USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 15 ASN : amide:sc= -0.193 X(o=-0.3,f=-0.4) USER MOD Set 1.2: A 19 ASN : amide:sc= -0.106 K(o=-0.3,f=-2.4!) USER MOD Single : A 14 SER OG : rot 180:sc= -0.226 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.956 USER MOD Single : A 36 SER OG : rot -34:sc= 0.14 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.6!) USER MOD Single : A 44 TYR OH : rot -31:sc= -0.389 USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.0446 (180deg=-0.623) USER MOD Single : A 50 GLN : amide:sc= -0.0285 K(o=-0.028,f=-0.62) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.0594 (180deg=-0.541) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -132:sc= 0 (180deg=-0.000701) USER MOD Single : A 63 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.7) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 78 SER OG : rot -127:sc= 1.46 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.94 K(o=-1.9,f=-9.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 152:sc= -0.759 (180deg=-2.01!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -91:sc= 0.981 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.792 -3.822 7.576 1.00 23.34 N ATOM 195 CA ARG A 13 9.606 -2.973 7.558 1.00 20.20 C ATOM 196 C ARG A 13 9.192 -2.649 6.126 1.00 50.43 C ATOM 197 O ARG A 13 8.007 -2.509 5.828 1.00 74.33 O ATOM 198 CB ARG A 13 9.867 -1.679 8.330 1.00 24.11 C ATOM 199 CG ARG A 13 11.126 -0.950 7.891 1.00 64.34 C ATOM 200 CD ARG A 13 12.210 -1.018 8.955 1.00 73.34 C ATOM 201 NE ARG A 13 13.032 0.188 8.978 1.00 12.20 N ATOM 202 CZ ARG A 13 12.602 1.361 9.433 1.00 65.21 C ATOM 203 NH1 ARG A 13 11.368 1.482 9.900 1.00 54.41 N ATOM 204 NH2 ARG A 13 13.410 2.414 9.421 1.00 34.33 N ATOM 0 HA ARG A 13 8.793 -3.517 8.039 1.00 20.20 H new ATOM 0 HB2 ARG A 13 9.012 -1.015 8.208 1.00 24.11 H new ATOM 0 HB3 ARG A 13 9.943 -1.909 9.393 1.00 24.11 H new ATOM 0 HG2 ARG A 13 11.497 -1.388 6.964 1.00 64.34 H new ATOM 0 HG3 ARG A 13 10.889 0.092 7.678 1.00 64.34 H new ATOM 0 HD2 ARG A 13 11.750 -1.161 9.933 1.00 73.34 H new ATOM 0 HD3 ARG A 13 12.844 -1.885 8.771 1.00 73.34 H new ATOM 0 HE ARG A 13 13.987 0.128 8.626 1.00 12.20 H new ATOM 0 HH11 ARG A 13 10.745 0.674 9.911 1.00 54.41 H new ATOM 0 HH12 ARG A 13 11.041 2.383 10.248 1.00 54.41 H new ATOM 0 HH21 ARG A 13 14.361 2.323 9.063 1.00 34.33 H new ATOM 0 HH22 ARG A 13 13.080 3.314 9.770 1.00 34.33 H new ATOM 218 N SER A 14 10.179 -2.529 5.242 1.00 21.04 N ATOM 219 CA SER A 14 9.918 -2.216 3.843 1.00 43.02 C ATOM 220 C SER A 14 9.249 -3.394 3.138 1.00 1.15 C ATOM 221 O SER A 14 8.303 -3.216 2.372 1.00 63.40 O ATOM 222 CB SER A 14 11.221 -1.854 3.128 1.00 13.30 C ATOM 223 OG SER A 14 12.231 -1.498 4.056 1.00 31.45 O ATOM 0 H SER A 14 11.166 -2.644 5.471 1.00 21.04 H new ATOM 0 HA SER A 14 9.242 -1.362 3.808 1.00 43.02 H new ATOM 0 HB2 SER A 14 11.557 -2.699 2.527 1.00 13.30 H new ATOM 0 HB3 SER A 14 11.045 -1.025 2.442 1.00 13.30 H new ATOM 0 HG SER A 14 13.054 -1.273 3.574 1.00 31.45 H new ATOM 229 N ASN A 15 9.749 -4.596 3.405 1.00 22.11 N ATOM 230 CA ASN A 15 9.201 -5.803 2.797 1.00 31.31 C ATOM 231 C ASN A 15 7.881 -6.192 3.455 1.00 34.41 C ATOM 232 O ASN A 15 7.048 -6.865 2.847 1.00 25.14 O ATOM 233 CB ASN A 15 10.200 -6.956 2.913 1.00 72.13 C ATOM 234 CG ASN A 15 9.531 -8.313 2.814 1.00 60.41 C ATOM 235 OD1 ASN A 15 9.323 -8.836 1.720 1.00 75.35 O ATOM 236 ND2 ASN A 15 9.190 -8.890 3.962 1.00 42.54 N ATOM 0 H ASN A 15 10.532 -4.760 4.038 1.00 22.11 H new ATOM 0 HA ASN A 15 9.015 -5.597 1.743 1.00 31.31 H new ATOM 0 HB2 ASN A 15 10.949 -6.865 2.126 1.00 72.13 H new ATOM 0 HB3 ASN A 15 10.727 -6.882 3.864 1.00 72.13 H new ATOM 0 HD21 ASN A 15 8.736 -9.804 3.959 1.00 42.54 H new ATOM 0 HD22 ASN A 15 9.382 -8.419 4.846 1.00 42.54 H new ATOM 243 N GLN A 16 7.696 -5.763 4.700 1.00 45.44 N ATOM 244 CA GLN A 16 6.477 -6.066 5.439 1.00 73.10 C ATOM 245 C GLN A 16 5.250 -5.526 4.712 1.00 42.43 C ATOM 246 O GLN A 16 4.428 -6.291 4.208 1.00 4.41 O ATOM 247 CB GLN A 16 6.550 -5.476 6.849 1.00 3.52 C ATOM 248 CG GLN A 16 5.401 -5.904 7.748 1.00 5.21 C ATOM 249 CD GLN A 16 5.708 -7.170 8.523 1.00 3.43 C ATOM 250 OE1 GLN A 16 5.709 -8.267 7.967 1.00 64.05 O ATOM 251 NE2 GLN A 16 5.970 -7.022 9.817 1.00 44.24 N ATOM 0 H GLN A 16 8.375 -5.205 5.217 1.00 45.44 H new ATOM 0 HA GLN A 16 6.386 -7.150 5.510 1.00 73.10 H new ATOM 0 HB2 GLN A 16 7.492 -5.774 7.310 1.00 3.52 H new ATOM 0 HB3 GLN A 16 6.560 -4.388 6.779 1.00 3.52 H new ATOM 0 HG2 GLN A 16 5.173 -5.100 8.448 1.00 5.21 H new ATOM 0 HG3 GLN A 16 4.509 -6.061 7.142 1.00 5.21 H new ATOM 0 HE21 GLN A 16 5.958 -6.092 10.237 1.00 44.24 H new ATOM 0 HE22 GLN A 16 6.183 -7.838 10.391 1.00 44.24 H new ATOM 260 N ALA A 17 5.133 -4.203 4.662 1.00 43.31 N ATOM 261 CA ALA A 17 4.008 -3.560 3.995 1.00 72.34 C ATOM 262 C ALA A 17 3.926 -3.978 2.531 1.00 74.15 C ATOM 263 O ALA A 17 2.844 -4.263 2.017 1.00 51.44 O ATOM 264 CB ALA A 17 4.122 -2.047 4.108 1.00 75.55 C ATOM 0 H ALA A 17 5.804 -3.556 5.076 1.00 43.31 H new ATOM 0 HA ALA A 17 3.092 -3.882 4.490 1.00 72.34 H new ATOM 0 HB1 ALA A 17 3.275 -1.580 3.605 1.00 75.55 H new ATOM 0 HB2 ALA A 17 4.123 -1.760 5.159 1.00 75.55 H new ATOM 0 HB3 ALA A 17 5.049 -1.716 3.640 1.00 75.55 H new ATOM 270 N GLU A 18 5.076 -4.014 1.864 1.00 14.40 N ATOM 271 CA GLU A 18 5.132 -4.396 0.459 1.00 54.52 C ATOM 272 C GLU A 18 4.404 -5.717 0.225 1.00 54.45 C ATOM 273 O GLU A 18 3.677 -5.872 -0.757 1.00 44.11 O ATOM 274 CB GLU A 18 6.586 -4.513 -0.003 1.00 41.34 C ATOM 275 CG GLU A 18 6.734 -5.042 -1.420 1.00 34.20 C ATOM 276 CD GLU A 18 7.570 -6.306 -1.486 1.00 52.44 C ATOM 277 OE1 GLU A 18 8.538 -6.416 -0.707 1.00 65.25 O ATOM 278 OE2 GLU A 18 7.255 -7.182 -2.319 1.00 23.53 O ATOM 0 H GLU A 18 5.981 -3.783 2.275 1.00 14.40 H new ATOM 0 HA GLU A 18 4.635 -3.619 -0.123 1.00 54.52 H new ATOM 0 HB2 GLU A 18 7.059 -3.533 0.061 1.00 41.34 H new ATOM 0 HB3 GLU A 18 7.123 -5.171 0.680 1.00 41.34 H new ATOM 0 HG2 GLU A 18 5.746 -5.242 -1.834 1.00 34.20 H new ATOM 0 HG3 GLU A 18 7.192 -4.275 -2.044 1.00 34.20 H new ATOM 285 N ASN A 19 4.605 -6.666 1.132 1.00 2.23 N ATOM 286 CA ASN A 19 3.970 -7.974 1.026 1.00 54.32 C ATOM 287 C ASN A 19 2.455 -7.855 1.163 1.00 21.21 C ATOM 288 O ASN A 19 1.704 -8.520 0.449 1.00 15.50 O ATOM 289 CB ASN A 19 4.519 -8.920 2.096 1.00 73.04 C ATOM 290 CG ASN A 19 5.796 -9.610 1.657 1.00 71.43 C ATOM 291 OD1 ASN A 19 6.122 -9.641 0.470 1.00 61.32 O ATOM 292 ND2 ASN A 19 6.526 -10.168 2.615 1.00 22.11 N ATOM 0 H ASN A 19 5.204 -6.554 1.950 1.00 2.23 H new ATOM 0 HA ASN A 19 4.197 -8.382 0.041 1.00 54.32 H new ATOM 0 HB2 ASN A 19 4.709 -8.359 3.011 1.00 73.04 H new ATOM 0 HB3 ASN A 19 3.766 -9.672 2.333 1.00 73.04 H new ATOM 0 HD21 ASN A 19 7.396 -10.647 2.380 1.00 22.11 H new ATOM 0 HD22 ASN A 19 6.217 -10.118 3.586 1.00 22.11 H new ATOM 299 N ILE A 20 2.016 -7.006 2.086 1.00 54.01 N ATOM 300 CA ILE A 20 0.590 -6.800 2.316 1.00 44.53 C ATOM 301 C ILE A 20 -0.066 -6.119 1.120 1.00 14.14 C ATOM 302 O ILE A 20 -1.079 -6.592 0.602 1.00 41.21 O ATOM 303 CB ILE A 20 0.341 -5.952 3.576 1.00 2.33 C ATOM 304 CG1 ILE A 20 1.125 -6.518 4.762 1.00 23.54 C ATOM 305 CG2 ILE A 20 -1.145 -5.898 3.893 1.00 35.34 C ATOM 306 CD1 ILE A 20 1.027 -5.670 6.011 1.00 62.21 C ATOM 0 H ILE A 20 2.625 -6.450 2.686 1.00 54.01 H new ATOM 0 HA ILE A 20 0.147 -7.786 2.458 1.00 44.53 H new ATOM 0 HB ILE A 20 0.689 -4.936 3.387 1.00 2.33 H new ATOM 0 HG12 ILE A 20 0.759 -7.521 4.984 1.00 23.54 H new ATOM 0 HG13 ILE A 20 2.173 -6.616 4.481 1.00 23.54 H new ATOM 0 HG21 ILE A 20 -1.305 -5.295 4.787 1.00 35.34 H new ATOM 0 HG22 ILE A 20 -1.680 -5.453 3.054 1.00 35.34 H new ATOM 0 HG23 ILE A 20 -1.517 -6.908 4.066 1.00 35.34 H new ATOM 0 HD11 ILE A 20 1.607 -6.131 6.811 1.00 62.21 H new ATOM 0 HD12 ILE A 20 1.420 -4.674 5.806 1.00 62.21 H new ATOM 0 HD13 ILE A 20 -0.016 -5.593 6.317 1.00 62.21 H new ATOM 318 N ILE A 21 0.517 -5.007 0.685 1.00 0.11 N ATOM 319 CA ILE A 21 -0.010 -4.262 -0.451 1.00 13.11 C ATOM 320 C ILE A 21 -0.253 -5.180 -1.645 1.00 52.00 C ATOM 321 O ILE A 21 -1.304 -5.123 -2.283 1.00 33.34 O ATOM 322 CB ILE A 21 0.944 -3.129 -0.874 1.00 62.15 C ATOM 323 CG1 ILE A 21 1.137 -2.139 0.276 1.00 34.12 C ATOM 324 CG2 ILE A 21 0.409 -2.419 -2.109 1.00 33.42 C ATOM 325 CD1 ILE A 21 2.202 -1.100 0.006 1.00 24.03 C ATOM 0 H ILE A 21 1.355 -4.602 1.103 1.00 0.11 H new ATOM 0 