USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 116 GLN : amide:sc= -4.25! C(o=-4.3!,f=-7.1!) USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.087 USER MOD Set 2.1: A 77 GLN : amide:sc= 0.537 K(o=1.7,f=1.1) USER MOD Set 2.2: A 115 SER OG : rot -25:sc= 1.16 USER MOD Single : A 15 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.5!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -3.38! C(o=-4!,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -133:sc= -0.187 (180deg=-0.949) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.57) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.17) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -0.455 (180deg=-1.86!) USER MOD Single : A 57 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-10!) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.00799 F(o=-1.2,f=0.008) USER MOD Single : A 60 MET CE :methyl 152:sc= -7.99! (180deg=-9.5!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -1.19 F(o=-4.5!,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= -0.724 K(o=-0.72,f=-1.5) USER MOD Single : A 76 ASN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.32 F(o=-3.2!,f=-1.3) USER MOD Single : A 86 HIS : no HE2:sc= -11.5! C(o=-11!,f=-12!) USER MOD Single : A 87 SER OG : rot 160:sc= -0.874 USER MOD Single : A 88 MET CE :methyl -129:sc= -1.35 (180deg=-2.72!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.992 USER MOD Single : A 99 TYR OH : rot -30:sc= 0.503 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot -131:sc= 0.883 USER MOD Single : A 111 MET CE :methyl -126:sc= -2.85! (180deg=-6.24!) USER MOD Single : A 113 TYR OH : rot 65:sc= 1.05 USER MOD Single : B 339 THR OG1 : rot 170:sc= -0.0175 USER MOD Single : B 340 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 180:sc=-0.00249 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.168 -17.552 -3.177 1.00 41.44 N ATOM 222 CA PHE A 13 1.050 -17.249 -2.443 1.00 63.33 C ATOM 223 C PHE A 13 2.288 -17.499 -3.306 1.00 44.41 C ATOM 224 O PHE A 13 3.066 -16.582 -3.561 1.00 20.03 O ATOM 225 CB PHE A 13 1.087 -18.186 -1.234 1.00 2.14 C ATOM 226 CG PHE A 13 1.833 -17.614 -0.026 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.631 -16.322 0.347 1.00 5.52 C ATOM 228 CD2 PHE A 13 2.696 -18.398 0.675 1.00 23.23 C ATOM 229 CE1 PHE A 13 2.323 -15.791 1.468 1.00 33.33 C ATOM 230 CE2 PHE A 13 3.386 -17.866 1.796 1.00 5.13 C ATOM 231 CZ PHE A 13 3.186 -16.574 2.169 1.00 61.43 C ATOM 0 HA PHE A 13 1.054 -16.200 -2.146 1.00 63.33 H new ATOM 0 HB2 PHE A 13 0.065 -18.422 -0.938 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.558 -19.124 -1.528 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.945 -15.700 -0.209 1.00 5.52 H new ATOM 0 HD2 PHE A 13 2.856 -19.424 0.379 1.00 23.23 H new ATOM 0 HE1 PHE A 13 2.164 -14.765 1.764 1.00 33.33 H new ATOM 0 HE2 PHE A 13 4.071 -18.488 2.353 1.00 5.13 H new ATOM 0 HZ PHE A 13 3.712 -16.170 3.021 1.00 61.43 H new ATOM 241 N GLU A 14 2.431 -18.745 -3.732 1.00 55.44 N ATOM 242 CA GLU A 14 3.562 -19.127 -4.561 1.00 2.44 C ATOM 243 C GLU A 14 3.787 -18.090 -5.663 1.00 21.01 C ATOM 244 O GLU A 14 4.927 -17.753 -5.979 1.00 32.24 O ATOM 245 CB GLU A 14 3.359 -20.523 -5.156 1.00 3.33 C ATOM 246 CG GLU A 14 2.533 -20.456 -6.442 1.00 34.15 C ATOM 247 CD GLU A 14 2.347 -21.849 -7.046 1.00 72.44 C ATOM 248 OE1 GLU A 14 2.862 -22.124 -8.141 1.00 44.41 O ATOM 249 OE2 GLU A 14 1.639 -22.661 -6.338 1.00 21.22 O ATOM 0 H GLU A 14 1.783 -19.503 -3.519 1.00 55.44 H new ATOM 0 HA GLU A 14 4.452 -19.161 -3.933 1.00 2.44 H new ATOM 0 HB2 GLU A 14 4.327 -20.978 -5.365 1.00 3.33 H new ATOM 0 HB3 GLU A 14 2.857 -21.162 -4.430 1.00 3.33 H new ATOM 0 HG2 GLU A 14 1.559 -20.014 -6.231 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.028 -19.806 -7.163 1.00 34.15 H new ATOM 257 N GLN A 15 2.682 -17.613 -6.216 1.00 45.15 N ATOM 258 CA GLN A 15 2.744 -16.620 -7.276 1.00 41.13 C ATOM 259 C GLN A 15 3.288 -15.296 -6.732 1.00 53.54 C ATOM 260 O GLN A 15 4.300 -14.792 -7.215 1.00 72.22 O ATOM 261 CB GLN A 15 1.373 -16.424 -7.924 1.00 53.44 C ATOM 262 CG GLN A 15 1.513 -15.897 -9.354 1.00 54.20 C ATOM 263 CD GLN A 15 1.695 -17.047 -10.347 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.764 -17.267 -10.893 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.595 -17.766 -10.550 1.00 10.33 N ATOM 0 H GLN A 15 1.738 -17.895 -5.950 1.00 45.15 H new ATOM 0 HA GLN A 15 3.425 -16.981 -8.046 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.832 -17.370 -7.933 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.783 -15.725 -7.331 1.00 53.44 H new ATOM 0 HG2 GLN A 15 0.628 -15.318 -9.620 1.00 54.20 H new ATOM 0 HG3 GLN A 15 2.366 -15.221 -9.414 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.268 -17.528 -10.060 1.00 10.33 H new ATOM 0 HE22 GLN A 15 0.614 -18.556 -11.195 1.00 10.33 H new ATOM 274 N ARG A 16 2.591 -14.772 -5.735 1.00 3.03 N ATOM 275 CA ARG A 16 2.990 -13.518 -5.121 1.00 14.35 C ATOM 276 C ARG A 16 4.482 -13.545 -4.780 1.00 53.10 C ATOM 277 O ARG A 16 5.173 -12.538 -4.922 1.00 3.11 O ATOM 278 CB ARG A 16 2.188 -13.248 -3.847 1.00 24.11 C ATOM 279 CG ARG A 16 0.695 -13.122 -4.157 1.00 72.42 C ATOM 280 CD ARG A 16 0.314 -11.666 -4.434 1.00 11.40 C ATOM 281 NE ARG A 16 1.169 -11.115 -5.508 1.00 51.11 N ATOM 282 CZ ARG A 16 0.928 -11.276 -6.826 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.149 -11.974 -7.246 1.00 15.11 N ATOM 284 NH2 ARG A 16 1.760 -10.739 -7.699 1.00 73.11 N ATOM 0 H ARG A 16 1.752 -15.194 -5.337 1.00 3.03 H new ATOM 0 HA ARG A 16 2.791 -12.721 -5.837 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.348 -14.056 -3.134 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.544 -12.332 -3.376 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.446 -13.738 -5.021 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.112 -13.501 -3.317 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.735 -11.605 -4.725 1.00 11.40 H new ATOM 0 HD3 ARG A 16 0.428 -11.073 -3.527 1.00 11.40 H new ATOM 0 HE ARG A 16 1.993 -10.579 -5.235 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -0.788 -12.384 -6.565 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -0.324 -12.091 -8.244 1.00 15.11 H new ATOM 0 HH21 ARG A 16 2.570 -10.212 -7.374 1.00 73.11 H new ATOM 0 HH22 ARG A 16 1.592 -10.851 -8.699 1.00 73.11 H new ATOM 297 N VAL A 17 4.933 -14.709 -4.336 1.00 23.21 N ATOM 298 CA VAL A 17 6.329 -14.881 -3.974 1.00 72.24 C ATOM 299 C VAL A 17 7.175 -14.972 -5.246 1.00 12.31 C ATOM 300 O VAL A 17 8.284 -14.443 -5.298 1.00 41.11 O ATOM 301 CB VAL A 17 6.488 -16.101 -3.063 1.00 61.12 