new ATOM 0 HD3 LYS A 70 9.831 -16.331 18.943 1.00 73.04 H new ATOM 0 HE2 LYS A 70 8.851 -13.634 18.538 1.00 44.51 H new ATOM 0 HE3 LYS A 70 10.008 -13.632 19.854 1.00 44.51 H new ATOM 0 HZ1 LYS A 70 11.097 -13.307 17.730 1.00 40.32 H new ATOM 0 HZ2 LYS A 70 11.600 -14.775 18.420 1.00 40.32 H new ATOM 0 HZ3 LYS A 70 10.479 -14.777 17.145 1.00 40.32 H new ATOM 1126 N GLU A 71 4.525 -14.353 21.309 1.00 43.12 N ATOM 1127 CA GLU A 71 3.124 -14.060 21.587 1.00 23.24 C ATOM 1128 C GLU A 71 2.969 -12.666 22.188 1.00 54.14 C ATOM 1129 O GLU A 71 1.923 -12.033 22.050 1.00 55.42 O ATOM 1130 CB GLU A 71 2.542 -15.106 22.541 1.00 53.32 C ATOM 1131 CG GLU A 71 1.087 -14.857 22.901 1.00 13.04 C ATOM 1132 CD GLU A 71 0.379 -16.113 23.371 1.00 61.20 C ATOM 1133 OE1 GLU A 71 0.337 -17.093 22.598 1.00 33.52 O ATOM 1134 OE2 GLU A 71 -0.132 -16.116 24.510 1.00 32.21 O ATOM 0 H GLU A 71 4.849 -15.249 21.672 1.00 43.12 H new ATOM 0 HA GLU A 71 2.578 -14.093 20.644 1.00 23.24 H new ATOM 0 HB2 GLU A 71 2.631 -16.092 22.084 1.00 53.32 H new ATOM 0 HB3 GLU A 71 3.136 -15.123 23.455 1.00 53.32 H new ATOM 0 HG2 GLU A 71 1.035 -14.100 23.684 1.00 13.04 H new ATOM 0 HG3 GLU A 71 0.566 -14.454 22.033 1.00 13.04 H new ATOM 1141 N ALA A 72 4.017 -12.195 22.855 1.00 42.25 N ATOM 1142 CA ALA A 72 3.998 -10.876 23.475 1.00 44.24 C ATOM 1143 C ALA A 72 3.503 -9.816 22.496 1.00 34.34 C ATOM 1144 O ALA A 72 2.465 -9.191 22.716 1.00 72.42 O ATOM 1145 CB ALA A 72 5.384 -10.515 23.989 1.00 10.32 C ATOM 0 H ALA A 72 4.890 -12.707 22.980 1.00 42.25 H new ATOM 0 HA ALA A 72 3.306 -10.907 24.317 1.00 44.24 H new ATOM 0 HB1 ALA A 72 5.355 -9.528 24.450 1.00 10.32 H new ATOM 0 HB2 ALA A 72 5.701 -11.251 24.728 1.00 10.32 H new ATOM 0 HB3 ALA A 72 6.090 -10.508 23.158 1.00 10.32 H new ATOM 1151 N VAL A 73 4.251 -9.618 21.416 1.00 24.21 N ATOM 1152 CA VAL A 73 3.888 -8.634 20.404 1.00 75.13 C ATOM 1153 C VAL A 73 2.503 -8.920 19.832 1.00 3.42 C ATOM 1154 O VAL A 73 1.730 -8.001 19.559 1.00 22.05 O ATOM 1155 CB VAL A 73 4.911 -8.608 19.253 1.00 72.33 C ATOM 1156 CG1 VAL A 73 4.249 -8.156 17.960 1.00 43.50 C ATOM 1157 CG2 VAL A 73 6.085 -7.707 19.604 1.00 30.44 C ATOM 0 H VAL A 73 5.113 -10.127 21.219 1.00 24.21 H new ATOM 0 HA VAL A 73 3.882 -7.661 20.896 1.00 75.13 H new ATOM 0 HB VAL A 73 5.290 -9.619 19.104 1.00 72.33 H new ATOM 0 HG11 VAL A 73 4.987 -8.144 17.158 1.00 43.50 H new ATOM 0 HG12 VAL A 73 3.445 -8.845 17.703 1.00 43.50 H new ATOM 0 HG13 VAL A 73 3.840 -7.154 18.092 1.00 43.50 H new ATOM 0 HG21 VAL A 73 6.798 -7.701 18.780 1.00 30.44 H new ATOM 0 HG22 VAL A 73 5.726 -6.693 19.781 1.00 30.44 H new ATOM 0 HG23 VAL A 73 6.574 -8.081 20.504 1.00 30.44 H new ATOM 1167 N LYS A 74 2.196 -10.200 19.653 1.00 13.33 N ATOM 1168 CA LYS A 74 0.904 -10.609 19.116 1.00 54.22 C ATOM 1169 C LYS A 74 -0.231 -10.184 20.043 1.00 24.22 C ATOM 1170 O LYS A 74 -1.264 -9.692 19.591 1.00 14.10 O ATOM 1171 CB LYS A 74 0.870 -12.125 18.912 1.00 34.23 C ATOM 1172 CG LYS