HA ILE A 21 -0.957 -3.827 -0.131 1.00 13.11 H new ATOM 0 HB ILE A 21 1.913 -3.563 -1.120 1.00 62.15 H new ATOM 0 HG12 ILE A 21 0.191 -1.635 0.473 1.00 34.12 H new ATOM 0 HG13 ILE A 21 1.399 -2.690 1.179 1.00 34.12 H new ATOM 0 HG21 ILE A 21 1.094 -1.621 -2.395 1.00 33.42 H new ATOM 0 HG22 ILE A 21 0.320 -3.132 -2.929 1.00 33.42 H new ATOM 0 HG23 ILE A 21 -0.571 -1.994 -1.889 1.00 33.42 H new ATOM 0 HD11 ILE A 21 2.284 -0.432 0.863 1.00 24.03 H new ATOM 0 HD12 ILE A 21 3.159 -1.595 -0.162 1.00 24.03 H new ATOM 0 HD13 ILE A 21 1.932 -0.523 -0.878 1.00 24.03 H new ATOM 337 N THR A 22 0.728 -6.028 -1.941 1.00 54.30 N ATOM 338 CA THR A 22 0.622 -6.959 -3.058 1.00 14.22 C ATOM 339 C THR A 22 -0.610 -7.846 -2.918 1.00 35.21 C ATOM 340 O THR A 22 -1.192 -8.278 -3.914 1.00 2.33 O ATOM 341 CB THR A 22 1.873 -7.850 -3.167 1.00 73.11 C ATOM 342 OG1 THR A 22 3.047 -7.036 -3.266 1.00 62.22 O ATOM 343 CG2 THR A 22 1.781 -8.766 -4.378 1.00 20.04 C ATOM 0 H THR A 22 1.604 -6.089 -1.423 1.00 54.30 H new ATOM 0 HA THR A 22 0.533 -6.359 -3.963 1.00 14.22 H new ATOM 0 HB THR A 22 1.933 -8.466 -2.270 1.00 73.11 H new ATOM 0 HG1 THR A 22 3.256 -6.655 -2.388 1.00 62.22 H new ATOM 0 HG21 THR A 22 2.676 -9.386 -4.434 1.00 20.04 H new ATOM 0 HG22 THR A 22 0.903 -9.405 -4.285 1.00 20.04 H new ATOM 0 HG23 THR A 22 1.699 -8.165 -5.283 1.00 20.04 H new ATOM 351 N ASP A 23 -1.003 -8.113 -1.678 1.00 71.23 N ATOM 352 CA ASP A 23 -2.168 -8.949 -1.408 1.00 70.23 C ATOM 353 C ASP A 23 -3.426 -8.340 -2.018 1.00 53.42 C ATOM 354 O ASP A 23 -4.061 -8.938 -2.888 1.00 43.11 O ATOM 355 CB ASP A 23 -2.353 -9.131 0.099 1.00 71.02 C ATOM 356 CG ASP A 23 -3.257 -10.302 0.434 1.00 52.32 C ATOM 357 OD1 ASP A 23 -3.223 -11.307 -0.306 1.00 32.52 O ATOM 358 OD2 ASP A 23 -3.998 -10.212 1.435 1.00 73.31 O ATOM 0 H ASP A 23 -0.533 -7.763 -0.843 1.00 71.23 H new ATOM 0 HA ASP A 23 -1.999 -9.924 -1.866 1.00 70.23 H new ATOM 0 HB2 ASP A 23 -1.380 -9.282 0.566 1.00 71.02 H new ATOM 0 HB3 ASP A 23 -2.772 -8.219 0.523 1.00 71.02 H new ATOM 363 N LEU A 24 -3.783 -7.146 -1.556 1.00 21.14 N ATOM 364 CA LEU A 24 -4.967 -6.455 -2.055 1.00 24.50 C ATOM 365 C LEU A 24 -4.989 -6.445 -3.580 1.00 74.22 C ATOM 366 O LEU A 24 -6.014 -6.733 -4.199 1.00 12.04 O ATOM 367 CB LEU A 24 -5.008 -5.022 -1.522 1.00 51.15 C ATOM 368 CG LEU A 24 -5.215 -4.871 -0.016 1.00 4.14 C ATOM 369 CD1 LEU A 24 -5.363 -3.405 0.359 1.00 31.34 C ATOM 370 CD2 LEU A 24 -6.431 -5.666 0.439 1.00 52.42 C ATOM 0 H LEU A 24 -3.269 -6.637 -0.837 1.00 21.14 H new ATOM 0 HA LEU A 24 -5.847 -6.992 -1.702 1.00 24.50 H new ATOM 0 HB2 LEU A 24 -4.074 -4.529 -1.791 1.00 51.15 H new ATOM 0 HB3 LEU A 24 -5.809 -4.488 -2.034 1.00 51.15 H new ATOM 0 HG LEU A 24 -4.336 -5.267 0.493 1.00 4.14 H new ATOM 0 HD11 LEU A 24 -5.510 -3.318 1.436 1.00 31.34 H new ATOM 0 HD12 LEU A 24 -4.463 -2.863 0.070 1.00 31.34 H new ATOM 0 HD13 LEU A 24 -6.223 -2.982 -0.160 1.00 31.34 H new ATOM 0 HD21 LEU A 24 -6.562 -5.546 1.514 1.00 52.42 H new ATOM 0 HD22 LEU A 24 -7.319 -5.301 -0.078 1.00 52.42 H new ATOM 0 HD23 LEU A 24 -6.284 -6.721 0.207 1.00 52.42 H new ATOM 382 N LEU A 25 -3.852 -6.112 -4.181 1.00 25.42 N ATOM 383 CA LEU A 25 -3.739 -6.066 -5.634 1.00 63.43 C ATOM 384 C LEU A 25 -4.144 -7.400 -6.254 1.00 51.34 C ATOM 385 O LEU A 25 -4.913 -7.441 -7.214 1.00 62.02 O ATOM 386 CB LEU A 25 -2.308 -5.715 -6.043 1.00 61.12 C ATOM 387 CG LEU A 25 -2.114 -4.348 -6.701 1.00 35.04 C ATOM 388 CD1 LEU A 25 -2.706 -4.341 -8.102 1.00 20.53 C ATOM 389 CD2 LEU A 25 -2.741 -3.253 -5.850 1.00 34.31 C ATOM 0 H LEU A 25 -2.995 -5.870 -3.684 1.00 25.42 H new ATOM 0 HA LEU A 25 -4.415 -5.295 -6.002 1.00 63.43 H new ATOM 0 HB2 LEU A 25 -1.676 -5.762 -5.156 1.00 61.12 H new ATOM 0 HB3 LEU A 25 -1.950 -6.481 -6.731 1.00 61.12 H new ATOM 0 HG LEU A 25 -1.045 -4.152 -6.780 1.00 35.04 H new ATOM 0 HD11 LEU A 25 -2.559 -3.360 -8.554 1.00 20.53 H new ATOM 0 HD12 LEU A 25 -2.212 -5.099 -8.710 1.00 20.53 H new ATOM 0 HD13 LEU A 25 -3.773 -4.559 -8.047 1.00 20.53 H new ATOM 0 HD21 LEU A 25 -2.593 -2.287 -6.333 1.00 34.31 H new ATOM 0 HD22 LEU A 25 -3.808 -3.444 -5.740 1.00 34.31 H new ATOM 0 HD23 LEU A 25 -2.271 -3.242 -4.867 1.00 34.31 H new ATOM 401 N ASP A 26 -3.622 -8.488 -5.697 1.00 72.13 N ATOM 402 CA ASP A 26 -3.933 -9.824 -6.193 1.00 64.12 C ATOM 403 C ASP A 26 -5.432 -10.093 -6.128 1.00 74.25 C ATOM 404 O ASP A 26 -6.016 -10.639 -7.065 1.00 74.40 O ATOM 405 CB ASP A 26 -3.176 -10.879 -5.385 1.00 32.24 C ATOM 406 CG ASP A 26 -3.590 -12.292 -5.748 1.00 25.31 C ATOM 407 OD1 ASP A 26 -4.671 -12.729 -5.298 1.00 45.42 O ATOM 408 OD2 ASP A 26 -2.833 -12.961 -6.482 1.00 25.00 O ATOM 0 H ASP A 26 -2.982 -8.471 -4.903 1.00 72.13 H new ATOM 0 HA ASP A 26 -3.618 -9.881 -7.235 1.00 64.12 H new ATOM 0 HB2 ASP A 26 -2.105 -10.762 -5.553 1.00 32.24 H new ATOM 0 HB3 ASP A 26 -3.351 -10.714 -4.322 1.00 32.24 H new ATOM 413 N ASP A 27 -6.050 -9.708 -5.018 1.00 0.23 N ATOM 414 CA ASP A 27 -7.482 -9.908 -4.830 1.00 0.11 C ATOM 415 C ASP A 27 -8.279 -9.161 -5.895 1.00 14.21 C ATOM 416 O ASP A 27 -9.222 -9.703 -6.475 1.00 1.42 O ATOM 417 CB ASP A 27 -7.907 -9.440 -3.437 1.00 2.40 C ATOM 418 CG ASP A 27 -9.202 -10.081 -2.980 1.00 62.33 C ATOM 419 OD1 ASP A 27 -10.245 -9.828 -3.616 1.00 51.12 O ATOM 420 OD2 ASP A 27 -9.172 -10.836 -1.986 1.00 20.23 O ATOM 0 H ASP A 27 -5.581 -9.255 -4.233 1.00 0.23 H new ATOM 0 HA ASP A 27 -7.690 -10.974 -4.926 1.00 0.11 H new ATOM 0 HB2 ASP A 27 -7.118 -9.673 -2.722 1.00 2.40 H new ATOM 0 HB3 ASP A 27 -8.023 -8.356 -3.441 1.00 2.40 H new ATOM 425 N LEU A 28 -7.896 -7.914 -6.148 1.00 25.53 N ATOM 426 CA LEU A 28 -8.576 -7.091 -7.143 1.00 44.21 C ATOM 427 C LEU A 28 -8.323 -7.622 -8.551 1.00 13.52 C ATOM 428 O LEU A 28 -9.185 -7.525 -9.426 1.00 24.05 O ATOM 429 CB LEU A 28 -8.105 -5.640 -7.040 1.00 22.04 C ATOM 430 CG LEU A 28 -9.103 -4.651 -6.435 1.00 75.44 C ATOM 431 CD1 LEU A 28 -8.454 -3.290 -6.240 1.00 13.03 C ATOM 432 CD2 LEU A 28 -10.337 -4.534 -7.318 1.00 31.21 C ATOM 0 H LEU A 28 -7.118 -7.451 -5.678 1.00 25.53 H new ATOM 0 HA LEU A 28 -9.647 -7.133 -6.945 1.00 44.21 H new ATOM 0 HB2 LEU A 28 -7.193 -5.617 -6.443 1.00 22.04 H new ATOM 0 HB3 LEU A 28 -7.841 -5.293 -8.039 1.00 22.04 H new ATOM 0 HG LEU A 28 -9.412 -5.026 -5.459 1.00 75.44 H new ATOM 0 HD11 LEU A 28 -9.179 -2.600 -5.809 1.00 13.03 H new ATOM 0 HD12 LEU A 28 -7.601 -3.387 -5.568 1.00 13.03 H new ATOM 0 HD13 LEU A 28 -8.116 -2.907 -7.203 1.00 13.03 H new ATOM 0 HD21 LEU A 28 -11.037 -3.827 -6.873 1.00 31.21 H new ATOM 0 HD22 LEU A 28 -10.045 -4.182 -8.307 1.00 31.21 H new ATOM 0 HD23 LEU A 28 -10.815 -5.510 -7.407 1.00 31.21 H new ATOM 552 N SER A 36 -9.363 0.653 -10.552 1.00 63.43 N ATOM 553 CA SER A 36 -8.605 1.891 -10.683 1.00 14.34 C ATOM 554 C SER A 36 -7.918 2.249 -9.368 1.00 35.02 C ATOM 555 O SER A 36 -6.789 2.742 -9.358 1.00 34.12 O ATOM 556 CB SER A 36 -9.526 3.034 -11.118 1.00 24.53 C ATOM 557 OG SER A 36 -10.633 3.158 -10.241 1.00 3.32 O ATOM 0 HA SER A 36 -7.839 1.741 -11.444 1.00 14.34 H new ATOM 0 HB2 SER A 36 -8.966 3.969 -11.137 1.00 24.53 H new ATOM 0 HB3 SER A 36 -9.880 2.854 -12.133 1.00 24.53 H new ATOM 0 HG SER A 36 -10.894 2.271 -9.916 1.00 3.32 H new ATOM 563 N LEU A 37 -8.607 1.997 -8.261 1.00 13.12 N ATOM 564 CA LEU A 37 -8.066 2.292 -6.939 1.00 3.45 C ATOM 565 C LEU A 37 -6.743 1.565 -6.718 1.00 31.42 C ATOM 566 O LEU A 37 -5.796 2.128 -6.169 1.00 52.20 O ATOM 567 CB LEU A 37 -9.068 1.893 -5.854 1.00 14.33 C ATOM 568 CG LEU A 37 -8.993 2.684 -4.547 1.00 52.24 C ATOM 569 CD1 LEU A 37 -7.598 2.595 -3.949 1.00 23.31 C ATOM 570 CD2 LEU A 37 -9.384 4.137 -4.780 1.00 31.34 C ATOM 0 H LEU A 37 -9.542 1.589 -8.252 1.00 13.12 H new ATOM 0 HA LEU A 37 -7.885 3.365 -6.879 1.00 3.45 H new ATOM 0 HB2 LEU A 37 -10.074 1.997 -6.261 1.00 14.33 H new ATOM 0 HB3 LEU A 37 -8.924 0.837 -5.625 1.00 14.33 H new ATOM 0 HG LEU A 37 -9.698 2.248 -3.839 1.00 52.24 H new ATOM 0 HD11 LEU A 37 -7.564 3.164 -3.020 1.00 23.31 H new ATOM 0 HD12 LEU A 37 -7.355 1.552 -3.745 1.00 23.31 H new ATOM 0 HD13 LEU A 37 -6.874 3.005 -4.653 1.00 23.31 H new ATOM 0 HD21 LEU A 37 -9.325 4.685 -3.840 1.00 31.34 H new ATOM 0 HD22 LEU A 37 -8.704 4.585 -5.504 1.00 31.34 H new ATOM 0 HD23 LEU A 37 -10.403 4.183 -5.163 1.00 31.34 H new ATOM 582 N LYS A 38 -6.685 0.310 -7.149 1.00 33.41 N ATOM 583 CA LYS A 38 -5.480 -0.496 -7.003 1.00 2.34 C ATOM 584 C LYS A 38 -4.259 0.252 -7.529 