C ATOM 302 CG1 VAL A 17 7.961 -16.359 -2.743 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.669 -15.936 -1.780 1.00 4.10 C ATOM 0 H VAL A 17 4.356 -15.542 -4.219 1.00 23.21 H new ATOM 0 HA VAL A 17 6.684 -14.020 -3.408 1.00 72.24 H new ATOM 0 HB VAL A 17 6.105 -16.970 -3.597 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.045 -17.231 -2.094 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.508 -16.541 -3.668 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.381 -15.489 -2.238 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.799 -16.816 -1.150 1.00 4.10 H new ATOM 0 HG22 VAL A 17 6.009 -15.051 -1.242 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.615 -15.823 -2.033 1.00 4.10 H new ATOM 313 N GLU A 18 6.618 -15.647 -6.241 1.00 25.41 N ATOM 314 CA GLU A 18 7.307 -15.815 -7.510 1.00 5.04 C ATOM 315 C GLU A 18 7.632 -14.451 -8.121 1.00 14.13 C ATOM 316 O GLU A 18 8.761 -14.209 -8.546 1.00 42.13 O ATOM 317 CB GLU A 18 6.479 -16.665 -8.475 1.00 74.55 C ATOM 318 CG GLU A 18 7.378 -17.373 -9.491 1.00 43.23 C ATOM 319 CD GLU A 18 6.573 -17.832 -10.708 1.00 34.23 C ATOM 320 OE1 GLU A 18 6.194 -19.010 -10.792 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.343 -16.917 -11.587 1.00 63.31 O ATOM 0 H GLU A 18 5.698 -16.084 -6.194 1.00 25.41 H new ATOM 0 HA GLU A 18 8.243 -16.342 -7.326 1.00 5.04 H new ATOM 0 HB2 GLU A 18 5.905 -17.403 -7.915 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.761 -16.033 -8.998 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.174 -16.700 -9.810 1.00 43.23 H new ATOM 0 HG3 GLU A 18 7.857 -18.232 -9.022 1.00 43.23 H new ATOM 329 N ASP A 19 6.622 -13.593 -8.146 1.00 32.14 N ATOM 330 CA ASP A 19 6.786 -12.259 -8.698 1.00 24.24 C ATOM 331 C ASP A 19 7.860 -11.512 -7.906 1.00 51.31 C ATOM 332 O ASP A 19 8.674 -10.791 -8.481 1.00 42.23 O ATOM 333 CB ASP A 19 5.486 -11.460 -8.602 1.00 51.12 C ATOM 334 CG ASP A 19 5.337 -10.339 -9.634 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.502 -10.559 -10.844 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.036 -9.184 -9.145 1.00 21.13 O ATOM 0 H ASP A 19 5.687 -13.796 -7.793 1.00 32.14 H new ATOM 0 HA ASP A 19 7.070 -12.360 -9.745 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.646 -12.147 -8.710 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.417 -11.026 -7.604 1.00 51.12 H new ATOM 342 N VAL A 20 7.828 -11.710 -6.596 1.00 71.23 N ATOM 343 CA VAL A 20 8.788 -11.064 -5.717 1.00 54.42 C ATOM 344 C VAL A 20 10.206 -11.431 -6.161 1.00 35.23 C ATOM 345 O VAL A 20 11.131 -10.631 -6.023 1.00 13.24 O ATOM 346 CB VAL A 20 8.502 -11.439 -4.263 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.720 -11.170 -3.377 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.269 -10.699 -3.738 1.00 35.51 C ATOM 0 H VAL A 20 7.152 -12.309 -6.122 1.00 71.23 H new ATOM 0 HA VAL A 20 8.696 -9.980 -5.783 1.00 54.42 H new ATOM 0 HB VAL A 20 8.292 -12.508 -4.229 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.489 -11.445 -2.348 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.565 -11.761 -3.730 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.975 -10.111 -3.421 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.088 -10.984 -2.702 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.439 -9.624 -3.795 