A 74 1.913 -12.631 17.931 1.00 11.30 C ATOM 1173 CD LYS A 74 2.135 -14.127 18.075 1.00 73.14 C ATOM 1174 CE LYS A 74 1.689 -14.879 16.830 1.00 41.55 C ATOM 1175 NZ LYS A 74 2.089 -16.312 16.874 1.00 32.33 N ATOM 0 H LYS A 74 2.825 -10.973 19.872 1.00 13.33 H new ATOM 0 HA LYS A 74 0.767 -10.116 18.154 1.00 54.22 H new ATOM 0 HB2 LYS A 74 1.020 -12.616 19.874 1.00 34.23 H new ATOM 0 HB3 LYS A 74 -0.120 -12.413 18.558 1.00 34.23 H new ATOM 0 HG2 LYS A 74 1.596 -12.406 16.913 1.00 11.30 H new ATOM 0 HG3 LYS A 74 2.854 -12.105 18.095 1.00 11.30 H new ATOM 0 HD2 LYS A 74 3.191 -14.323 18.261 1.00 73.14 H new ATOM 0 HD3 LYS A 74 1.585 -14.496 18.941 1.00 73.14 H new ATOM 0 HE2 LYS A 74 0.606 -14.807 16.731 1.00 41.55 H new ATOM 0 HE3 LYS A 74 2.122 -14.408 15.947 1.00 41.55 H new ATOM 0 HZ1 LYS A 74 1.767 -16.789 16.008 1.00 32.33 H new ATOM 0 HZ2 LYS A 74 3.124 -16.381 16.943 1.00 32.33 H new ATOM 0 HZ3 LYS A 74 1.656 -16.768 17.702 1.00 32.33 H new ATOM 1189 N VAL A 75 -0.030 -10.377 21.343 1.00 4.40 N ATOM 1190 CA VAL A 75 -1.034 -10.011 22.334 1.00 34.13 C ATOM 1191 C VAL A 75 -1.322 -8.514 22.300 1.00 64.25 C ATOM 1192 O VAL A 75 -2.376 -8.063 22.746 1.00 55.12 O ATOM 1193 CB VAL A 75 -0.590 -10.405 23.756 1.00 41.55 C ATOM 1194 CG1 VAL A 75 -0.013 -9.202 24.487 1.00 53.10 C ATOM 1195 CG2 VAL A 75 -1.754 -11.003 24.531 1.00 41.31 C ATOM 0 H VAL A 75 0.819 -10.785 21.734 1.00 4.40 H new ATOM 0 HA VAL A 75 -1.942 -10.558 22.080 1.00 34.13 H new ATOM 0 HB VAL A 75 0.191 -11.162 23.678 1.00 41.55 H new ATOM 0 HG11 VAL A 75 0.295 -9.499 25.489 1.00 53.10 H new ATOM 0 HG12 VAL A 75 0.850 -8.823 23.939 1.00 53.10 H new ATOM 0 HG13 VAL A 75 -0.770 -8.421 24.557 1.00 53.10 H new ATOM 0 HG21 VAL A 75 -1.422 -11.275 25.533 1.00 41.31 H new ATOM 0 HG22 VAL A 75 -2.558 -10.271 24.602 1.00 41.31 H new ATOM 0 HG23 VAL A 75 -2.117 -11.892 24.015 1.00 41.31 H new ATOM 1205 N VAL A 76 -0.376 -7.748 21.766 1.00 44.13 N ATOM 1206 CA VAL A 76 -0.527 -6.301 21.671 1.00 51.13 C ATOM 1207 C VAL A 76 -1.399 -5.917 20.480 1.00 5.42 C ATOM 1208 O VAL A 76 -2.377 -5.182 20.624 1.00 21.23 O ATOM 1209 CB VAL A 76 0.839 -5.601 21.540 1.00 13.03 C ATOM 1210 CG1 VAL A 76 0.706 -4.315 20.739 1.00 74.24 C ATOM 1211 CG2 VAL A 76 1.428 -5.323 22.915 1.00 31.21 C ATOM 0 H VAL A 76 0.503 -8.106 21.393 1.00 44.13 H new ATOM 0 HA VAL A 76 -1.008 -5.972 22.592 1.00 51.13 H new ATOM 0 HB VAL A 76 1.518 -6.265 21.005 1.00 13.03 H new ATOM 0 HG11 VAL A 76 1.681 -3.835 20.657 1.00 74.24 H new ATOM 0 HG12 VAL A 76 0.330 -4.545 19.742 1.00 74.24 H new ATOM 0 HG13 VAL A 76 0.012 -3.643 21.243 1.00 74.24 H new ATOM 0 HG21 VAL A 76 2.393 -4.828 22.804 1.00 31.21 H new ATOM 0 HG22 VAL A 76 0.752 -4.678 23.477 1.00 31.21 H new ATOM 0 HG23 VAL A 76 1.562 -6.263 23.450 1.00 31.21 H new ATOM 1221 N LEU A 77 -1.038 -6.418 19.304 1.00 1.31 N ATOM 1222 CA LEU A 77 -1.787 -6.128 18.087 1.00 54.35 C ATOM 1223 C LEU A 77 -3.158 -6.795 18.119 1.00 35.21 C ATOM 1224 