1.00 42.42 C ATOM 585 O LYS A 38 -3.136 0.025 -7.077 1.00 74.32 O ATOM 586 CB LYS A 38 -5.636 -1.825 -7.745 1.00 4.13 C ATOM 587 CG LYS A 38 -6.382 -1.703 -9.061 1.00 72.32 C ATOM 588 CD LYS A 38 -6.230 -2.955 -9.908 1.00 62.44 C ATOM 589 CE LYS A 38 -4.850 -3.033 -10.543 1.00 44.04 C ATOM 590 NZ LYS A 38 -4.787 -2.284 -11.828 1.00 54.12 N ATOM 0 H LYS A 38 -7.461 -0.172 -7.603 1.00 33.41 H new ATOM 0 HA LYS A 38 -5.333 -0.696 -5.942 1.00 2.34 H new ATOM 0 HB2 LYS A 38 -4.648 -2.244 -7.935 1.00 4.13 H new ATOM 0 HB3 LYS A 38 -6.163 -2.530 -7.102 1.00 4.13 H new ATOM 0 HG2 LYS A 38 -7.439 -1.521 -8.865 1.00 72.32 H new ATOM 0 HG3 LYS A 38 -6.008 -0.841 -9.614 1.00 72.32 H new ATOM 0 HD2 LYS A 38 -6.398 -3.837 -9.290 1.00 62.44 H new ATOM 0 HD3 LYS A 38 -6.992 -2.963 -10.688 1.00 62.44 H new ATOM 0 HE2 LYS A 38 -4.109 -2.631 -9.852 1.00 44.04 H new ATOM 0 HE3 LYS A 38 -4.589 -4.077 -10.718 1.00 44.04 H new ATOM 0 HZ1 LYS A 38 -3.830 -2.362 -12.229 1.00 54.12 H new ATOM 0 HZ2 LYS A 38 -5.476 -2.683 -12.497 1.00 54.12 H new ATOM 0 HZ3 LYS A 38 -5.011 -1.283 -11.658 1.00 54.12 H new ATOM 604 N LYS A 39 -4.485 1.146 -8.486 1.00 70.33 N ATOM 605 CA LYS A 39 -3.404 1.929 -9.073 1.00 14.05 C ATOM 606 C LYS A 39 -2.577 2.613 -7.988 1.00 32.20 C ATOM 607 O LYS A 39 -1.364 2.771 -8.125 1.00 33.13 O ATOM 608 CB LYS A 39 -3.971 2.977 -10.033 1.00 51.05 C ATOM 609 CG LYS A 39 -4.335 4.288 -9.358 1.00 71.21 C ATOM 610 CD LYS A 39 -4.784 5.330 -10.370 1.00 30.04 C ATOM 611 CE LYS A 39 -6.030 4.881 -11.116 1.00 63.33 C ATOM 612 NZ LYS A 39 -6.428 5.857 -12.168 1.00 41.01 N ATOM 0 H LYS A 39 -5.408 1.346 -8.872 1.00 70.33 H new ATOM 0 HA LYS A 39 -2.755 1.250 -9.626 1.00 14.05 H new ATOM 0 HB2 LYS A 39 -3.239 3.173 -10.817 1.00 51.05 H new ATOM 0 HB3 LYS A 39 -4.858 2.570 -10.519 1.00 51.05 H new ATOM 0 HG2 LYS A 39 -5.131 4.117 -8.633 1.00 71.21 H new ATOM 0 HG3 LYS A 39 -3.475 4.664 -8.804 1.00 71.21 H new ATOM 0 HD2 LYS A 39 -4.984 6.272 -9.860 1.00 30.04 H new ATOM 0 HD3 LYS A 39 -3.980 5.518 -11.082 1.00 30.04 H new ATOM 0 HE2 LYS A 39 -5.849 3.908 -11.573 1.00 63.33 H new ATOM 0 HE3 LYS A 39 -6.850 4.754 -10.410 1.00 63.33 H new ATOM 0 HZ1 LYS A 39 -7.282 5.515 -12.654 1.00 41.01 H new ATOM 0 HZ2 LYS A 39 -6.625 6.779 -11.729 1.00 41.01 H new ATOM 0 HZ3 LYS A 39 -5.655 5.960 -12.857 1.00 41.01 H new ATOM 626 N VAL A 40 -3.242 3.015 -6.909 1.00 11.41 N ATOM 627 CA VAL A 40 -2.568 3.680 -5.800 1.00 51.20 C ATOM 628 C VAL A 40 -1.636 2.720 -5.069 1.00 53.53 C ATOM 629 O VAL A 40 -0.457 3.014 -4.869 1.00 22.02 O ATOM 630 CB VAL A 40 -3.580 4.261 -4.795 1.00 61.03 C ATOM 631 CG1 VAL A 40 -2.929 4.457 -3.434 1.00 42.23 C ATOM 632 CG2 VAL A 40 -4.154 5.569 -5.314 1.00 14.35 C ATOM 0 H VAL A 40 -4.246 2.892 -6.780 1.00 11.41 H new ATOM 0 HA VAL A 40 -1.984 4.495 -6.227 1.00 51.20 H new ATOM 0 HB VAL A 40 -4.400 3.552 -4.680 1.00 61.03 H new ATOM 0 HG11 VAL A 40 -3.659 4.868 -2.737 1.00 42.23 H new ATOM 0 HG12 VAL A 40 -2.571 3.498 -3.060 1.00 42.23 H new ATOM 0 HG13 VAL A 40 -2.089 5.146 -3.528 1.00 42.23 H new ATOM 0 HG21 VAL A 40 -4.867 5.966 -4.591 1.00 14.35 H new ATOM 0 HG22 VAL A 40 -3.348 6.288 -5.460 1.00 14.35 H new ATOM 0 HG23 VAL A 40 -4.659 5.393 -6.264 1.00 14.35 H new ATOM 642 N LEU A 41 -2.172 1.571 -4.674 1.00 22.53 N ATOM 643 CA LEU A 41 -1.388 0.565 -3.964 1.00 71.42 C ATOM 644 C LEU A 41 -0.103 0.243 -4.720 1.00 54.53 C ATOM 645 O LEU A 41 0.994 0.350 -4.173 1.00 41.15 O ATOM 646 CB LEU A 41 -2.212 -0.709 -3.771 1.00 31.10 C ATOM 647 CG LEU A 41 -3.229 -0.684 -2.630 1.00 1.42 C ATOM 648 CD1 LEU A 41 -2.542 -0.370 -1.309 1.00 75.30 C ATOM 649 CD2 LEU A 41 -4.326 0.331 -2.916 1.00 14.22 C ATOM 0 H LEU A 41 -3.146 1.312 -4.833 1.00 22.53 H new ATOM 0 HA LEU A 41 -1.122 0.970 -2.988 1.00 71.42 H new ATOM 0 HB2 LEU A 41 -2.743 -0.919 -4.700 1.00 31.10 H new ATOM 0 HB3 LEU A 41 -1.526 -1.539 -3.602 1.00 31.10 H new ATOM 0 HG LEU A 41 -3.685 -1.671 -2.554 1.00 1.42 H new ATOM 0 HD11 LEU A 41 -3.282 -0.356 -0.508 1.00 75.30 H new ATOM 0 HD12 LEU A 41 -1.793 -1.133 -1.098 1.00 75.30 H new ATOM 0 HD13 LEU A 41 -2.059 0.605 -1.373 1.00 75.30 H new ATOM 0 HD21 LEU A 41 -5.041 0.335 -2.093 1.00 14.22 H new ATOM 0 HD22 LEU A 41 -3.886 1.323 -3.020 1.00 14.22 H new ATOM 0 HD23 LEU A 41 -4.838 0.063 -3.840 1.00 14.22 H new ATOM 661 N GLU A 42 -0.247 -0.149 -5.983 1.00 32.15 N ATOM 662 CA GLU A 42 0.902 -0.484 -6.814 1.00 44.23 C ATOM 663 C GLU A 42 1.894 0.675 -6.866 1.00 55.12 C ATOM 664 O GLU A 42 3.089 0.494 -6.637 1.00 12.32 O ATOM 665 CB GLU A 42 0.448 -0.845 -8.230 1.00 42.51 C ATOM 666 CG GLU A 42 -0.149 -2.238 -8.343 1.00 24.14 C ATOM 667 CD GLU A 42 0.159 -2.899 -9.671 1.00 75.23 C ATOM 668 OE1 GLU A 42 1.270 -3.450 -9.818 1.00 0.23 O ATOM 669 OE2 GLU A 42 -0.712 -2.866 -10.566 1.00 34.24 O ATOM 0 H GLU A 42 -1.148 -0.242 -6.452 1.00 32.15 H new ATOM 0 HA GLU A 42 1.400 -1.345 -6.369 1.00 44.23 H new ATOM 0 HB2 GLU A 42 -0.290 -0.115 -8.563 1.00 42.51 H new ATOM 0 HB3 GLU A 42 1.300 -0.768 -8.906 1.00 42.51 H new ATOM 0 HG2 GLU A 42 0.235 -2.860 -7.534 1.00 24.14 H new ATOM 0 HG3 GLU A 42 -1.230 -2.178 -8.214 1.00 24.14 H new ATOM 676 N ASN A 43 1.386 1.866 -7.169 1.00 61.35 N ATOM 677 CA ASN A 43 2.226 3.055 -7.252 1.00 44.02 C ATOM 678 C ASN A 43 3.077 3.209 -5.996 1.00 23.40 C ATOM 679 O ASN A 43 4.294 3.022 -6.030 1.00 73.22 O ATOM 680 CB ASN A 43 1.363 4.302 -7.453 1.00 61.12 C ATOM 681 CG ASN A 43 1.036 4.549 -8.913 1.00 14.44 C ATOM 682 OD1 ASN A 43 1.397 3.759 -9.784 1.00 73.04 O ATOM 683 ND2 ASN A 43 0.350 5.653 -9.186 1.00 35.50 N ATOM 0 H ASN A 43 0.398 2.033 -7.361 1.00 61.35 H new ATOM 0 HA ASN A 43 2.891 2.940 -8.108 1.00 44.02 H new ATOM 0 HB2 ASN A 43 0.436 4.194 -6.889 1.00 61.12 H new ATOM 0 HB3 ASN A 43 1.883 5.170 -7.048 1.00 61.12 H new ATOM 0 HD21 ASN A 43 0.102 5.874 -10.150 1.00 35.50 H new ATOM 0 HD22 ASN A 43 0.071 6.280 -8.431 1.00 35.50 H new ATOM 690 N TYR A 44 2.429 3.551 -4.887 1.00 61.05 N ATOM 691 CA TYR A 44 3.126 3.731 -3.620 1.00 1.24 C ATOM 692 C TYR A 44 3.994 2.519 -3.297 1.00 61.23 C ATOM 693 O TYR A 44 5.105 2.655 -2.782 1.00 64.43 O ATOM 694 CB TYR A 44 2.122 3.968 -2.490 1.00 54.32 C ATOM 695 CG TYR A 44 1.575 5.378 -2.452 1.00 2.21 C ATOM 696 CD1 TYR A 44 0.464 5.734 -3.205 1.00 75.31 C ATOM 697 CD2 TYR A 44 2.172 6.354 -1.663 1.00 74.10 C ATOM 698 CE1 TYR A 44 -0.039 7.021 -3.174 1.00 23.11 C ATOM 699 CE2 TYR A 44 1.676 7.642 -1.624 1.00 42.33 C ATOM 700 CZ TYR A 44 0.570 7.971 -2.381 1.00 41.45 C ATOM 701 OH TYR A 44 0.074 9.254 -2.346 1.00 42.52 O ATOM 0 H TYR A 44 1.422 3.709 -4.841 1.00 61.05 H new ATOM 0 HA TYR A 44 3.773 4.604 -3.712 1.00 1.24 H new ATOM 0 HB2 TYR A 44 1.293 3.268 -2.599 1.00 54.32 H new ATOM 0 HB3 TYR A 44 2.602 3.748 -1.537 1.00 54.32 H new ATOM 0 HD1 TYR A 44 -0.016 4.992 -3.826 1.00 75.31 H new ATOM 0 HD2 TYR A 44 3.039 6.101 -1.070 1.00 74.10 H new ATOM 0 HE1 TYR A 44 -0.903 7.281 -3.767 1.00 23.11 H new ATOM 0 HE2 TYR A 44 2.151 8.388 -1.004 1.00 42.33 H new ATOM 0 HH TYR A 44 -0.325 9.474 -3.213 1.00 42.52 H new ATOM 711 N LEU A 45 3.479 1.334 -3.603 1.00 61.22 N ATOM 712 CA LEU A 45 4.206 0.095 -3.348 1.00 21.54 C ATOM 713 C LEU A 45 5.563 0.106 -4.043 1.00 22.11 C ATOM 714 O LEU A 45 6.571 -0.302 -3.465 1.00 52.32 O ATOM 715 CB LEU A 45 3.388 -1.108 -3.821 1.00 55.21 C ATOM 716 CG LEU A 45 4.123 -2.447 -3.862 1.00 44.33 C ATOM 717 CD1 LEU A 45 4.822 -2.713 -2.537 1.00 12.31 C ATOM 718 CD2 LEU A 45 3.159 -3.576 -4.195 1.00 31.45 C ATOM 0 H LEU A 45 2.561 1.204 -4.028 1.00 61.22 H new ATOM 0 HA LEU A 45 4.370 0.015 -2.273 1.00 21.54 H new ATOM 0 HB2 LEU A 45 2.522 -1.212 -3.168 1.00 55.21 H new ATOM 0 HB3 LEU A 45 3.009 -0.894 -4.820 1.00 55.21 H new ATOM 0 HG LEU A 45 4.879 -2.400 -4.646 1.00 44.33 H new ATOM 0 HD11 LEU A 45 5.340 -3.671 -2.585 1.00 12.31 H new ATOM 0 HD12 LEU A 45 5.543 -1.920 -2.340 1.00 12.31 H new ATOM 0 HD13 LEU A 45 4.084 -2.739 -1.735 1.00 12.31 H new ATOM 0 HD21 LEU A 45 3.701 -4.522 -4.220 1.00 31.45 H new ATOM 0 HD22 LEU A 45 2.379 -3.624 -3.435 1.00 31.45 H new ATOM 0 HD23 LEU A 45 2.706 -3.392 -5.169 1.00 31.45 H new ATOM 730 N GLU A 46 5.582 0.578 -5.286 1.00 72.41 N ATOM 731 CA GLU A 46 6.816 0.643 -6.060 1.00 31.23 C ATOM 732 C GLU A 46 7.847 1.526 -5.364 1.00 41.31 C ATOM 733 O GLU A 46 9.048 1.259 -5.420 1.00 74.35 O ATOM 734 CB GLU A 46 6.535 1.178 -7.465 1.00 41.01 C ATOM 735 CG