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.402 -10.962 -4.344 1.00 35.51 H new ATOM 358 N ARG A 21 10.333 -12.640 -6.686 1.00 73.35 N ATOM 359 CA ARG A 21 11.622 -13.123 -7.151 1.00 12.33 C ATOM 360 C ARG A 21 12.147 -12.233 -8.279 1.00 3.32 C ATOM 361 O ARG A 21 13.292 -11.783 -8.239 1.00 20.04 O ATOM 362 CB ARG A 21 11.521 -14.565 -7.654 1.00 32.23 C ATOM 363 CG ARG A 21 12.897 -15.237 -7.672 1.00 24.21 C ATOM 364 CD ARG A 21 12.765 -16.750 -7.852 1.00 65.53 C ATOM 365 NE ARG A 21 13.981 -17.289 -8.501 1.00 31.50 N ATOM 366 CZ ARG A 21 14.265 -17.148 -9.813 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.421 -16.482 -10.629 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.381 -17.671 -10.286 1.00 2.31 N ATOM 0 H ARG A 21 9.564 -13.300 -6.800 1.00 73.35 H new ATOM 0 HA ARG A 21 12.312 -13.091 -6.308 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.844 -15.131 -7.014 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.094 -14.575 -8.657 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.498 -14.822 -8.481 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.423 -15.022 -6.742 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.617 -17.228 -6.884 1.00 65.53 H new ATOM 0 HD3 ARG A 21 11.888 -16.978 -8.458 1.00 65.53 H new ATOM 0 HE ARG A 21 14.646 -17.799 -7.920 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.561 -16.081 -10.255 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.643 -16.380 -11.619 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.014 -18.173 -9.662 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.611 -17.574 -11.275 1.00 2.31 H new ATOM 381 N LEU A 22 11.285 -12.004 -9.259 1.00 21.23 N ATOM 382 CA LEU A 22 11.648 -11.175 -10.397 1.00 44.20 C ATOM 383 C LEU A 22 12.124 -9.810 -9.896 1.00 44.01 C ATOM 384 O LEU A 22 13.236 -9.387 -10.202 1.00 64.33 O ATOM 385 CB LEU A 22 10.488 -11.096 -11.392 1.00 45.15 C ATOM 386 CG LEU A 22 10.097 -12.410 -12.071 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.597 -12.163 -13.496 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.252 -13.412 -12.036 1.00 33.03 C ATOM 0 H LEU A 22 10.336 -12.378 -9.289 1.00 21.23 H new ATOM 0 HA LEU A 22 12.478 -11.620 -10.945 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.614 -10.705 -10.871 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.747 -10.373 -12.166 1.00 45.15 H new ATOM 0 HG LEU A 22 9.272 -12.850 -11.511 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.326 -13.113 -13.956 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.724 -11.511 -13.467 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.385 -11.688 -14.081 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.946 -14.337 -12.525 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.113 -12.993 -12.557 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.521 -13.621 -11.001 1.00 33.03 H new ATOM 400 N ILE A 23 11.255 -9.159 -9.135 1.00 72.43 N ATOM 401 CA ILE A 23 11.573 -7.851 -8.589 1.00 73.03 C ATOM 402 C ILE A 23 12.809 -7.963 -7.695 1.00 50.41 C ATOM 403 O ILE A 23 13.580 -7.012 -7.573 1.00 52.54 O ATOM 404 CB ILE A 23 10.353 -7.255 -7.883 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.086 -5.827 -8.362 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.510 -7.330 -6.363 