O LEU A 77 -4.176 -6.162 17.836 1.00 32.55 O ATOM 1225 CB LEU A 77 -1.007 -6.600 16.859 1.00 64.02 C ATOM 1226 CG LEU A 77 -0.412 -8.006 16.942 1.00 60.33 C ATOM 1227 CD1 LEU A 77 -1.204 -8.973 16.075 1.00 13.22 C ATOM 1228 CD2 LEU A 77 1.052 -7.992 16.526 1.00 12.31 C ATOM 0 H LEU A 77 -0.231 -7.027 19.168 1.00 1.31 H new ATOM 0 HA LEU A 77 -1.929 -5.049 18.027 1.00 54.35 H new ATOM 0 HB2 LEU A 77 -1.669 -6.558 15.994 1.00 64.02 H new ATOM 0 HB3 LEU A 77 -0.197 -5.895 16.675 1.00 64.02 H new ATOM 0 HG LEU A 77 -0.472 -8.344 17.977 1.00 60.33 H new ATOM 0 HD11 LEU A 77 -0.766 -9.968 16.147 1.00 13.22 H new ATOM 0 HD12 LEU A 77 -2.238 -9.006 16.418 1.00 13.22 H new ATOM 0 HD13 LEU A 77 -1.176 -8.638 15.038 1.00 13.22 H new ATOM 0 HD21 LEU A 77 1.459 -9.001 16.591 1.00 12.31 H new ATOM 0 HD22 LEU A 77 1.135 -7.633 15.500 1.00 12.31 H new ATOM 0 HD23 LEU A 77 1.612 -7.332 17.188 1.00 12.31 H new ATOM 1240 N LYS A 78 -3.179 -8.077 18.468 1.00 65.12 N ATOM 1241 CA LYS A 78 -4.424 -8.831 18.542 1.00 73.14 C ATOM 1242 C LYS A 78 -5.457 -8.095 19.390 1.00 45.14 C ATOM 1243 O LYS A 78 -6.640 -8.065 19.057 1.00 75.32 O ATOM 1244 CB LYS A 78 -4.169 -10.223 19.125 1.00 45.33 C ATOM 1245 CG LYS A 78 -5.184 -11.263 18.685 1.00 52.24 C ATOM 1246 CD LYS A 78 -5.952 -11.828 19.868 1.00 61.13 C ATOM 1247 CE LYS A 78 -7.246 -11.066 20.108 1.00 72.13 C ATOM 1248 NZ LYS A 78 -8.231 -11.286 19.012 1.00 5.21 N ATOM 0 H LYS A 78 -2.346 -8.616 18.704 1.00 65.12 H new ATOM 0 HA LYS A 78 -4.817 -8.934 17.530 1.00 73.14 H new ATOM 0 HB2 LYS A 78 -3.173 -10.553 18.832 1.00 45.33 H new ATOM 0 HB3 LYS A 78 -4.176 -10.159 20.213 1.00 45.33 H new ATOM 0 HG2 LYS A 78 -5.882 -10.815 17.977 1.00 52.24 H new ATOM 0 HG3 LYS A 78 -4.674 -12.072 18.161 1.00 52.24 H new ATOM 0 HD2 LYS A 78 -6.176 -12.880 19.689 1.00 61.13 H new ATOM 0 HD3 LYS A 78 -5.330 -11.782 20.762 1.00 61.13 H new ATOM 0 HE2 LYS A 78 -7.682 -11.380 21.056 1.00 72.13 H new ATOM 0 HE3 LYS A 78 -7.030 -10.001 20.194 1.00 72.13 H new ATOM 0 HZ1 LYS A 78 -9.191 -11.098 19.365 1.00 5.21 H new ATOM 0 HZ2 LYS A 78 -8.021 -10.643 18.222 1.00 5.21 H new ATOM 0 HZ3 LYS A 78 -8.170 -12.271 18.683 1.00 5.21 H new ATOM 1262 N GLY A 79 -4.999 -7.500 20.487 1.00 3.11 N ATOM 1263 CA GLY A 79 -5.895 -6.771 21.365 1.00 54.44 C ATOM 1264 C GLY A 79 -6.082 -5.329 20.934 1.00 34.24 C ATOM 1265 O GLY A 79 -7.053 -4.678 21.323 1.00 74.52 O ATOM 0 H GLY A 79 -4.023 -7.510 20.783 1.00 3.11 H new ATOM 0 HA2 GLY A 79 -6.864 -7.270 21.386 1.00 54.44 H new ATOM 0 HA3 GLY A 79 -5.502 -6.795 22.382 1.00 54.44 H new ATOM 1269 N LEU A 80 -5.150 -4.828 20.132 1.00 55.44 N ATOM 1270 CA LEU A 80 -5.216 -3.452 19.649 1.00 23.41 C ATOM 1271 C LEU A 80 -6.282 -3.304 18.569 1.00 74.41 C ATOM 1272 O LEU A 80 -6.887 -2.242 18.419 1.00 21.31 O ATOM 1273 CB LEU A 80 -3.855 -3.018 19.101 1.00 31.23 C ATOM 1274 CG LEU A 80 -3.199 -1.827 19.800 1.00 14.31 C ATOM 1275 CD1 LEU A 80 -2.629 -2.245 21.146 1.00 23.22 C ATOM 1276 