GLU A 46 6.246 0.089 -8.485 1.00 31.43 C ATOM 736 CD GLU A 46 5.356 0.568 -9.615 1.00 21.44 C ATOM 737 OE1 GLU A 46 5.448 1.760 -9.978 1.00 23.30 O ATOM 738 OE2 GLU A 46 4.568 -0.248 -10.136 1.00 23.11 O ATOM 0 H GLU A 46 4.757 0.921 -5.778 1.00 72.41 H new ATOM 0 HA GLU A 46 7.220 -0.366 -6.138 1.00 31.23 H new ATOM 0 HB2 GLU A 46 5.685 1.859 -7.422 1.00 41.01 H new ATOM 0 HB3 GLU A 46 7.393 1.760 -7.801 1.00 41.01 H new ATOM 0 HG2 GLU A 46 7.187 -0.275 -8.898 1.00 31.43 H new ATOM 0 HG3 GLU A 46 5.770 -0.754 -7.985 1.00 31.43 H new ATOM 745 N GLU A 47 7.371 2.581 -4.710 1.00 34.14 N ATOM 746 CA GLU A 47 8.251 3.504 -4.004 1.00 53.54 C ATOM 747 C GLU A 47 9.120 2.763 -2.993 1.00 44.20 C ATOM 748 O GLU A 47 10.290 3.097 -2.800 1.00 24.04 O ATOM 749 CB GLU A 47 7.432 4.585 -3.295 1.00 64.31 C ATOM 750 CG GLU A 47 6.489 5.338 -4.218 1.00 1.24 C ATOM 751 CD GLU A 47 7.178 6.467 -4.960 1.00 61.34 C ATOM 752 OE1 GLU A 47 7.473 7.500 -4.325 1.00 1.41 O ATOM 753 OE2 GLU A 47 7.423 6.316 -6.175 1.00 33.10 O ATOM 0 H GLU A 47 6.380 2.817 -4.655 1.00 34.14 H new ATOM 0 HA GLU A 47 8.903 3.977 -4.739 1.00 53.54 H new ATOM 0 HB2 GLU A 47 6.853 4.124 -2.495 1.00 64.31 H new ATOM 0 HB3 GLU A 47 8.113 5.296 -2.826 1.00 64.31 H new ATOM 0 HG2 GLU A 47 6.060 4.642 -4.939 1.00 1.24 H new ATOM 0 HG3 GLU A 47 5.662 5.743 -3.635 1.00 1.24 H new ATOM 760 N LEU A 48 8.540 1.755 -2.351 1.00 61.02 N ATOM 761 CA LEU A 48 9.260 0.965 -1.358 1.00 5.11 C ATOM 762 C LEU A 48 10.514 0.341 -1.964 1.00 30.52 C ATOM 763 O LEU A 48 11.552 0.247 -1.309 1.00 44.40 O ATOM 764 CB LEU A 48 8.354 -0.130 -0.793 1.00 72.33 C ATOM 765 CG LEU A 48 7.235 0.339 0.139 1.00 44.42 C ATOM 766 CD1 LEU A 48 5.915 -0.310 -0.244 1.00 55.40 C ATOM 767 CD2 LEU A 48 7.584 0.029 1.588 1.00 73.15 C ATOM 0 H LEU A 48 7.573 1.465 -2.500 1.00 61.02 H new ATOM 0 HA LEU A 48 9.562 1.631 -0.549 1.00 5.11 H new ATOM 0 HB2 LEU A 48 7.903 -0.667 -1.627 1.00 72.33 H new ATOM 0 HB3 LEU A 48 8.975 -0.844 -0.252 1.00 72.33 H new ATOM 0 HG LEU A 48 7.129 1.419 0.035 1.00 44.42 H new ATOM 0 HD11 LEU A 48 5.131 0.035 0.430 1.00 55.40 H new ATOM 0 HD12 LEU A 48 5.659 -0.038 -1.268 1.00 55.40 H new ATOM 0 HD13 LEU A 48 6.007 -1.394 -0.169 1.00 55.40 H new ATOM 0 HD21 LEU A 48 6.777 0.369 2.237 1.00 73.15 H new ATOM 0 HD22 LEU A 48 7.718 -1.046 1.708 1.00 73.15 H new ATOM 0 HD23 LEU A 48 8.507 0.542 1.858 1.00 73.15 H new ATOM 779 N LYS A 49 10.410 -0.083 -3.219 1.00 0.13 N ATOM 780 CA LYS A 49 11.535 -0.695 -3.916 1.00 31.52 C ATOM 781 C LYS A 49 12.621 0.336 -4.207 1.00 10.51 C ATOM 782 O LYS A 49 13.799 -0.003 -4.311 1.00 2.31 O ATOM 783 CB LYS A 49 11.063 -1.337 -5.222 1.00 63.03 C ATOM 784 CG LYS A 49 10.194 -2.566 -5.017 1.00 21.34 C ATOM 785 CD LYS A 49 8.746 -2.187 -4.756 1.00 23.13 C ATOM 786 CE LYS A 49 7.795 -2.972 -5.646 1.00 0.42 C ATOM 787 NZ LYS A 49 8.057 -4.437 -5.581 1.00 35.53 N ATOM 0 H LYS A 49 9.557 -0.014 -3.775 1.00 0.13 H new ATOM 0 HA LYS A 49 11.955 -1.466 -3.270 1.00 31.52 H new ATOM 0 HB2 LYS A 49 10.504 -0.600 -5.798 1.00 63.03 H new ATOM 0 HB3 LYS A 49 11.934 -1.613 -5.817 1.00 63.03 H new ATOM 0 HG2 LYS A 49 10.251 -3.204 -5.899 1.00 21.34 H new ATOM 0 HG3 LYS A 49 10.576 -3.147 -4.178 1.00 21.34 H new ATOM 0 HD2 LYS A 49 8.503 -2.372 -3.710 1.00 23.13 H new ATOM 0 HD3 LYS A 49 8.611 -1.119 -4.930 1.00 23.13 H new ATOM 0 HE2 LYS A 49 6.767 -2.773 -5.344 1.00 0.42 H new ATOM 0 HE3 LYS A 49 7.896 -2.630 -6.676 1.00 0.42 H new ATOM 0 HZ1 LYS A 49 7.170 -4.956 -5.743 1.00 35.53 H new ATOM 0 HZ2 LYS A 49 8.750 -4.698 -6.311 1.00 35.53 H new ATOM 0 HZ3 LYS A 49 8.434 -4.681 -4.643 1.00 35.53 H new ATOM 801 N GLN A 50 12.215 1.595 -4.336 1.00 55.32 N ATOM 802 CA GLN A 50 13.155 2.675 -4.615 1.00 20.03 C ATOM 803 C GLN A 50 13.909 3.079 -3.353 1.00 63.13 C ATOM 804 O GLN A 50 13.488 2.769 -2.238 1.00 10.30 O ATOM 805 CB GLN A 50 12.418 3.885 -5.192 1.00 11.14 C ATOM 806 CG GLN A 50 11.507 3.542 -6.360 1.00 3.31 C ATOM 807 CD GLN A 50 12.262 2.959 -7.537 1.00 42.34 C ATOM 808 OE1 GLN A 50 13.434 3.273 -7.756 1.00 75.31 O ATOM 809 NE2 GLN A 50 11.596 2.104 -8.304 1.00 33.24 N ATOM 0 H GLN A 50 11.243 1.892 -4.252 1.00 55.32 H new ATOM 0 HA GLN A 50 13.877 2.315 -5.348 1.00 20.03 H new ATOM 0 HB2 GLN A 50 11.825 4.349 -4.404 1.00 11.14 H new ATOM 0 HB3 GLN A 50 13.150 4.624 -5.518 1.00 11.14 H new ATOM 0 HG2 GLN A 50 10.751 2.830 -6.029 1.00 3.31 H new ATOM 0 HG3 GLN A 50 10.980 4.440 -6.681 1.00 3.31 H new ATOM 0 HE21 GLN A 50 10.627 1.872 -8.087 1.00 33.24 H new ATOM 0 HE22 GLN A 50 12.054 1.679 -9.111 1.00 33.24 H new ATOM 818 N LYS A 51 15.028 3.772 -3.535 1.00 53.14 N ATOM 819 CA LYS A 51 15.843 4.220 -2.412 1.00 1.24 C ATOM 820 C LYS A 51 15.652 5.713 -2.162 1.00 42.22 C ATOM 821 O LYS A 51 16.387 6.321 -1.384 1.00 45.04 O ATOM 822 CB LYS A 51 17.320 3.921 -2.675 1.00 43.54 C ATOM 823 CG LYS A 51 17.800 4.381 -4.041 1.00 71.32 C ATOM 824 CD LYS A 51 19.317 4.404 -4.121 1.00 42.00 C ATOM 825 CE LYS A 51 19.895 5.596 -3.374 1.00 24.25 C ATOM 826 NZ LYS A 51 19.453 6.889 -3.964 1.00 13.41 N ATOM 0 H LYS A 51 15.392 4.036 -4.451 1.00 53.14 H new ATOM 0 HA LYS A 51 15.522 3.677 -1.523 1.00 1.24 H new ATOM 0 HB2 LYS A 51 17.922 4.404 -1.906 1.00 43.54 H new ATOM 0 HB3 LYS A 51 17.487 2.848 -2.583 1.00 43.54 H new ATOM 0 HG2 LYS A 51 17.404 3.717 -4.809 1.00 71.32 H new ATOM 0 HG3 LYS A 51 17.409 5.377 -4.249 1.00 71.32 H new ATOM 0 HD2 LYS A 51 19.719 3.481 -3.703 1.00 42.00 H new ATOM 0 HD3 LYS A 51 19.627 4.442 -5.165 1.00 42.00 H new ATOM 0 HE2 LYS A 51 19.591 5.551 -2.328 1.00 24.25 H new ATOM 0 HE3 LYS A 51 20.984 5.542 -3.392 1.00 24.25 H new ATOM 0 HZ1 LYS A 51 20.123 7.639 -3.698 1.00 13.41 H new ATOM 0 HZ2 LYS A 51 19.421 6.805 -5.000 1.00 13.41 H new ATOM 0 HZ3 LYS A 51 18.506 7.128 -3.606 1.00 13.41 H new ATOM 840 N SER A 52 14.659 6.297 -2.826 1.00 24.11 N ATOM 841 CA SER A 52 14.373 7.719 -2.677 1.00 44.43 C ATOM 842 C SER A 52 13.475 7.970 -1.471 1.00 31.33 C ATOM 843 O SER A 52 13.928 8.457 -0.436 1.00 50.31 O ATOM 844 CB SER A 52 13.709 8.263 -3.944 1.00 21.21 C ATOM 845 OG SER A 52 13.193 9.565 -3.731 1.00 53.41 O ATOM 0 H SER A 52 14.040 5.807 -3.472 1.00 24.11 H new ATOM 0 HA SER A 52 15.318 8.239 -2.518 1.00 44.43 H new ATOM 0 HB2 SER A 52 14.434 8.284 -4.758 1.00 21.21 H new ATOM 0 HB3 SER A 52 12.904 7.595 -4.252 1.00 21.21 H new ATOM 0 HG SER A 52 12.776 9.890 -4.556 1.00 53.41 H new ATOM 851 N ALA A 53 12.197 7.632 -1.613 1.00 12.41 N ATOM 852 CA ALA A 53 11.234 7.819 -0.534 1.00 74.14 C ATOM 853 C ALA A 53 11.440 6.788 0.570 1.00 44.31 C ATOM 854 O ALA A 53 11.697 5.616 0.297 1.00 21.42 O ATOM 855 CB ALA A 53 9.814 7.738 -1.076 1.00 21.54 C ATOM 0 H ALA A 53 11.805 7.228 -2.464 1.00 12.41 H new ATOM 0 HA ALA A 53 11.393 8.808 -0.105 1.00 74.14 H new ATOM 0 HB1 ALA A 53 9.105 7.879 -0.261 1.00 21.54 H new ATOM 0 HB2 ALA A 53 9.665 8.516 -1.825 1.00 21.54 H new ATOM 0 HB3 ALA A 53 9.654 6.761 -1.531 1.00 21.54 H new ATOM 861 N SER A 54 11.327 7.233 1.817 1.00 13.24 N ATOM 862 CA SER A 54 11.506 6.350 2.963 1.00 72.51 C ATOM 863 C SER A 54 10.284 5.456 3.157 1.00 0.34 C ATOM 864 O SER A 54 9.178 5.797 2.736 1.00 41.54 O ATOM 865 CB SER A 54 11.759 7.168 4.231 1.00 42.14 C ATOM 866 OG SER A 54 12.369 8.410 3.922 1.00 73.11 O ATOM 0 H SER A 54 11.112 8.200 2.059 1.00 13.24 H new ATOM 0 HA SER A 54 12.372 5.717 2.769 1.00 72.51 H new ATOM 0 HB2 SER A 54 10.816 7.341 4.750 1.00 42.14 H new ATOM 0 HB3 SER A 54 12.398 6.604 4.910 1.00 42.14 H new ATOM 0 HG SER A 54 12.519 8.915 4.748 1.00 73.11 H new ATOM 872 N VAL A 55 10.492 4.310 3.798 1.00 52.53 N ATOM 873 CA VAL A 55 9.408 3.367 4.049 1.00 41.54 C ATOM 874 C VAL A 55 8.220 4.059 4.707 1.00 3.00 C ATOM 875 O VAL A 55 7.099 4.040 4.198 1.00 2.32 O ATOM 876 CB VAL A 55 9.873 2.205 4.944 1.00 25.45 C ATOM 877 CG1 VAL A 55 8.720 1.688 5.791 1.00 15.41 C ATOM 878 CG2 VAL A 55 10.469 1.088 4.101 1.00 22.22 C ATOM 0 H VAL A 55 11.401 4.012 4.153 1.00 52.53 H new ATOM 0 HA VAL A 55 9.102 2.970 3.081 1.00 41.54 H new ATOM 0 HB VAL A 55 10.648 2.575 5.615 1.00 25.45 H new ATOM 0 HG11 VAL A 55 9.068 0.867 6.417 1.00 15.41 H new ATOM 0 HG12 VAL A 55 8.344 2.492 6.423 1.00 15.41 H new ATOM 0 HG13 VAL A 55 7.920 1.334 5.140 1.00 15.41 H new ATOM 0 HG21 VAL A 55 10.792 0.275 4.751 1.00 22.22 H new ATOM 0 HG22 VAL A 55 9.718 0.718 3.403 1.00 22.22 H new ATOM 0 HG23 VAL A 55 11.325 1.470 