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.882 -5.785 -9.877 1.00 24.34 C ATOM 0 H ILE A 23 10.332 -9.513 -8.884 1.00 72.43 H new ATOM 0 HA ILE A 23 11.821 -7.153 -9.389 1.00 73.03 H new ATOM 0 HB ILE A 23 9.480 -7.851 -8.147 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.202 -5.431 -7.862 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.923 -5.185 -8.086 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.630 -6.900 -5.885 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.616 -8.371 -6.059 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.396 -6.772 -6.061 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.694 -4.758 -10.190 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.777 -6.158 -10.375 1.00 24.34 H new ATOM 0 HD13 ILE A 23 9.030 -6.408 -10.147 1.00 24.34 H new ATOM 419 N ARG A 24 12.959 -9.132 -7.090 1.00 12.34 N ATOM 420 CA ARG A 24 14.088 -9.380 -6.210 1.00 45.23 C ATOM 421 C ARG A 24 15.386 -9.444 -7.017 1.00 1.14 C ATOM 422 O ARG A 24 16.444 -9.047 -6.531 1.00 74.04 O ATOM 423 CB ARG A 24 13.909 -10.691 -5.440 1.00 34.14 C ATOM 424 CG ARG A 24 13.359 -10.431 -4.037 1.00 13.13 C ATOM 425 CD ARG A 24 14.227 -9.421 -3.285 1.00 0.34 C ATOM 426 NE ARG A 24 15.654 -9.632 -3.620 1.00 52.12 N ATOM 427 CZ ARG A 24 16.593 -8.664 -3.577 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.264 -7.406 -3.213 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.838 -8.964 -3.895 1.00 1.01 N ATOM 0 H ARG A 24 12.317 -9.918 -7.192 1.00 12.34 H new ATOM 0 HA ARG A 24 14.140 -8.557 -5.497 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.230 -11.347 -5.985 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.865 -11.209 -5.369 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.338 -10.057 -4.107 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.318 -11.367 -3.480 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.929 -8.406 -3.548 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.077 -9.529 -2.211 1.00 0.34 H new ATOM 0 HE ARG A 24 15.945 -10.568 -3.901 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.300 -7.182 -2.968 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.980 -6.680 -3.183 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.079 -9.917 -4.168 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.559 -8.243 -3.867 1.00 1.01 H new ATOM 442 N GLU A 25 15.263 -9.945 -8.237 1.00 75.54 N ATOM 443 CA GLU A 25 16.414 -10.066 -9.117 1.00 71.24 C ATOM 444 C GLU A 25 16.431 -8.918 -10.129 1.00 4.54 C ATOM 445 O GLU A 25 17.374 -8.787 -10.906 1.00 51.11 O ATOM 446 CB GLU A 25 16.423 -11.422 -9.825 1.00 21.24 C ATOM 447 CG GLU A 25 15.245 -11.543 -10.793 1.00 65.42 C ATOM 448 CD GLU A 25 15.553 -12.543 -11.909 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.850 -13.555 -12.046 1.00 42.04 O ATOM 450 OE2 GLU A 25 16.564 -12.239 -12.650 1.00 50.21 O ATOM 0 H GLU A 25 14.384 -10.272 -8.638 1.00 75.54 H new ATOM 0 HA GLU A 25 17.318 -10.004 -8.511 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.359 -11.546 -10.369 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.375 -12.222 -9.086 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.355 -11.861 -10.250 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.023 -10.567 -11.225 1.00 65.42 H new ATOM 458 N GLN A 