CD2 LEU A 80 -2.112 -1.225 18.922 1.00 71.35 C ATOM 0 H LEU A 80 -4.340 -5.353 19.802 1.00 55.44 H new ATOM 0 HA LEU A 80 -5.485 -2.811 20.488 1.00 23.41 H new ATOM 0 HB2 LEU A 80 -3.175 -3.868 19.159 1.00 31.23 H new ATOM 0 HB3 LEU A 80 -3.972 -2.775 18.045 1.00 31.23 H new ATOM 0 HG LEU A 80 -3.961 -1.067 19.972 1.00 14.31 H new ATOM 0 HD11 LEU A 80 -2.166 -1.384 21.628 1.00 23.22 H new ATOM 0 HD12 LEU A 80 -3.431 -2.627 21.778 1.00 23.22 H new ATOM 0 HD13 LEU A 80 -1.881 -3.024 20.998 1.00 23.22 H new ATOM 0 HD21 LEU A 80 -1.656 -0.379 19.436 1.00 71.35 H new ATOM 0 HD22 LEU A 80 -1.351 -1.978 18.718 1.00 71.35 H new ATOM 0 HD23 LEU A 80 -2.549 -0.887 17.983 1.00 71.35 H new ATOM 1288 N LYS A 81 -6.511 -4.377 17.819 1.00 25.31 N ATOM 1289 CA LYS A 81 -7.507 -4.370 16.754 1.00 3.44 C ATOM 1290 C LYS A 81 -8.855 -3.883 17.275 1.00 53.53 C ATOM 1291 O LYS A 81 -9.397 -2.889 16.790 1.00 71.11 O ATOM 1292 CB LYS A 81 -7.655 -5.770 16.156 1.00 23.31 C ATOM 1293 CG LYS A 81 -6.662 -6.065 15.045 1.00 60.01 C ATOM 1294 CD LYS A 81 -7.323 -6.010 13.678 1.00 61.42 C ATOM 1295 CE LYS A 81 -6.355 -6.409 12.574 1.00 21.24 C ATOM 1296 NZ LYS A 81 -7.033 -7.175 11.492 1.00 23.10 N ATOM 0 H LYS A 81 -6.019 -5.264 17.930 1.00 25.31 H new ATOM 0 HA LYS A 81 -7.168 -3.685 15.977 1.00 3.44 H new ATOM 0 HB2 LYS A 81 -7.532 -6.509 16.948 1.00 23.31 H new ATOM 0 HB3 LYS A 81 -8.667 -5.885 15.767 1.00 23.31 H new ATOM 0 HG2 LYS A 81 -5.845 -5.344 15.085 1.00 60.01 H new ATOM 0 HG3 LYS A 81 -6.224 -7.051 15.199 1.00 60.01 H new ATOM 0 HD2 LYS A 81 -8.187 -6.674 13.663 1.00 61.42 H new ATOM 0 HD3 LYS A 81 -7.693 -5.002 13.492 1.00 61.42 H new ATOM 0 HE2 LYS A 81 -5.896 -5.515 12.153 1.00 21.24 H new ATOM 0 HE3 LYS A 81 -5.551 -7.011 12.996 1.00 21.24 H new ATOM 0 HZ1 LYS A 81 -6.340 -7.428 10.759 1.00 23.10 H new ATOM 0 HZ2 LYS A 81 -7.450 -8.041 11.889 1.00 23.10 H new ATOM 0 HZ3 LYS A 81 -7.784 -6.591 11.071 1.00 23.10 H new ATOM 1310 N VAL A 82 -9.392 -4.588 18.266 1.00 40.43 N ATOM 1311 CA VAL A 82 -10.676 -4.225 18.854 1.00 71.34 C ATOM 1312 C VAL A 82 -10.633 -2.820 19.444 1.00 74.41 C ATOM 1313 O VAL A 82 -11.652 -2.291 19.887 1.00 32.30 O ATOM 1314 CB VAL A 82 -11.090 -5.220 19.954 1.00 72.30 C ATOM 1315 CG1 VAL A 82 -12.581 -5.113 20.237 1.00 21.43 C ATOM 1316 CG2 VAL A 82 -10.715 -6.640 19.557 1.00 52.04 C ATOM 0 H VAL A 82 -8.958 -5.414 18.678 1.00 40.43 H new ATOM 0 HA VAL A 82 -11.412 -4.256 18.051 1.00 71.34 H new ATOM 0 HB VAL A 82 -10.552 -4.969 20.868 1.00 72.30 H new ATOM 0 HG11 VAL A 82 -12.855 -5.823 21.017 1.00 21.43 H new ATOM 0 HG12 VAL A 82 -12.817 -4.102 20.568 1.00 21.43 H new ATOM 0 HG13 VAL A 82 -13.141 -5.337 19.329 1.00 21.43 H new ATOM 0 HG21 VAL A 82 -11.015 -7.330 20.346 1.00 52.04 H new ATOM 0 HG22 VAL A 82 -11.224 -6.905 18.630 1.00 52.04 H new ATOM 0 HG23 VAL A 82 -9.637 -6.704 19.410 1.00 52.04 H new ATOM 1326 N MET A 83 -9.447 -2.221 19.446 1.00 71.20 N ATOM 1327 CA MET A 83 -9.272 -0.876 