3.544 1.00 22.22 H new ATOM 888 N PRO A 56 8.468 4.685 5.867 1.00 10.43 N ATOM 889 CA PRO A 56 7.431 5.396 6.620 1.00 13.01 C ATOM 890 C PRO A 56 6.974 6.670 5.917 1.00 12.21 C ATOM 891 O PRO A 56 5.941 7.245 6.261 1.00 1.24 O ATOM 892 CB PRO A 56 8.123 5.735 7.943 1.00 10.02 C ATOM 893 CG PRO A 56 9.575 5.773 7.613 1.00 54.31 C ATOM 894 CD PRO A 56 9.781 4.749 6.532 1.00 53.01 C ATOM 0 HA PRO A 56 6.528 4.796 6.736 1.00 13.01 H new ATOM 0 HB2 PRO A 56 7.781 6.693 8.334 1.00 10.02 H new ATOM 0 HB3 PRO A 56 7.910 4.985 8.705 1.00 10.02 H new ATOM 0 HG2 PRO A 56 9.872 6.765 7.272 1.00 54.31 H new ATOM 0 HG3 PRO A 56 10.181 5.542 8.489 1.00 54.31 H new ATOM 0 HD2 PRO A 56 10.568 5.048 5.840 1.00 53.01 H new ATOM 0 HD3 PRO A 56 10.070 3.782 6.944 1.00 53.01 H new ATOM 902 N LEU A 57 7.749 7.106 4.930 1.00 2.11 N ATOM 903 CA LEU A 57 7.423 8.313 4.177 1.00 62.13 C ATOM 904 C LEU A 57 6.407 8.012 3.080 1.00 64.12 C ATOM 905 O LEU A 57 5.577 8.856 2.742 1.00 70.23 O ATOM 906 CB LEU A 57 8.690 8.913 3.565 1.00 23.32 C ATOM 907 CG LEU A 57 9.305 10.094 4.317 1.00 33.31 C ATOM 908 CD1 LEU A 57 8.399 11.313 4.228 1.00 23.33 C ATOM 909 CD2 LEU A 57 9.563 9.724 5.771 1.00 70.04 C ATOM 0 H LEU A 57 8.607 6.642 4.632 1.00 2.11 H new ATOM 0 HA LEU A 57 6.983 9.034 4.866 1.00 62.13 H new ATOM 0 HB2 LEU A 57 9.440 8.126 3.489 1.00 23.32 H new ATOM 0 HB3 LEU A 57 8.461 9.235 2.549 1.00 23.32 H new ATOM 0 HG LEU A 57 10.259 10.341 3.851 1.00 33.31 H new ATOM 0 HD11 LEU A 57 8.853 12.144 4.769 1.00 23.33 H new ATOM 0 HD12 LEU A 57 8.264 11.591 3.183 1.00 23.33 H new ATOM 0 HD13 LEU A 57 7.430 11.079 4.669 1.00 23.33 H new ATOM 0 HD21 LEU A 57 10.001 10.576 6.291 1.00 70.04 H new ATOM 0 HD22 LEU A 57 8.622 9.451 6.249 1.00 70.04 H new ATOM 0 HD23 LEU A 57 10.251 8.880 5.815 1.00 70.04 H new ATOM 921 N ILE A 58 6.478 6.804 2.530 1.00 12.01 N ATOM 922 CA ILE A 58 5.562 6.391 1.473 1.00 1.24 C ATOM 923 C ILE A 58 4.229 5.930 2.052 1.00 54.45 C ATOM 924 O ILE A 58 3.163 6.297 1.553 1.00 3.32 O ATOM 925 CB ILE A 58 6.160 5.256 0.623 1.00 43.45 C ATOM 926 CG1 ILE A 58 7.489 5.698 0.005 1.00 62.34 C ATOM 927 CG2 ILE A 58 5.180 4.834 -0.461 1.00 55.44 C ATOM 928 CD1 ILE A 58 8.508 4.585 -0.096 1.00 23.31 C ATOM 0 H ILE A 58 7.160 6.095 2.799 1.00 12.01 H new ATOM 0 HA ILE A 58 5.398 7.261 0.838 1.00 1.24 H new ATOM 0 HB ILE A 58 6.349 4.399 1.269 1.00 43.45 H new ATOM 0 HG12 ILE A 58 7.302 6.100 -0.991 1.00 62.34 H new ATOM 0 HG13 ILE A 58 7.906 6.509 0.602 1.00 62.34 H new ATOM 0 HG21 ILE A 58 5.617 4.031 -1.054 1.00 55.44 H new ATOM 0 HG22 ILE A 58 4.256 4.484 -0.000 1.00 55.44 H new ATOM 0 HG23 ILE A 58 4.963 5.685 -1.107 1.00 55.44 H new ATOM 0 HD11 ILE A 58 9.425 4.970 -0.543 1.00 23.31 H new ATOM 0 HD12 ILE A 58 8.724 4.198 0.900 1.00 23.31 H new ATOM 0 HD13 ILE A 58 8.110 3.783 -0.718 1.00 23.31 H new ATOM 940 N LEU A 59 4.294 5.126 3.106 1.00 41.24 N ATOM 941 CA LEU A 59 3.091 4.615 3.755 1.00 52.32 C ATOM 942 C LEU A 59 2.205 5.759 4.237 1.00 4.43 C ATOM 943 O LEU A 59 0.982 5.706 4.114 1.00 21.33 O ATOM 944 CB LEU A 59 3.465 3.713 4.932 1.00 64.11 C ATOM 945 CG LEU A 59 4.308 2.483 4.593 1.00 51.22 C ATOM 946 CD1 LEU A 59 4.796 1.804 5.863 1.00 1.23 C ATOM 947 CD2 LEU A 59 3.510 1.509 3.739 1.00 74.12 C ATOM 0 H LEU A 59 5.167 4.813 3.531 1.00 41.24 H new ATOM 0 HA LEU A 59 2.533 4.032 3.022 1.00 52.32 H new ATOM 0 HB2 LEU A 59 4.008 4.311 5.664 1.00 64.11 H new ATOM 0 HB3 LEU A 59 2.546 3.378 5.413 1.00 64.11 H new ATOM 0 HG LEU A 59 5.178 2.808 4.022 1.00 51.22 H new ATOM 0 HD11 LEU A 59 5.394 0.931 5.602 1.00 1.23 H new ATOM 0 HD12 LEU A 59 5.405 2.502 6.438 1.00 1.23 H new ATOM 0 HD13 LEU A 59 3.940 1.492 6.461 1.00 1.23 H new ATOM 0 HD21 LEU A 59 4.125 0.640 3.507 1.00 74.12 H new ATOM 0 HD22 LEU A 59 2.622 1.190 4.285 1.00 74.12 H new ATOM 0 HD23 LEU A 59 3.210 1.999 2.812 1.00 74.12 H new ATOM 959 N SER A 60 2.833 6.795 4.786 1.00 14.12 N ATOM 960 CA SER A 60 2.101 7.953 5.289 1.00 25.43 C ATOM 961 C SER A 60 1.252 8.578 4.188 1.00 0.35 C ATOM 962 O SER A 60 0.032 8.688 4.317 1.00 0.41 O ATOM 963 CB SER A 60 3.074 8.990 5.853 1.00 13.32 C ATOM 964 OG SER A 60 2.463 10.267 5.940 1.00 41.03 O ATOM 0 H SER A 60 3.845 6.856 4.894 1.00 14.12 H new ATOM 0 HA SER A 60 1.438 7.617 6.086 1.00 25.43 H new ATOM 0 HB2 SER A 60 3.412 8.677 6.841 1.00 13.32 H new ATOM 0 HB3 SER A 60 3.957 9.048 5.217 1.00 13.32 H new ATOM 0 HG SER A 60 3.104 10.912 6.305 1.00 41.03 H new ATOM 970 N ARG A 61 1.905 8.989 3.106 1.00 64.54 N ATOM 971 CA ARG A 61 1.211 9.605 1.982 1.00 3.43 C ATOM 972 C ARG A 61 0.232 8.625 1.343 1.00 52.01 C ATOM 973 O ARG A 61 -0.867 9.003 0.941 1.00 13.34 O ATOM 974 CB ARG A 61 2.218 10.090 0.937 1.00 4.25 C ATOM 975 CG ARG A 61 2.738 11.495 1.200 1.00 73.13 C ATOM 976 CD ARG A 61 3.380 11.604 2.574 1.00 72.03 C ATOM 977 NE ARG A 61 3.834 12.962 2.859 1.00 4.32 N ATOM 978 CZ ARG A 61 4.891 13.521 2.279 1.00 34.34 C ATOM 979 NH1 ARG A 61 5.597 12.842 1.386 1.00 35.40 N ATOM 980 NH2 ARG A 61 5.241 14.762 2.591 1.00 21.34 N ATOM 0 H ARG A 61 2.914 8.906 2.984 1.00 64.54 H new ATOM 0 HA ARG A 61 0.649 10.459 2.360 1.00 3.43 H new ATOM 0 HB2 ARG A 61 3.061 9.399 0.908 1.00 4.25 H new ATOM 0 HB3 ARG A 61 1.750 10.063 -0.047 1.00 4.25 H new ATOM 0 HG2 ARG A 61 3.466 11.764 0.435 1.00 73.13 H new ATOM 0 HG3 ARG A 61 1.917 12.208 1.123 1.00 73.13 H new ATOM 0 HD2 ARG A 61 2.663 11.294 3.335 1.00 72.03 H new ATOM 0 HD3 ARG A 61 4.226 10.919 2.635 1.00 72.03 H new ATOM 0 HE ARG A 61 3.311 13.512 3.541 1.00 4.32 H new ATOM 0 HH11 ARG A 61 5.329 11.888 1.143 1.00 35.40 H new ATOM 0 HH12 ARG A 61 6.408 13.273 0.942 1.00 35.40 H new ATOM 0 HH21 ARG A 61 4.699 15.288 3.276 1.00 21.34 H new ATOM 0 HH22 ARG A 61 6.052 15.190 2.145 1.00 21.34 H new ATOM 994 N MET A 62 0.640 7.363 1.253 1.00 1.53 N ATOM 995 CA MET A 62 -0.201 6.328 0.664 1.00 71.05 C ATOM 996 C MET A 62 -1.577 6.306 1.323 1.00 52.35 C ATOM 997 O MET A 62 -2.596 6.508 0.662 1.00 44.44 O ATOM 998 CB MET A 62 0.466 4.959 0.801 1.00 30.44 C ATOM 999 CG MET A 62 -0.222 3.865 0.000 1.00 64.24 C ATOM 1000 SD MET A 62 0.621 2.275 0.130 1.00 14.25 S ATOM 1001 CE MET A 62 0.058 1.726 1.740 1.00 62.33 C ATOM 0 H MET A 62 1.548 7.033 1.581 1.00 1.53 H new ATOM 0 HA MET A 62 -0.328 6.556 -0.394 1.00 71.05 H new ATOM 0 HB2 MET A 62 1.504 5.036 0.478 1.00 30.44 H new ATOM 0 HB3 MET A 62 0.479 4.674 1.853 1.00 30.44 H new ATOM 0 HG2 MET A 62 -1.249 3.757 0.348 1.00 64.24 H new ATOM 0 HG3 MET A 62 -0.270 4.162 -1.048 1.00 64.24 H new ATOM 0 HE1 MET A 62 0.910 1.382 2.326 1.00 62.33 H new ATOM 0 HE2 MET A 62 -0.428 2.553 2.257 1.00 62.33 H new ATOM 0 HE3 MET A 62 -0.652 0.908 1.618 1.00 62.33 H new ATOM 1011 N ASN A 63 -1.599 6.058 2.628 1.00 50.21 N ATOM 1012 CA ASN A 63 -2.850 6.008 3.376 1.00 40.03 C ATOM 1013 C ASN A 63 -3.672 7.273 3.147 1.00 4.52 C ATOM 1014 O ASN A 63 -4.864 7.207 2.847 1.00 51.25 O ATOM 1015 CB ASN A 63 -2.569 5.832 4.869 1.00 23.11 C ATOM 1016 CG ASN A 63 -3.761 5.269 5.619 1.00 35.32 C ATOM 1017 OD1 ASN A 63 -4.877 5.235 5.098 1.00 65.33 O ATOM 1018 ND2 ASN A 63 -3.531 4.825 6.849 1.00 4.12 N ATOM 0 H ASN A 63 -0.765 5.888 3.190 1.00 50.21 H new ATOM 0 HA ASN A 63 -3.424 5.153 3.018 1.00 40.03 H new ATOM 0 HB2 ASN A 63 -1.714 5.168 4.999 1.00 23.11 H new ATOM 0 HB3 ASN A 63 -2.293 6.794 5.300 1.00 23.11 H new ATOM 0 HD21 ASN A 63 -4.295 4.436 7.402 1.00 4.12 H new ATOM 0 HD22 ASN A 63 -2.590 4.873 7.241 1.00 4.12 H new ATOM 1025 N LEU A 64 -3.025 8.425 3.291 1.00 51.24 N ATOM 1026 CA LEU A 64 -3.695 9.707 3.099 1.00 2.43 C ATOM 1027 C LEU A 64 -4.186 9.855 1.663 1.00 35.20 C ATOM 1028 O LEU A 64 -5.061 10.674 1.377 1.00 30.32 O ATOM 1029 CB LEU A 64 -2.746 10.856 3.446 1.00 53.41 C ATOM 1030 CG LEU A 64 -2.713 11.279 4.915 1.00 32.21 C ATOM 1031 CD1 LEU A 64 -4.017 11.959 5.305 1.00 70.10 C ATOM 1032 CD2 LEU A 64 -2.450 10.077 5.810 1.00 43.10 C ATOM 0 H LEU A 64 -2.038 8.498 3.540 1.00 51.24 H new ATOM 0 HA LEU A 64 -4.558 9.742 3.764 1.00 2.43 H new ATOM 0 HB2 LEU A 64 -1.737 10.570 3.148 1.00 53.41 H new ATOM 0 HB3 LEU A 64 -3.022 11.723 2.845 1.00 53.41 H new ATOM 0 HG LEU A 64 -1.900 11.993 5.049 1.00 32.21 H new ATOM 0 HD11 LEU A 64 -3.975 12.253 6.354 1.00 70.10 H new ATOM 0 HD12 LEU A 64 -4.165 12.844 4.686 1.00 70.10 H new ATOM 0 HD13 LEU A 64 -4.847 11.268 5.155 1.00 70.10 H new ATOM 0 HD21 LEU A 64 -2.430 10.397 6.852 1.00 43.10 