26 15.377 -8.118 -10.085 1.00 42.22 N ATOM 459 CA GLN A 26 15.259 -6.987 -10.989 1.00 1.04 C ATOM 460 C GLN A 26 15.503 -5.677 -10.236 1.00 74.23 C ATOM 461 O GLN A 26 16.449 -4.951 -10.537 1.00 72.32 O ATOM 462 CB GLN A 26 13.893 -6.975 -11.678 1.00 4.32 C ATOM 463 CG GLN A 26 13.826 -8.033 -12.781 1.00 11.50 C ATOM 464 CD GLN A 26 12.812 -7.640 -13.857 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.603 -6.475 -14.154 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.196 -8.674 -14.423 1.00 14.23 N ATOM 0 H GLN A 26 14.597 -8.230 -9.438 1.00 42.22 H new ATOM 0 HA GLN A 26 16.020 -7.086 -11.763 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.109 -7.160 -10.943 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.705 -5.989 -12.103 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.811 -8.156 -13.232 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.550 -8.995 -12.350 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.418 -9.624 -14.127 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.501 -8.517 -15.153 1.00 14.23 H new ATOM 475 N HIS A 27 14.635 -5.417 -9.269 1.00 51.23 N ATOM 476 CA HIS A 27 14.745 -4.208 -8.471 1.00 52.43 C ATOM 477 C HIS A 27 14.982 -4.581 -7.006 1.00 72.33 C ATOM 478 O HIS A 27 14.054 -4.571 -6.200 1.00 1.33 O ATOM 479 CB HIS A 27 13.517 -3.316 -8.663 1.00 21.24 C ATOM 480 CG HIS A 27 13.219 -2.985 -10.106 1.00 74.33 C ATOM 481 ND1 HIS A 27 12.744 -3.764 -11.119 1.00 31.43 N flip ATOM 482 CD2 HIS A 27 13.409 -1.722 -10.640 1.00 21.41 C flip ATOM 483 CE1 HIS A 27 12.647 -3.018 -12.213 1.00 74.54 C flip ATOM 484 NE2 HIS A 27 13.060 -1.752 -11.918 1.00 22.24 N flip ATOM 0 H HIS A 27 13.853 -6.023 -9.020 1.00 51.23 H new ATOM 0 HA HIS A 27 15.602 -3.624 -8.806 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.649 -3.811 -8.228 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.665 -2.388 -8.111 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.779 -0.859 -10.106 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.299 -3.358 -13.177 1.00 74.54 H new ATOM 0 HE2 HIS A 27 13.094 -0.966 -12.567 1.00 22.24 H new ATOM 492 N PRO A 28 16.266 -4.910 -6.698 1.00 55.03 N ATOM 493 CA PRO A 28 16.638 -5.286 -5.345 1.00 41.14 C ATOM 494 C PRO A 28 16.696 -4.059 -4.431 1.00 41.12 C ATOM 495 O PRO A 28 16.466 -4.166 -3.228 1.00 74.04 O ATOM 496 CB PRO A 28 17.980 -5.987 -5.485 1.00 22.43 C ATOM 497 CG PRO A 28 18.527 -5.569 -6.840 1.00 40.31 C ATOM 498 CD PRO A 28 17.392 -4.933 -7.626 1.00 2.23 C ATOM 0 HA PRO A 28 15.907 -5.945 -4.876 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.658 -5.696 -4.683 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.864 -7.069 -5.427 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.349 -4.864 -6.718 1.00 40.31 H new ATOM 0 HG3 PRO A 28 18.924 -6.432 -7.374 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.654 -3.928 -7.956 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.157 -5.511 -8.520 1.00 2.23 H new ATOM 506 N THR A 29 17.007 -2.924 -5.038 1.00 63.23 N ATOM 507 CA THR A 29 17.098 -1.678 -4.295 1.00 35.40 C ATOM 508 C THR A 29 15.741 -0.974 -4.266 1.00 2.51 C ATOM 509 O THR A 29 15.674 0.248 -4.137 1.00 3.01 O ATOM 510 CB THR A 29 18.208 -0.833 -4.924 1.00 72.21 C ATOM 511 OG1 THR A 29 17.830 -0.728 -6.294 1.00 20.14 O