19.981 1.00 40.34 C ATOM 1328 C MET A 83 -9.177 0.149 18.854 1.00 35.34 C ATOM 1329 O MET A 83 -9.196 1.355 19.097 1.00 63.41 O ATOM 1330 CB MET A 83 -8.017 -0.810 20.852 1.00 5.34 C ATOM 1331 CG MET A 83 -7.995 0.380 21.798 1.00 35.14 C ATOM 1332 SD MET A 83 -9.260 0.272 23.079 1.00 73.41 S ATOM 1333 CE MET A 83 -8.245 0.186 24.552 1.00 63.23 C ATOM 0 H MET A 83 -8.593 -2.645 19.083 1.00 71.20 H new ATOM 0 HA MET A 83 -10.143 -0.639 20.592 1.00 40.34 H new ATOM 0 HB2 MET A 83 -7.940 -1.728 21.434 1.00 5.34 H new ATOM 0 HB3 MET A 83 -7.139 -0.767 20.207 1.00 5.34 H new ATOM 0 HG2 MET A 83 -7.013 0.448 22.267 1.00 35.14 H new ATOM 0 HG3 MET A 83 -8.140 1.297 21.226 1.00 35.14 H new ATOM 0 HE1 MET A 83 -8.511 -0.702 25.126 1.00 63.23 H new ATOM 0 HE2 MET A 83 -7.194 0.132 24.267 1.00 63.23 H new ATOM 0 HE3 MET A 83 -8.411 1.075 25.161 1.00 63.23 H new ATOM 1343 N ASN A 84 -9.076 -0.340 17.623 1.00 72.14 N ATOM 1344 CA ASN A 84 -8.978 0.534 16.459 1.00 21.22 C ATOM 1345 C ASN A 84 -7.678 1.332 16.487 1.00 53.50 C ATOM 1346 O ASN A 84 -7.625 2.469 16.016 1.00 12.41 O ATOM 1347 CB ASN A 84 -10.174 1.486 16.408 1.00 11.44 C ATOM 1348 CG ASN A 84 -11.244 1.020 15.440 1.00 31.12 C ATOM 1349 OD1 ASN A 84 -11.008 0.925 14.236 1.00 70.43 O ATOM 1350 ND2 ASN A 84 -12.429 0.727 15.964 1.00 64.20 N ATOM 0 H ASN A 84 -9.060 -1.336 17.405 1.00 72.14 H new ATOM 0 HA ASN A 84 -8.981 -0.090 15.565 1.00 21.22 H new ATOM 0 HB2 ASN A 84 -10.605 1.577 17.405 1.00 11.44 H new ATOM 0 HB3 ASN A 84 -9.832 2.479 16.117 1.00 11.44 H new ATOM 0 HD21 ASN A 84 -13.188 0.408 15.362 1.00 64.20 H new ATOM 0 HD22 ASN A 84 -12.580 0.821 16.968 1.00 64.20 H new ATOM 1357 N LEU A 85 -6.632 0.730 17.041 1.00 10.00 N ATOM 1358 CA LEU A 85 -5.331 1.384 17.130 1.00 11.20 C ATOM 1359 C LEU A 85 -4.509 1.134 15.870 1.00 43.41 C ATOM 1360 O LEU A 85 -3.278 1.115 15.913 1.00 42.55 O ATOM 1361 CB LEU A 85 -4.569 0.883 18.358 1.00 71.31 C ATOM 1362 CG LEU A 85 -4.495 1.847 19.542 1.00 44.41 C ATOM 1363 CD1 LEU A 85 -4.191 3.258 19.062 1.00 1.44 C ATOM 1364 CD2 LEU A 85 -5.793 1.820 20.335 1.00 21.51 C ATOM 0 H LEU A 85 -6.659 -0.210 17.436 1.00 10.00 H new ATOM 0 HA LEU A 85 -5.497 2.457 17.226 1.00 11.20 H new ATOM 0 HB2 LEU A 85 -5.035 -0.042 18.697 1.00 71.31 H new ATOM 0 HB3 LEU A 85 -3.552 0.635 18.053 1.00 71.31 H new ATOM 0 HG LEU A 85 -3.686 1.525 20.198 1.00 44.41 H new ATOM 0 HD11 LEU A 85 -4.142 3.931 19.918 1.00 1.44 H new ATOM 0 HD12 LEU A 85 -3.235 3.266 18.539 1.00 1.44 H new ATOM 0 HD13 LEU A 85 -4.978 3.589 18.385 1.00 1.44 H new ATOM 0 HD21 LEU A 85 -5.721 2.512 21.174 1.00 21.51 H new ATOM 0 HD22 LEU A 85 -6.620 2.116 19.690 1.00 21.51 H new ATOM 0 HD23 LEU A 85 -5.969 0.812 20.711 1.00 21.51 H new ATOM 1376 N LEU A 86 -5.196 0.945 14.749 1.00 11.30 N ATOM 1377 CA LEU A 86 -4.529 0.699 13.475 1.00 55.10 C ATOM 1378 C LEU A 86 -3.652 1.883 13.082 1.00 43.00 C ATOM 1379 O LEU A 86 -2.866 1.799 12.139 1.00 72.33 O ATOM 1380 CB LEU A 86 -5.563 0.430 12.380 1.00 40.12 C ATOM 1381 CG LEU A 86 -6.583 -0.670 12.675 1.00 31.02 C ATOM 1382 CD1 LEU A 86 -7.914 -0.357 12.009 1.00 42.11 C ATOM 1383 CD2 LEU A 86 -6.058 -2.022 12.214 1.00 54.23 C ATOM 0 H LEU A 86 -6.215 0.957 14.696 1.00 11.30 H new ATOM 0 HA LEU A 86 -3.893 -0.178 13.589 1.00 55.10 H new ATOM 0 HB2 LEU A 86 -6.104 1.356 12.184 1.00 40.12 H new ATOM 0 HB3 LEU A 86 -5.033 0.170 11.464 1.00 40.12 H new ATOM 0 HG LEU A 86 -6.741 -0.713 13.753 1.00 31.02 H new ATOM 0 HD11 LEU A 86 -8.627 -1.151 12.230 1.00 42.11 H new ATOM 0 HD12 LEU A 86 -8.297 0.591 12.388 1.00 42.11 H new ATOM 0 HD13 LEU A 86 -7.773 -0.286 10.930 1.00 42.11 H new ATOM 0 HD21 LEU A 86 -6.797 -2.793 12.432 1.00 54.23 H new ATOM 0 HD22 LEU A 86 -5.870 -1.993 11.141 1.00 54.23 H new ATOM 0 HD23 LEU A 86 -5.130 -2.250 12.739 1.00 54.23 H new ATOM 1395 N GLU A 87 -3.790 2.984 13.813 1.00 11.44 N ATOM 1396 CA GLU A 87 -3.008 4.185 13.541 1.00 31.32 C ATOM 1397 C GLU A 87 -1.519 3.859 13.466 1.00 73.42 C ATOM 1398 O GLU A 87 -0.944 3.779 12.380 1.00 43.03 O ATOM 1399 CB GLU A 87 -3.256 5.238 14.623 1.00 55.34 C ATOM 1400 CG GLU A 87 -2.251 6.377 14.605 1.00 51.41 C ATOM 1401 CD GLU A 87 -2.895 7.727 14.856 1.00 44.43 C ATOM 1402 OE1 GLU A 87 -3.711 8.161 14.017 1.00 54.13 O ATOM 1403 OE2 GLU A 87 -2.581 8.350 15.892 1.00 31.11 O ATOM 0 H GLU A 87 -4.436 3.070 14.598 1.00 11.44 H new ATOM 0 HA GLU A 87 -3.325 4.583 12.577 1.00 31.32 H new ATOM 0 HB2 GLU A 87 -4.258 5.647 14.497 1.00 55.34 H new ATOM 0 HB3 GLU A 87 -3.229 4.756 15.600 1.00 55.34 H new ATOM 0 HG2 GLU A 87 -1.489 6.196 15.363 1.00 51.41 H new ATOM 0 HG3 GLU A 87 -1.744 6.394 13.640 1.00 51.41 H new ATOM 1410 N LEU A 88 -0.901 3.671 14.627 1.00 53.33 N ATOM 1411 CA LEU A 88 0.521 3.354 14.694 1.00 40.21 C ATOM 1412 C LEU A 88 0.771 1.894 14.332 1.00 60.23 C ATOM 1413 O LEU A 88 1.851 1.536 13.862 1.00 22.20 O ATOM 1414 CB LEU A 88 1.063 3.644 16.095 1.00 74.11 C ATOM 1415 CG LEU A 88 1.007 2.484 17.089 1.00 21.42 C ATOM 1416 CD1 LEU A 88 -0.407 1.934 17.190 1.00 73.13 C ATOM 1417 CD2 LEU A 88 1.980 1.386 16.683 1.00 0.21 C ATOM 0 H LEU A 88 -1.362 3.733 15.535 1.00 53.33 H new ATOM 0 HA LEU A 88 1.042 3.983 13.972 1.00 40.21 H new ATOM 0 HB2 LEU A 88 2.100 3.967 16.002 1.00 74.11 H new ATOM 0 HB3 LEU A 88 0.504 4.482 16.513 1.00 74.11 H new ATOM 0 HG LEU A 88 1.300 2.858 18.070 1.00 21.42 H new ATOM 0 HD11 LEU A 88 -0.427 1.109 17.902 1.00 73.13 H new ATOM 0 HD12 LEU A 88 -1.080 2.722 17.528 1.00 73.13 H new ATOM 0 HD13 LEU A 88 -0.729 1.577 16.212 1.00 73.13 H new ATOM 0 HD21 LEU A 88 1.927 0.568 17.402 1.00 0.21 H new ATOM 0 HD22 LEU A 88 1.718 1.016 15.692 1.00 0.21 H new ATOM 0 HD23 LEU A 88 2.993 1.787 16.664 1.00 0.21 H new ATOM 1429 N VAL A 89 -0.236 1.054 14.551 1.00 1.22 N ATOM 1430 CA VAL A 89 -0.127 -0.367 14.245 1.00 62.11 C ATOM 1431 C VAL A 89 0.265 -0.587 12.788 1.00 54.21 C ATOM 1432 O VAL A 89 0.889 -1.592 12.447 1.00 52.31 O ATOM 1433 CB VAL A 