H new ATOM 0 HD22 LEU A 64 -3.241 9.340 5.672 1.00 43.10 H new ATOM 0 HD23 LEU A 64 -1.490 9.632 5.548 1.00 43.10 H new ATOM 1044 N ASP A 65 -3.621 9.057 0.764 1.00 34.40 N ATOM 1045 CA ASP A 65 -4.005 9.097 -0.642 1.00 32.11 C ATOM 1046 C ASP A 65 -5.177 8.157 -0.913 1.00 3.14 C ATOM 1047 O ASP A 65 -6.131 8.521 -1.600 1.00 12.33 O ATOM 1048 CB ASP A 65 -2.818 8.719 -1.528 1.00 3.52 C ATOM 1049 CG ASP A 65 -2.966 9.233 -2.947 1.00 35.02 C ATOM 1050 OD1 ASP A 65 -3.654 8.567 -3.750 1.00 2.33 O ATOM 1051 OD2 ASP A 65 -2.397 10.301 -3.253 1.00 23.11 O ATOM 0 H ASP A 65 -2.895 8.375 0.984 1.00 34.40 H new ATOM 0 HA ASP A 65 -4.316 10.115 -0.879 1.00 32.11 H new ATOM 0 HB2 ASP A 65 -1.902 9.120 -1.093 1.00 3.52 H new ATOM 0 HB3 ASP A 65 -2.714 7.634 -1.547 1.00 3.52 H new ATOM 1056 N ILE A 66 -5.095 6.947 -0.369 1.00 71.30 N ATOM 1057 CA ILE A 66 -6.148 5.955 -0.551 1.00 52.45 C ATOM 1058 C ILE A 66 -7.468 6.441 0.036 1.00 15.33 C ATOM 1059 O ILE A 66 -8.501 6.426 -0.634 1.00 22.12 O ATOM 1060 CB ILE A 66 -5.773 4.610 0.098 1.00 52.15 C ATOM 1061 CG1 ILE A 66 -4.481 4.066 -0.516 1.00 21.24 C ATOM 1062 CG2 ILE A 66 -6.907 3.610 -0.067 1.00 31.52 C ATOM 1063 CD1 ILE A 66 -4.010 2.774 0.116 1.00 51.14 C ATOM 0 H ILE A 66 -4.311 6.630 0.201 1.00 71.30 H new ATOM 0 HA ILE A 66 -6.263 5.810 -1.625 1.00 52.45 H new ATOM 0 HB ILE A 66 -5.607 4.770 1.163 1.00 52.15 H new ATOM 0 HG12 ILE A 66 -4.635 3.904 -1.583 1.00 21.24 H new ATOM 0 HG13 ILE A 66 -3.697 4.817 -0.417 1.00 21.24 H new ATOM 0 HG21 ILE A 66 -6.628 2.664 0.397 1.00 31.52 H new ATOM 0 HG22 ILE A 66 -7.806 3.997 0.412 1.00 31.52 H new ATOM 0 HG23 ILE A 66 -7.101 3.451 -1.128 1.00 31.52 H new ATOM 0 HD11 ILE A 66 -3.090 2.446 -0.368 1.00 51.14 H new ATOM 0 HD12 ILE A 66 -3.824 2.935 1.178 1.00 51.14 H new ATOM 0 HD13 ILE A 66 -4.776 2.009 -0.006 1.00 51.14 H new ATOM 1075 N SER A 67 -7.427 6.873 1.293 1.00 24.11 N ATOM 1076 CA SER A 67 -8.620 7.361 1.973 1.00 1.04 C ATOM 1077 C SER A 67 -9.289 8.470 1.167 1.00 31.13 C ATOM 1078 O SER A 67 -10.516 8.559 1.111 1.00 1.44 O ATOM 1079 CB SER A 67 -8.263 7.875 3.370 1.00 62.12 C ATOM 1080 OG SER A 67 -9.201 8.841 3.812 1.00 5.41 O ATOM 0 H SER A 67 -6.580 6.895 1.861 1.00 24.11 H new ATOM 0 HA SER A 67 -9.320 6.531 2.067 1.00 1.04 H new ATOM 0 HB2 SER A 67 -8.236 7.042 4.072 1.00 62.12 H new ATOM 0 HB3 SER A 67 -7.265 8.312 3.356 1.00 62.12 H new ATOM 0 HG SER A 67 -8.952 9.153 4.707 1.00 5.41 H new ATOM 1086 N LYS A 68 -8.475 9.314 0.544 1.00 64.14 N ATOM 1087 CA LYS A 68 -8.985 10.418 -0.262 1.00 24.40 C ATOM 1088 C LYS A 68 -9.713 9.898 -1.497 1.00 63.12 C ATOM 1089 O LYS A 68 -10.781 10.393 -1.854 1.00 14.42 O ATOM 1090 CB LYS A 68 -7.840 11.342 -0.681 1.00 64.41 C ATOM 1091 CG LYS A 68 -7.771 12.629 0.122 1.00 63.51 C ATOM 1092 CD LYS A 68 -6.604 13.498 -0.317 1.00 33.24 C ATOM 1093 CE LYS A 68 -6.987 14.400 -1.479 1.00 53.34 C ATOM 1094 NZ LYS A 68 -5.800 15.073 -2.074 1.00 41.31 N ATOM 0 H LYS A 68 -7.457 9.255 0.581 1.00 64.14 H new ATOM 0 HA LYS A 68 -9.694 10.982 0.345 1.00 24.40 H new ATOM 0 HB2 LYS A 68 -6.896 10.807 -0.576 1.00 64.41 H new ATOM 0 HB3 LYS A 68 -7.951 11.588 -1.737 1.00 64.41 H new ATOM 0 HG2 LYS A 68 -8.703 13.183 0.005 1.00 63.51 H new ATOM 0 HG3 LYS A 68 -7.672 12.393 1.182 1.00 63.51 H new ATOM 0 HD2 LYS A 68 -6.267 14.107 0.522 1.00 33.24 H new ATOM 0 HD3 LYS A 68 -5.766 12.864 -0.608 1.00 33.24 H new ATOM 0 HE2 LYS A 68 -7.492 13.811 -2.245 1.00 53.34 H new ATOM 0 HE3 LYS A 68 -7.697 15.153 -1.136 1.00 53.34 H new ATOM 0 HZ1 LYS A 68 -6.104 15.679 -2.863 1.00 41.31 H new ATOM 0 HZ2 LYS A 68 -5.332 15.655 -1.350 1.00 41.31 H new ATOM 0 HZ3 LYS A 68 -5.134 14.356 -2.425 1.00 41.31 H new ATOM 1108 N ALA A 69 -9.127 8.896 -2.146 1.00 12.40 N ATOM 1109 CA ALA A 69 -9.722 8.308 -3.340 1.00 43.10 C ATOM 1110 C ALA A 69 -11.124 7.781 -3.052 1.00 45.40 C ATOM 1111 O ALA A 69 -11.927 7.596 -3.966 1.00 22.11 O ATOM 1112 CB ALA A 69 -8.836 7.193 -3.876 1.00 14.12 C ATOM 0 H ALA A 69 -8.241 8.475 -1.865 1.00 12.40 H new ATOM 0 HA ALA A 69 -9.804 9.088 -4.097 1.00 43.10 H new ATOM 0 HB1 ALA A 69 -9.292 6.763 -4.768 1.00 14.12 H new ATOM 0 HB2 ALA A 69 -7.856 7.597 -4.129 1.00 14.12 H new ATOM 0 HB3 ALA A 69 -8.725 6.420 -3.116 1.00 14.12 H new ATOM 1118 N ILE A 70 -11.409 7.540 -1.776 1.00 52.40 N ATOM 1119 CA ILE A 70 -12.714 7.034 -1.369 1.00 52.42 C ATOM 1120 C ILE A 70 -13.792 8.100 -1.533 1.00 73.23 C ATOM 1121 O ILE A 70 -14.670 7.983 -2.389 1.00 62.23 O ATOM 1122 CB ILE A 70 -12.701 6.556 0.094 1.00 63.31 C ATOM 1123 CG1 ILE A 70 -11.434 5.745 0.377 1.00 61.51 C ATOM 1124 CG2 ILE A 70 -13.942 5.730 0.393 1.00 73.44 C ATOM 1125 CD1 ILE A 70 -11.430 5.084 1.738 1.00 54.44 C ATOM 0 H ILE A 70 -10.754 7.687 -1.008 1.00 52.40 H new ATOM 0 HA ILE A 70 -12.940 6.188 -2.018 1.00 52.42 H new ATOM 0 HB ILE A 70 -12.705 7.430 0.746 1.00 63.31 H new ATOM 0 HG12 ILE A 70 -11.324 4.979 -0.390 1.00 61.51 H new ATOM 0 HG13 ILE A 70 -10.567 6.401 0.298 1.00 61.51 H new ATOM 0 HG21 ILE A 70 -13.918 5.400 1.431 1.00 73.44 H new ATOM 0 HG22 ILE A 70 -14.832 6.337 0.226 1.00 73.44 H new ATOM 0 HG23 ILE A 70 -13.967 4.861 -0.264 1.00 73.44 H new ATOM 0 HD11 ILE A 70 -10.502 4.527 1.869 1.00 54.44 H new ATOM 0 HD12 ILE A 70 -11.508 5.846 2.513 1.00 54.44 H new ATOM 0 HD13 ILE A 70 -12.277 4.402 1.814 1.00 54.44 H new ATOM 1137 N ARG A 71 -13.719 9.140 -0.709 1.00 75.32 N ATOM 1138 CA ARG A 71 -14.690 10.227 -0.764 1.00 30.50 C ATOM 1139 C ARG A 71 -14.691 10.886 -2.140 1.00 52.02 C ATOM 1140 O ARG A 71 -15.738 11.035 -2.767 1.00 54.23 O ATOM 1141 CB ARG A 71 -14.381 11.269 0.312 1.00 22.00 C ATOM 1142 CG ARG A 71 -15.464 12.324 0.468 1.00 51.33 C ATOM 1143 CD ARG A 71 -15.008 13.461 1.369 1.00 1.51 C ATOM 1144 NE ARG A 71 -14.289 14.493 0.627 1.00 43.45 N ATOM 1145 CZ ARG A 71 -13.975 15.680 1.135 1.00 71.03 C ATOM 1146 NH1 ARG A 71 -14.315 15.982 2.379 1.00 12.20 N ATOM 1147 NH2 ARG A 71 -13.319 16.566 0.396 1.00 23.43 N ATOM 0 H ARG A 71 -12.998 9.253 0.004 1.00 75.32 H new ATOM 0 HA ARG A 71 -15.679 9.807 -0.581 1.00 30.50 H new ATOM 0 HB2 ARG A 71 -14.239 10.762 1.267 1.00 22.00 H new ATOM 0 HB3 ARG A 71 -13.439 11.761 0.069 1.00 22.00 H new ATOM 0 HG2 ARG A 71 -15.732 12.720 -0.512 1.00 51.33 H new ATOM 0 HG3 ARG A 71 -16.362 11.867 0.884 1.00 51.33 H new ATOM 0 HD2 ARG A 71 -15.874 13.905 1.860 1.00 1.51 H new ATOM 0 HD3 ARG A 71 -14.365 13.065 2.155 1.00 1.51 H new ATOM 0 HE ARG A 71 -14.013 14.292 -0.334 1.00 43.45 H new ATOM 0 HH11 ARG A 71 -14.819 15.303 2.949 1.00 12.20 H new ATOM 0 HH12 ARG A 71 -14.073 16.894 2.767 1.00 12.20 H new ATOM 0 HH21 ARG A 71 -13.056 16.336 -0.562 1.00 23.43 H new ATOM 0 HH22 ARG A 71 -13.078 17.477 0.786 1.00 23.43 H new ATOM 1161 N ASN A 72 -13.509 11.280 -2.603 1.00 4.11 N ATOM 1162 CA ASN A 72 -13.373 11.925 -3.904 1.00 21.14 C ATOM 1163 C ASN A 72 -14.066 11.108 -4.990 1.00 43.23 C ATOM 1164 O ASN A 72 -15.158 11.455 -5.441 1.00 24.32 O ATOM 1165 CB ASN A 72 -11.895 12.109 -4.254 1.00 22.13 C ATOM 1166 CG ASN A 72 -11.313 13.376 -3.656 1.00 12.51 C ATOM 1167 OD1 ASN A 72 -11.100 14.365 -4.358 1.00 31.01 O ATOM 1168 ND2 ASN A 72 -11.054 13.352 -2.354 1.00 32.20 N ATOM 0 H ASN A 72 -12.631 11.164 -2.096 1.00 4.11 H new ATOM 0 HA ASN A 72 -13.850 12.903 -3.849 1.00 21.14 H new ATOM 0 HB2 ASN A 72 -11.330 11.248 -3.896 1.00 22.13 H new ATOM 0 HB3 ASN A 72 -11.782 12.136 -5.338 1.00 22.13 H new ATOM 0 HD21 ASN A 72 -10.663 14.175 -1.897 1.00 32.20 H new ATOM 0 HD22 ASN A 72 -11.247 12.510 -1.811 1.00 32.20 H new ATOM 1175 N ASP A 73 -13.424 10.022 -5.407 1.00 11.44 N ATOM 1176 CA ASP A 73 -13.978 9.155 -6.440 1.00 23.44 C ATOM 1177 C ASP A 73 -15.407 8.744 -6.095 1.00 1.54 C ATOM 1178 O ASP A 73 -16.340 9.014 -6.849 1.00 62.44 O ATOM 1179 CB ASP A 73 -13.105 7.911 -6.613 1.00 42.10 C ATOM 1180 CG ASP A 73 -11.627 8.244 -6.669 1.00 20.13 C ATOM 1181 OD1 ASP A 73 -11.291 9.392 -7.025 1.00 0.45 O ATOM 1182 OD2 ASP A 73 -10.806 7.356 -6.356 1.00 22.32 O ATOM 0 H ASP A 73 -12.519 9.721 -5.045 1.00 11.44 H new ATOM 0 HA ASP A 73 -13.995 9.712 -7.377 1.00 23.44 H new ATOM 0 HB2 ASP A 73 -13.289 7.224 -5.787 1.00 42.10 H new ATOM 0 HB3 ASP A 73 -13.393 7.393 -7.528 1.00 42.10 H new ATOM 1187 N GLY A 74 -15.569 8.089 -4.949 1.00 0.10 N ATOM 1188 CA GLY A 74 -16.886 7.650 -4.525 1.00 52.42 C ATOM 1189 C GLY A 74 -16.940 6.161 -4.249 1.00 74.44 C ATOM 1190 O GLY A 74 -18.019 5.593 -4.078 1.00 33.23 O ATOM 0 H GLY A 74 -14.812 7.855 -4.307 1.00 0.10 H new ATOM 0 HA2 GLY A 74 -17.175 8.194 -3.625 1.00 52.42 H new ATOM 0 HA3 GLY A 74 -17.615 7.900 -5.296 1.00 52.42 H new ATOM 1194 N VAL A 75 -15.773 5.525 -4.208 1.00 72.22 N ATOM 1195 CA VAL A 75 -15.693 4.092 -3.952 1.00 3.21 C ATOM 1196 C VAL A 75 -15.633 3.804 -2.456 1.00 61.14 C ATOM 1197 O VAL A 75 -15.749 4.711 -1.632 1.00 1.45 O ATOM 1198 CB VAL A 75 -14.459 3.469 -4.633 1.00 73.42 C ATOM 1199 CG1 VAL A 75 -14.474 3.756 -6.127 1.00 5.42 C ATOM 1200 CG2 VAL A 75 -13.180 3.986 -3.994 1.00 1.43 C ATOM 0 H VAL A 75 -14.871 5.980 -4.349 1.00 72.22 H new ATOM 0 HA VAL A 75 -16.595 3.644 -4.370 1.00 3.21 H new ATOM 0 HB VAL A 75 -14.494 2.388 -4.494 1.00 73.42 H new ATOM 0 HG11 VAL A 75 -13.596 3.309 -6.592 1.00 5.42 H new ATOM 0 HG12 VAL A 75 -15.375 3.332 -6.570 1.00 5.42 H new ATOM 0 HG13 VAL A 75 -14.462 4.834 -6.291 1.00 5.42 H new ATOM 0 HG21 VAL A 75 -12.319 3.535 -4.487 1.00 1.43 H new ATOM 0 HG22 VAL A 75 -13.133 5.070 -4.100 1.00 1.43 H new ATOM 0 HG23 VAL A 75 -13.170 3.724 -2.936 1.00 1.43 H new ATOM 1210 N THR A 76 -15.451 2.533 -2.111 1.00 20.14 N ATOM 1211 CA THR A 76 -15.377 2.124 -0.714 1.00 43.41 C ATOM 1212 C THR A 76 -14.477 0.905 -0.546 1.00 2.15 C ATOM 1213 O THR A 76 -14.546 -0.044 -1.327 1.00 35.21 O ATOM 1214 CB THR A 76 -16.772 1.799 -0.148 1.00 1.02 C ATOM 1215 OG1 THR A 76 -17.722 2.773 -0.598 1.00 63.23 O ATOM 1216 CG2 THR A 76 -16.747 1.773 1.372 1.00 0.54 C ATOM 0 H THR A 76 -15.352 1.769 -2.780 1.00 20.14 H new ATOM 0 HA THR A 76 -14.956 2.964 -0.161 1.00 43.41 H new ATOM 0 HB THR A 76 -17.065 0.812 -0.507 1.00 1.02 H new ATOM 0 HG1 THR A 76 -18.607 2.559 -0.235 1.00 63.23 H new ATOM 0 HG21 THR A 76 -17.743 1.541 1.748 1.00 0.54 H new ATOM 0 HG22 THR A 76 -16.045 1.011 1.711 1.00 0.54 H new ATOM 0 HG23 THR A 76 -16.435 2.747 1.747 1.00 0.54 H new ATOM 1224 N LEU A 77 -13.633 0.937 0.480 1.00 65.32 N ATOM 1225 CA LEU A 77 -12.718 -0.167 0.752 1.00 74.10 C ATOM 1226 C LEU A 77 -13.460 -1.351 1.365 1.00 50.45 C ATOM 1227 O LEU A 77 -14.395 -1.173 2.145 1.00 61.44 O ATOM 1228 CB LEU A 77 -11.600 0.289 1.691 1.00 14.33 C ATOM 1229 CG LEU A 77 -11.008 1.670 1.406 1.00 5.25 C ATOM 1230 CD1 LEU A 77 -10.114 2.114 2.554 1.00 10.40 C ATOM 1231 CD2 LEU A 77 -10.231 1.658 0.098 1.00 20.52 C ATOM 0 H LEU A 77 -13.563 1.714 1.137 1.00 65.32 H new ATOM 0 HA LEU A 77 -12.282 -0.485 -0.195 1.00 74.10 H new ATOM 0 HB2 LEU A 77 -11.984 0.284 2.711 1.00 14.33 H new ATOM 0 HB3 LEU A 77 -10.795 -0.445 1.650 1.00 14.33 H new ATOM 0 HG LEU A 77 -11.827 2.383 1.312 1.00 5.25 H new ATOM 0 HD11 LEU A 77 -9.701 3.099 2.334 1.00 10.40 H new ATOM 0 HD12 LEU A 77 -10.699 2.163 3.473 1.00 10.40 H new ATOM 0 HD13 LEU A 77 -9.300 1.399 2.679 1.00 10.40 H new ATOM 0 HD21 LEU A 77 -9.817 2.649 -0.088 1.00 20.52 H new ATOM 0 HD22 LEU A 77 -9.420 0.932 0.163 1.00 20.52 H new ATOM 0 HD23 LEU A 77 -10.898 1.384 -0.719 1.00 20.52 H new ATOM 1243 N SER A 78 -13.035 -2.558 1.007 1.00 71.05 N ATOM 1244 CA SER A 78 -13.661 -3.772 1.520 1.00 42.14 C ATOM 1245 C SER A 78 -13.248 -4.026 2.966 1.00 70.12 C ATOM 1246 O SER A 78 -12.335 -3.383 3.485 1.00 72.44 O ATOM 1247 CB SER A 78 -13.282 -4.973 0.650 1.00 23.24 C ATOM 1248 OG SER A 78 -14.055 -6.111 0.989 1.00 51.01 O ATOM 0 H SER A 78 -12.260 -2.722 0.364 1.00 71.05 H new ATOM 0 HA SER A 78 -14.742 -3.636 1.488 1.00 42.14 H new ATOM 0 HB2 SER A 78 -13.433 -4.727 -0.401 1.00 23.24 H new ATOM 0 HB3 SER A 78 -12.223 -5.198 0.776 1.00 23.24 H new ATOM 0 HG SER A 78 -13.460 -6.868 1.172 1.00 51.01 H new ATOM 1254 N ASP A 79 -13.928 -4.967 3.612 1.00 43.34 N ATOM 1255 CA ASP A 79 -13.631 -5.309 4.998 1.00 0.03 C ATOM 1256 C ASP A 79 -12.143 -5.587 5.185 1.00 40.43 C ATOM 1257 O ASP A 79 -11.461 -4.893 5.940 1.00 62.44 O ATOM 1258 CB ASP A 79 -14.448 -6.526 5.432 1.00 75.54 C ATOM 1259 CG ASP A 79 -15.933 -6.229 5.509 1.00 33.41 C ATOM 1260 OD1 ASP A 79 -16.294 -5.048 5.695 1.00 30.03 O ATOM 1261 OD2 ASP A 79 -16.735 -7.178 5.383 1.00 70.13 O ATOM 0 H ASP A 79 -14.688 -5.506 3.198 1.00 43.34 H new ATOM 0 HA ASP A 79 -13.903 -4.457 5.621 1.00 0.03 H new ATOM 0 HB2 ASP A 79 -14.280 -7.342 4.730 1.00 75.54 H new ATOM 0 HB3 ASP A 79 -14.098 -6.867 6.406 1.00 75.54 H new ATOM 1266 N TYR A 80 -11.647 -6.606 4.492 1.00 50.40 N ATOM 1267 CA TYR A 80 -10.240 -6.979 4.583 1.00 11.15 C ATOM 1268 C TYR A 80 -9.339 -5.798 4.232 1.00 33.33 C ATOM 1269 O TYR A 80 -8.262 -5.635 4.804 1.00 13.21 O ATOM 1270 CB TYR A 80 -9.941 -8.155 3.653 1.00 23.40 C ATOM 1271 CG TYR A 80 -10.250 -7.873 2.200 1.00 63.34 C ATOM 1272 CD1 TYR A 80 -11.515 -8.112 1.679 1.00 62.34 C ATOM 1273 CD2 TYR A 80 -9.275 -7.365 1.348 1.00 21.45 C ATOM 1274 CE1 TYR A 80 -11.801 -7.856 0.352 1.00 62.12 C ATOM 1275 CE2 TYR A 80 -9.553 -7.105 0.021 1.00 43.25 C ATOM 1276 CZ TYR A 80 -10.817 -7.352 -0.473 1.00 61.14 C ATOM 1277 OH TYR A 80 -11.098 -7.095 -1.795 1.00 1.31 O ATOM 0 H TYR A 80 -12.198 -7.188 3.861 1.00 50.40 H new ATOM 0 HA TYR A 80 -10.036 -7.276 5.612 1.00 11.15 H new ATOM 0 HB2 TYR A 80 -8.888 -8.422 3.746 1.00 23.40 H new ATOM 0 HB3 TYR A 80 -10.520 -9.020 3.977 1.00 23.40 H new ATOM 0 HD1 TYR A 80 -12.288 -8.505 2.322 1.00 62.34 H new ATOM 0 HD2 TYR A 80 -8.284 -7.171 1.731 1.00 21.45 H new ATOM 0 HE1 TYR A 80 -12.790 -8.049 -0.037 1.00 62.12 H new ATOM 0 HE2 TYR A 80 -8.785 -6.710 -0.627 1.00 43.25 H new ATOM 0 HH TYR A 80 -10.297 -6.743 -2.237 1.00 1.31 H new ATOM 1287 N GLN A 81 -9.791 -4.978 3.289 1.00 20.13 N ATOM 1288 CA GLN A 81 -9.027 -3.812 2.862 1.00 64.14 C ATOM 1289 C GLN A 81 -8.797 -2.855 4.027 1.00 62.31 C ATOM 1290 O GLN A 81 -7.674 -2.710 4.511 1.00 74.50 O ATOM 1291 CB GLN A 81 -9.754 -3.087 1.727 1.00 24.31 C ATOM 1292 CG GLN A 81 -9.253 -3.468 0.343 1.00 45.22 C ATOM 1293 CD GLN A 81 -9.328 -2.317 -0.641 1.00 13.02 C ATOM 1294 OE1 GLN A 81 -9.735 -1.209 -0.289 1.00 41.14 O ATOM 1295 NE2 GLN A 81 -8.936 -2.575 -1.884 1.00 53.31 N ATOM 0 H GLN A 81 -10.681 -5.099 2.807 1.00 20.13 H new ATOM 0 HA GLN A 81 -8.058 -4.156 2.502 1.00 64.14 H new ATOM 0 HB2 GLN A 81 -10.820 -3.305 1.791 1.00 24.31 H new ATOM 0 HB3 GLN A 81 -9.640 -2.011 1.862 1.00 24.31 H new ATOM 0 HG2 GLN A 81 -8.221 -3.812 0.416 1.00 45.22 H new ATOM 0 HG3 GLN A 81 -9.842 -4.304 -0.035 1.00 45.22 H new ATOM 0 HE21 GLN A 81 -8.606 -3.508 -2.131 1.00 53.31 H new ATOM 0 HE22 GLN A 81 -8.965 -1.840 -2.591 1.00 53.31 H new ATOM 1304 N SER A 82 -9.866 -2.203 4.471 1.00 33.21 N ATOM 1305 CA SER A 82 -9.780 -1.257 5.577 1.00 10.40 C ATOM 1306 C SER A 82 -9.064 -1.880 6.771 1.00 64.51 C ATOM 1307 O SER A 82 -8.336 -1.202 7.497 1.00 35.33 O ATOM 1308 CB SER A 82 -11.179 -0.795 5.991 1.00 42.35 C ATOM 1309 OG SER A 82 -11.140 -0.088 7.219 1.00 52.21 O ATOM 0 H SER A 82 -10.802 -2.312 4.082 1.00 33.21 H new ATOM 0 HA SER A 82 -9.205 -0.394 5.240 1.00 10.40 H new ATOM 0 HB2 SER A 82 -11.600 -0.157 5.214 1.00 42.35 H new ATOM 0 HB3 SER A 82 -11.837 -1.658 6.086 1.00 42.35 H new ATOM 0 HG SER A 82 -12.046 0.198 7.461 1.00 52.21 H new ATOM 1315 N LYS A 83 -9.276 -3.177 6.969 1.00 22.22 N ATOM 1316 CA LYS A 83 -8.651 -3.895 8.073 1.00 1.20 C ATOM 1317 C LYS A 83 -7.138 -3.964 7.892 1.00 53.22 C ATOM 1318 O LYS A 83 -6.377 -3.592 8.786 1.00 62.03 O ATOM 1319 CB LYS A 83 -9.226 -5.309 8.180 1.00 33.11 C ATOM 1320 CG LYS A 83 -10.520 -5.381 8.975 1.00 43.40 C ATOM 1321 CD LYS A 83 -11.195 -6.732 8.819 1.00 31.22 C ATOM 1322 CE LYS A 83 -10.607 -7.764 9.770 1.00 13.51 C ATOM 1323 NZ LYS A 83 -10.971 -9.153 9.376 1.00 12.22 N ATOM 0 H LYS A 83 -9.876 -3.752 6.378 1.00 22.22 H new ATOM 0 HA LYS A 83 -8.865 -3.351 8.993 1.00 1.20 H new ATOM 0 HB2 LYS A 83 -9.403 -5.697 7.177 1.00 33.11 H new ATOM 0 HB3 LYS A 83 -8.486 -5.959 8.647 1.00 33.11 H new ATOM 0 HG2 LYS A 83 -10.311 -5.197 10.029 1.00 43.40 H new ATOM 0 HG3 LYS A 83 -11.197 -4.594 8.642 1.00 43.40 H new ATOM 0 HD2 LYS A 83 -12.264 -6.630 9.008 1.00 31.22 H new ATOM 0 HD3 LYS A 83 -11.084 -7.078 7.791 1.00 31.22 H new ATOM 0 HE2 LYS A 83 -9.522 -7.664 9.788 1.00 13.51 H new ATOM 0 HE3 LYS A 83 -10.962 -7.569 10.782 1.00 13.51 H new ATOM 0 HZ1 LYS A 83 -10.551 -9.826 10.049 1.00 12.22 H new ATOM 0 HZ2 LYS A 83 -12.006 -9.256 9.383 1.00 12.22 H new ATOM 0 HZ3 LYS A 83 -10.610 -9.349 8.420 1.00 12.22 H new ATOM 1337 N LYS A 84 -6.708 -4.438 6.727 1.00 64.21 N ATOM 1338 CA LYS