89 -1.449 -1.105 14.527 1.00 71.14 C ATOM 1434 CG1 VAL A 89 -1.764 -2.083 13.405 1.00 32.43 C ATOM 1435 CG2 VAL A 89 -1.384 -1.821 15.867 1.00 0.03 C ATOM 0 H VAL A 89 -1.137 1.334 14.939 1.00 1.22 H new ATOM 0 HA VAL A 89 0.651 -0.771 14.892 1.00 62.11 H new ATOM 0 HB VAL A 89 -2.253 -0.370 14.573 1.00 71.14 H new ATOM 0 HG11 VAL A 89 -2.701 -2.595 13.621 1.00 32.43 H new ATOM 0 HG12 VAL A 89 -1.856 -1.540 12.464 1.00 32.43 H new ATOM 0 HG13 VAL A 89 -0.961 -2.815 13.324 1.00 32.43 H new ATOM 0 HG21 VAL A 89 -2.327 -2.337 16.050 1.00 0.03 H new ATOM 0 HG22 VAL A 89 -0.570 -2.546 15.853 1.00 0.03 H new ATOM 0 HG23 VAL A 89 -1.209 -1.094 16.660 1.00 0.03 H new ATOM 1445 N ASP A 90 -0.106 0.360 11.933 1.00 63.34 N ATOM 1446 CA ASP A 90 0.208 0.271 10.511 1.00 0.02 C ATOM 1447 C ASP A 90 1.620 -0.267 10.299 1.00 75.22 C ATOM 1448 O ASP A 90 1.816 -1.262 9.602 1.00 75.41 O ATOM 1449 CB ASP A 90 0.067 1.643 9.849 1.00 31.34 C ATOM 1450 CG ASP A 90 -0.354 1.544 8.396 1.00 23.22 C ATOM 1451 OD1 ASP A 90 -1.174 0.659 8.075 1.00 74.15 O ATOM 1452 OD2 ASP A 90 0.137 2.352 7.581 1.00 62.13 O ATOM 0 H ASP A 90 -0.624 1.197 12.199 1.00 63.34 H new ATOM 0 HA ASP A 90 -0.498 -0.420 10.051 1.00 0.02 H new ATOM 0 HB2 ASP A 90 -0.667 2.234 10.397 1.00 31.34 H new ATOM 0 HB3 ASP A 90 1.017 2.174 9.914 1.00 31.34 H new ATOM 1457 N GLN A 91 2.598 0.398 10.903 1.00 4.42 N ATOM 1458 CA GLN A 91 3.992 -0.013 10.778 1.00 13.32 C ATOM 1459 C GLN A 91 4.305 -1.169 11.722 1.00 72.22 C ATOM 1460 O GLN A 91 4.674 -2.259 11.283 1.00 21.54 O ATOM 1461 CB GLN A 91 4.922 1.166 11.071 1.00 15.11 C ATOM 1462 CG GLN A 91 4.765 2.321 10.095 1.00 2.34 C ATOM 1463 CD GLN A 91 4.094 3.528 10.722 1.00 71.42 C ATOM 1464 OE1 GLN A 91 3.003 3.423 11.284 1.00 41.55 O ATOM 1465 NE2 GLN A 91 4.744 4.682 10.629 1.00 72.12 N ATOM 0 H GLN A 91 2.452 1.224 11.484 1.00 4.42 H new ATOM 0 HA GLN A 91 4.155 -0.349 9.754 1.00 13.32 H new ATOM 0 HB2 GLN A 91 4.731 1.527 12.082 1.00 15.11 H new ATOM 0 HB3 GLN A 91 5.955 0.818 11.047 1.00 15.11 H new ATOM 0 HG2 GLN A 91 5.746 2.610 9.719 1.00 2.34 H new ATOM 0 HG3 GLN A 91 4.180 1.990 9.237 1.00 2.34 H new ATOM 0 HE21 GLN A 91 5.646 4.723 10.154 1.00 72.12 H new ATOM 0 HE22 GLN A 91 4.342 5.528 11.032 1.00 72.12 H new ATOM 1474 N LEU A 92 4.155 -0.925 13.019 1.00 45.21 N ATOM 1475 CA LEU A 92 4.423 -1.946 14.026 1.00 73.13 C ATOM 1476 C LEU A 92 4.064 -3.333 13.503 1.00 74.32 C ATOM 1477 O LEU A 92 4.868 -4.262 13.574 1.00 23.01 O ATOM 1478 CB LEU A 92 3.634 -1.650 15.303 1.00 62.13 C ATOM 1479 CG LEU A 92 3.568 -2.782 16.328 1.00 31.42 C ATOM 1480 CD1 LEU A 92 2.491 -3.786 15.946 1.00 23.23 C ATOM 1481 CD2 LEU A 92 4.920 -3.469 16.453 1.00 62.25 C ATOM 0 H LEU A 92 3.849 -0.029 13.398 1.00 45.21 H new ATOM 0 HA LEU A 92 5.489 -1.928 14.252 1.00 73.13 H new ATOM 0 HB2 LEU A 92 4.074 -0.776 15.784 1.00 62.13 H new ATOM 0 HB3 LEU A 92 2.616 -1.380 15.023 1.00 62.13 H new ATOM 0 HG LEU A 92 3.310 -2.354 17.297 1.00 