A 84 -5.285 -4.553 6.426 1.00 33.24 C ATOM 1339 C LYS A 84 -4.600 -3.193 6.510 1.00 21.54 C ATOM 1340 O LYS A 84 -3.380 -3.110 6.655 1.00 52.44 O ATOM 1341 CB LYS A 84 -5.086 -5.151 5.031 1.00 4.13 C ATOM 1342 CG LYS A 84 -4.994 -4.108 3.930 1.00 33.13 C ATOM 1343 CD LYS A 84 -3.550 -3.773 3.599 1.00 42.21 C ATOM 1344 CE LYS A 84 -3.438 -2.433 2.887 1.00 60.22 C ATOM 1345 NZ LYS A 84 -2.621 -2.531 1.646 1.00 45.31 N ATOM 0 H LYS A 84 -7.324 -4.749 5.976 1.00 64.21 H new ATOM 0 HA LYS A 84 -4.834 -5.214 7.166 1.00 33.24 H new ATOM 0 HB2 LYS A 84 -4.176 -5.751 5.028 1.00 4.13 H new ATOM 0 HB3 LYS A 84 -5.914 -5.826 4.813 1.00 4.13 H new ATOM 0 HG2 LYS A 84 -5.497 -4.476 3.036 1.00 33.13 H new ATOM 0 HG3 LYS A 84 -5.517 -3.203 4.240 1.00 33.13 H new ATOM 0 HD2 LYS A 84 -2.961 -3.749 4.516 1.00 42.21 H new ATOM 0 HD3 LYS A 84 -3.128 -4.557 2.970 1.00 42.21 H new ATOM 0 HE2 LYS A 84 -4.435 -2.070 2.638 1.00 60.22 H new ATOM 0 HE3 LYS A 84 -2.991 -1.701 3.559 1.00 60.22 H new ATOM 0 HZ1 LYS A 84 -2.932 -1.806 0.968 1.00 45.31 H new ATOM 0 HZ2 LYS A 84 -1.618 -2.381 1.878 1.00 45.31 H new ATOM 0 HZ3 LYS A 84 -2.742 -3.474 1.225 1.00 45.31 H new ATOM 1359 N LEU A 85 -5.392 -2.130 6.423 1.00 72.11 N ATOM 1360 CA LEU A 85 -4.862 -0.773 6.492 1.00 45.41 C ATOM 1361 C LEU A 85 -4.192 -0.518 7.839 1.00 44.05 C ATOM 1362 O LEU A 85 -3.236 0.254 7.932 1.00 33.55 O ATOM 1363 CB LEU A 85 -5.980 0.245 6.264 1.00 5.31 C ATOM 1364 CG LEU A 85 -5.708 1.315 5.207 1.00 14.44 C ATOM 1365 CD1 LEU A 85 -6.920 2.220 5.038 1.00 24.53 C ATOM 1366 CD2 LEU A 85 -4.480 2.133 5.579 1.00 43.43 C ATOM 0 H LEU A 85 -6.404 -2.182 6.305 1.00 72.11 H new ATOM 0 HA LEU A 85 -4.113 -0.662 5.708 1.00 45.41 H new ATOM 0 HB2 LEU A 85 -6.884 -0.295 5.981 1.00 5.31 H new ATOM 0 HB3 LEU A 85 -6.189 0.743 7.211 1.00 5.31 H new ATOM 0 HG LEU A 85 -5.515 0.817 4.257 1.00 14.44 H new ATOM 0 HD11 LEU A 85 -6.707 2.975 4.281 1.00 24.53 H new ATOM 0 HD12 LEU A 85 -7.778 1.625 4.725 1.00 24.53 H new ATOM 0 HD13 LEU A 85 -7.144 2.709 5.986 1.00 24.53 H new ATOM 0 HD21 LEU A 85 -4.302 2.890 4.815 1.00 43.43 H new ATOM 0 HD22 LEU A 85 -4.645 2.620 6.540 1.00 43.43 H new ATOM 0 HD23 LEU A 85 -3.613 1.476 5.648 1.00 43.43 H new ATOM 1378 N LYS A 86 -4.698 -1.172 8.878 1.00 24.31 N ATOM 1379 CA LYS A 86 -4.147 -1.020 10.219 1.00 22.54 C ATOM 1380 C LYS A 86 -2.790 -1.706 10.332 1.00 61.11 C ATOM 1381 O LYS A 86 -2.094 -1.564 11.337 1.00 3.03 O ATOM 1382 CB LYS A 86 -5.111 -1.600 11.257 1.00 10.33 C ATOM 1383 CG LYS A 86 -4.932 -3.090 11.488 1.00 21.52 C ATOM 1384 CD LYS A 86 -6.069 -3.667 12.315 1.00 1.42 C ATOM 1385 CE LYS A 86 -7.351 -3.769 11.504 1.00 32.40 C ATOM 1386 NZ LYS A 86 -8.516 -4.147 12.353 1.00 21.41 N ATOM 0 H LYS A 86 -5.489 -1.813 8.817 1.00 24.31 H new ATOM 0 HA LYS A 86 -4.013 0.045 10.410 1.00 22.54 H new ATOM 0 HB2 LYS A 86 -4.972 -1.075 12.202 1.00 10.33 H new ATOM 0 HB3 LYS A 86 -6.135 -1.411 10.935 1.00 10.33 H new ATOM 0 HG2 LYS A 86 -4.882 -3.604 10.528 1.00 21.52 H new ATOM 0 HG3 LYS A 86 -3.984 -3.269 11.996 1.00 21.52 H new ATOM 0 HD2 LYS A 86 -5.789 -4.655 12.681 1.00 1.42 H new ATOM 0 HD3 LYS A 86 -6.239 -3.039 13.190 1.00 1.42 H new ATOM 0 HE2 LYS A 86 -7.550 -2.814 11.018 1.00 32.40 H new ATOM 0 HE3 LYS A 86 -7.223 -4.508 10.713 1.00 32.40 H new ATOM 0 HZ1 LYS A 86 -9.371 -4.206 11.763 1.00 21.41 H new ATOM 0 HZ2 LYS A 86 -8.337 -5.070 12.797 1.00 21.41 H new ATOM 0 HZ3 LYS A 86 -8.655 -3.429 13.092 1.00 21.41 H new ATOM 1400 N GLU A 87 -2.419 -2.449 9.293 1.00 30.15 N ATOM 1401 CA GLU A 87 -1.144 -3.156 9.277 1.00 24.52 C ATOM 1402 C GLU A 87 0.022 -2.175 9.196 1.00 14.10 C ATOM 1403 O GLU A 87 0.702 -1.917 10.190 1.00 33.00 O ATOM 1404 CB GLU A 87 -1.090 -4.129 8.098 1.00 52.34 C ATOM 1405 CG GLU A 87 -2.131 -5.232 8.170 1.00 71.50 C ATOM 1406 CD GLU A 87 -1.696 -6.389 9.049 1.00 1.30 C ATOM 1407 OE1 GLU A 87 -0.661 -7.014 8.736 1.00 41.21 O ATOM 1408 OE2 GLU A 87 -2.389 -6.669 10.048 1.00 24.03 O ATOM 0 H GLU A 87 -2.983 -2.576 8.453 1.00 30.15 H new ATOM 0 HA GLU A 87 -1.058 -3.718 10.207 1.00 24.52 H new ATOM 0 HB2 GLU A 87 -1.227 -3.572 7.171 1.00 52.34 H new ATOM 0 HB3 GLU A 87 -0.098 -4.579 8.055 1.00 52.34 H new ATOM 0 HG2 GLU A 87 -3.065 -4.821 8.553 1.00 71.50 H new ATOM 0 HG3 GLU A 87 -2.334 -5.601 7.165 1.00 71.50 H new ATOM 1415 N LEU A 88 0.247 -1.632 8.006 1.00 54.34 N ATOM 1416 CA LEU A 88 1.331 -0.678 7.792 1.00 42.14 C ATOM 1417 C LEU A 88 1.074 0.618 8.553 1.00 15.10 C ATOM 1418 O LEU A 88 1.912 1.520 8.569 1.00 70.02 O ATOM 1419 CB LEU A 88 1.491 -0.384 6.299 1.00 4.04 C ATOM 1420 CG LEU A 88 0.196 -0.182 5.512 1.00 12.34 C ATOM 1421 CD1 LEU A 88 -0.364 -1.519 5.054 1.00 33.52 C ATOM 1422 CD2 LEU A 88 -0.828 0.567 6.353 1.00 11.43 C ATOM 0 H LEU A 88 -0.306 -1.835 7.173 1.00 54.34 H new ATOM 0 HA LEU A 88 2.252 -1.122 8.169 1.00 42.14 H new ATOM 0 HB2 LEU A 88 2.103 0.511 6.189 1.00 4.04 H new ATOM 0 HB3 LEU A 88 2.044 -1.206 5.845 1.00 4.04 H new ATOM 0 HG LEU A 88 0.420 0.417 4.629 1.00 12.34 H new ATOM 0 HD11 LEU A 88 -1.286 -1.355 4.496 1.00 33.52 H new ATOM 0 HD12 LEU A 88 0.364 -2.019 4.415 1.00 33.52 H new ATOM 0 HD13 LEU A 88 -0.572 -2.143 5.923 1.00 33.52 H new ATOM 0 HD21 LEU A 88 -1.743 0.702 5.777 1.00 11.43 H new ATOM 0 HD22 LEU A 88 -1.047 -0.006 7.254 1.00 11.43 H new ATOM 0 HD23 LEU A 88 -0.427 1.542 6.631 1.00 11.43 H new ATOM 1434 N THR A 89 -0.092 0.706 9.186 1.00 21.41 N ATOM 1435 CA THR A 89 -0.461 1.890 9.951 1.00 41.43 C ATOM 1436 C THR A 89 0.496 2.111 11.118 1.00 35.42 C ATOM 1437 O THR A 89 0.668 3.236 11.586 1.00 22.32 O ATOM 1438 CB THR A 89 -1.898 1.784 10.493 1.00 15.31 C ATOM 1439 OG1 THR A 89 -2.526 3.071 10.471 1.00 1.13 O ATOM 1440 CG2 THR A 89 -1.903 1.237 11.913 1.00 45.33 C ATOM 0 H THR A 89 -0.798 -0.030 9.184 1.00 21.41 H new ATOM 0 HA THR A 89 -0.400 2.738 9.269 1.00 41.43 H new ATOM 0 HB THR A 89 -2.453 1.097 9.854 1.00 15.31 H new ATOM 0 HG1 THR A 89 -3.440 2.995 10.816 1.00 1.13 H new ATOM 0 HG21 THR A 89 -2.929 1.171 12.274 1.00 45.33 H new ATOM 0 HG22 THR A 89 -1.451 0.245 11.922 1.00 45.33 H new ATOM 0 HG23 THR A 89 -1.332 1.902 12.561 1.00 45.33 H new ATOM 1448 N SER A 90 1.115 1.030 11.582 1.00 51.13 N ATOM 1449 CA SER A 90 2.052 1.106 12.697 1.00 50.13 C ATOM 1450 C SER A 90 3.396 1.663 12.239 1.00 43.30 C ATOM 1451 O SER A 90 3.966 2.546 12.882 1.00 35.20 O ATOM 1452 CB SER A 90 2.246 -0.277 13.321 1.00 21.21 C ATOM 1453 OG SER A 90 0.999 -0.875 13.635 1.00 4.50 O ATOM 0 H SER A 90 0.985 0.092 11.203 1.00 51.13 H new ATOM 0 HA SER A 90 1.635 1.780 13.446 1.00 50.13 H new ATOM 0 HB2 SER A 90 2.796 -0.917 12.631 1.00 21.21 H new ATOM 0 HB3 SER A 90 2.849 -0.190 14.225 1.00 21.21 H new ATOM 0 HG SER A 90 1.150 -1.759 14.031 1.00 4.50 H new ATOM 1459 N ILE A 91 3.898 1.140 11.125 1.00 11.11 N ATOM 1460 CA ILE A 91 5.175 1.586 10.581 1.00 70.42 C ATOM 1461 C ILE A 91 5.110 3.048 10.152 1.00 31.51 C ATOM 1462 O ILE A 91 6.092 3.781 10.257 1.00 4.00 O ATOM 1463 CB ILE A 91 5.603 0.728 9.377 1.00 42.13 C ATOM 1464 CG1 ILE A 91 5.570 -0.757 9.743 1.00 71.25 C ATOM 1465 CG2 ILE A 91 6.993 1.131 8.906 1.00 45.01 C ATOM 1466 CD1 ILE A 91 5.877 -1.674 8.579 1.00 30.24 C ATOM 0 H ILE A 91 3.440 0.408 10.582 1.00 11.11 H new ATOM 0 HA ILE A 91 5.913 1.476 11.376 1.00 70.42 H new ATOM 0 HB ILE A 91 4.900 0.898 8.561 1.00 42.13 H new ATOM 0 HG12 ILE A 91 6.290 -0.942 10.540 1.00 71.25 H new ATOM 0 HG13 ILE A 91 4.585 -1.003 10.139 1.00 71.25 H new ATOM 0 HG21 ILE A 91 7.281 0.515 8.054 1.00 45.01 H new ATOM 0 HG22 ILE A 91 6.987 2.180 8.610 1.00 45.01 H new ATOM 0 HG23 ILE A 91 7.708 0.987 9.716 1.00 45.01 H new ATOM 0 HD11 ILE A 91 5.836 -2.711 8.912 1.00 30.24 H new ATOM 0 HD12 ILE A 91 5.143 -1.517 7.789 1.00 30.24 H new ATOM 0 HD13 ILE A 91 6.874 -1.455 8.197 1.00 30.24 H new ATOM 1478 N SER A 92 3.944 3.465 9.669 1.00 33.31 N ATOM 1479 CA SER A 92 3.750 4.840 9.221 1.00 61.30 C ATOM 1480 C SER A 92 3.565 5.777 10.411 1.00 51.31 C ATOM 1481 O SER A 92 2.639 5.614 11.205 1.00 50.10 O ATOM 1482 CB SER A 92 2.538 4.930 8.293 1.00 52.21 C ATOM 1483 OG SER A 92 1.459 4.153 8.785 1.00 60.31 O ATOM 0 H SER A 92 3.120 2.871 9.578 1.00 33.31 H new ATOM 0 HA SER A 92 4.641 5.147 8.673 1.00 61.30 H new ATOM 0 HB2 SER A 92 2.227 5.970 8.196 1.00 52.21 H new ATOM 0 HB3 SER A 92 2.813 4.586 7.296 1.00 52.21 H new ATOM 0 HG SER A 92 1.509 3.249 8.410 1.00 60.31 H new