31.42 H new ATOM 0 HD11 LEU A 92 2.459 -4.585 16.687 1.00 23.23 H new ATOM 0 HD12 LEU A 92 1.523 -3.285 15.910 1.00 23.23 H new ATOM 0 HD13 LEU A 92 2.718 -4.208 14.967 1.00 23.23 H new ATOM 0 HD21 LEU A 92 4.854 -4.272 17.187 1.00 62.25 H new ATOM 0 HD22 LEU A 92 5.208 -3.883 15.487 1.00 62.25 H new ATOM 0 HD23 LEU A 92 5.668 -2.744 16.775 1.00 62.25 H new ATOM 1493 N SER A 93 2.851 -3.466 12.975 1.00 13.43 N ATOM 1494 CA SER A 93 2.384 -4.740 12.441 1.00 2.23 C ATOM 1495 C SER A 93 3.247 -5.184 11.264 1.00 21.13 C ATOM 1496 O SER A 93 3.716 -6.322 11.218 1.00 52.03 O ATOM 1497 CB SER A 93 0.922 -4.629 12.003 1.00 5.15 C ATOM 1498 OG SER A 93 0.046 -4.805 13.103 1.00 10.20 O ATOM 0 H SER A 93 2.174 -2.706 12.906 1.00 13.43 H new ATOM 0 HA SER A 93 2.463 -5.488 13.230 1.00 2.23 H new ATOM 0 HB2 SER A 93 0.748 -3.654 11.548 1.00 5.15 H new ATOM 0 HB3 SER A 93 0.709 -5.379 11.241 1.00 5.15 H new ATOM 0 HG SER A 93 -0.880 -4.824 12.784 1.00 10.20 H new ATOM 1504 N HIS A 94 3.453 -4.278 10.314 1.00 51.30 N ATOM 1505 CA HIS A 94 4.260 -4.575 9.136 1.00 40.21 C ATOM 1506 C HIS A 94 5.736 -4.692 9.504 1.00 40.20 C ATOM 1507 O HIS A 94 6.577 -4.977 8.651 1.00 4.51 O ATOM 1508 CB HIS A 94 4.071 -3.490 8.075 1.00 3.34 C ATOM 1509 CG HIS A 94 2.779 -3.602 7.326 1.00 22.54 C ATOM 1510 ND1 HIS A 94 1.642 -4.165 7.867 1.00 24.03 N ATOM 1511 CD2 HIS A 94 2.447 -3.219 6.071 1.00 21.34 C ATOM 1512 CE1 HIS A 94 0.667 -4.125 6.977 1.00 44.42 C ATOM 1513 NE2 HIS A 94 1.130 -3.555 5.878 1.00 14.04 N ATOM 0 H HIS A 94 3.072 -3.332 10.337 1.00 51.30 H new ATOM 0 HA HIS A 94 3.928 -5.531 8.730 1.00 40.21 H new ATOM 0 HB2 HIS A 94 4.120 -2.512 8.555 1.00 3.34 H new ATOM 0 HB3 HIS A 94 4.898 -3.539 7.366 1.00 3.34 H new ATOM 0 HD2 HIS A 94 3.097 -2.739 5.355 1.00 21.34 H new ATOM 0 HE1 HIS A 94 -0.337 -4.495 7.122 1.00 44.42 H new ATOM 0 HE2 HIS A 94 0.595 -3.391 5.025 1.00 14.04 H new ATOM 1521 N ILE A 95 6.043 -4.470 10.778 1.00 54.44 N ATOM 1522 CA ILE A 95 7.417 -4.550 11.257 1.00 34.54 C ATOM 1523 C ILE A 95 7.617 -5.773 12.147 1.00 0.41 C ATOM 1524 O ILE A 95 8.738 -6.255 12.313 1.00 1.13 O ATOM 1525 CB ILE A 95 7.814 -3.287 12.043 1.00 11.21 C ATOM 1526 CG1 ILE A 95 7.750 -2.056 11.137 1.00 45.50 C ATOM 1527 CG2 ILE A 95 9.207 -3.446 12.633 1.00 63.12 C ATOM 1528 CD1 ILE A 95 7.805 -0.746 11.892 1.00 34.13 C ATOM 0 H ILE A 95 5.359 -4.233 11.496 1.00 54.44 H new ATOM 0 HA ILE A 95 8.054 -4.635 10.377 1.00 34.54 H new ATOM 0 HB ILE A 95 7.108 -3.149 12.862 1.00 11.21 H new ATOM 0 HG12 ILE A 95 8.578 -2.093 10.429 1.00 45.50 H new ATOM 0 HG13 ILE A 95 6.830 -2.092 10.554 1.00 45.50 H new ATOM 0 HG21 ILE A 95 9.473 -2.545 13.186 1.00 63.12 H new ATOM 0 HG22 ILE A 95 9.221 -4.302 13.307 1.00 63.12 H new ATOM 0 HG23 ILE A 95 9.926 -3.605 11.830 1.00 63.12 H new ATOM 0 HD11 ILE A 95 7.755 0.083 11.186 1.00 34.13 H new ATOM 0 HD12 ILE A 95 6.962 -0.687 12.581 1.00 34.13 H new ATOM 0 HD13 ILE A 95 8.737 -0.689 12.454 1.00 34.13 H new