ATOM 512 CG2 THR A 29 19.551 -1.565 -4.963 1.00 4.31 C ATOM 0 H THR A 29 17.199 -2.840 -6.036 1.00 63.23 H new ATOM 0 HA THR A 29 17.358 -1.858 -3.252 1.00 35.40 H new ATOM 0 HB THR A 29 18.318 0.096 -4.365 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.495 -0.194 -6.777 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.303 -0.921 -5.419 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.857 -1.818 -3.948 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.451 -2.478 -5.550 1.00 4.31 H new ATOM 520 N LYS A 30 14.692 -1.774 -4.388 1.00 73.12 N ATOM 521 CA LYS A 30 13.340 -1.242 -4.377 1.00 13.34 C ATOM 522 C LYS A 30 12.474 -2.081 -3.435 1.00 74.25 C ATOM 523 O LYS A 30 12.686 -3.286 -3.300 1.00 52.32 O ATOM 524 CB LYS A 30 12.788 -1.151 -5.801 1.00 53.11 C ATOM 525 CG LYS A 30 13.521 -0.074 -6.604 1.00 74.24 C ATOM 526 CD LYS A 30 12.824 1.282 -6.468 1.00 31.34 C ATOM 527 CE LYS A 30 12.957 2.098 -7.755 1.00 62.14 C ATOM 528 NZ LYS A 30 14.130 2.996 -7.680 1.00 64.44 N ATOM 0 H LYS A 30 14.751 -2.787 -4.495 1.00 73.12 H new ATOM 0 HA LYS A 30 13.336 -0.222 -3.992 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.893 -2.115 -6.298 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.722 -0.924 -5.768 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.551 0.006 -6.256 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.561 -0.363 -7.654 1.00 74.24 H new ATOM 0 HD2 LYS A 30 11.770 1.131 -6.236 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.258 1.836 -5.635 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.059 1.428 -8.609 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.052 2.684 -7.916 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 14.206 3.543 -8.562 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 14.018 3.648 -6.877 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.993 2.430 -7.548 1.00 64.44 H new ATOM 541 N ILE A 31 11.518 -1.412 -2.808 1.00 11.23 N ATOM 542 CA ILE A 31 10.619 -2.081 -1.883 1.00 34.53 C ATOM 543 C ILE A 31 9.342 -2.486 -2.622 1.00 61.33 C ATOM 544 O ILE A 31 8.574 -1.628 -3.057 1.00 14.43 O ATOM 545 CB ILE A 31 10.368 -1.207 -0.653 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.661 -0.981 0.132 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.261 -1.798 0.223 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.299 -2.312 0.535 1.00 43.44 C ATOM 0 H ILE A 31 11.346 -0.413 -2.922 1.00 11.23 H new ATOM 0 HA ILE A 31 11.073 -2.997 -1.506 1.00 34.53 H new ATOM 0 HB ILE A 31 10.023 -0.230 -0.993 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.362 -0.406 -0.473 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.451 -0.390 1.023 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.102 -1.157 1.091 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.338 -1.864 -0.353 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.553 -2.794 0.556 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.217 -2.122 1.092 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.605 -2.874 1.160 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.531 -2.890 -0.360 1.00 43.44 H new ATOM 560 N PRO A 32 9.149 -3.826 -2.745 1.00 41.13 N ATOM 561 CA PRO A 32 7.977 -4.355 -3.424 1.00 31.23 C ATOM 562 C PRO A 32 6.729 -4.220 -2.549 1.00 60.01 C ATOM 563 O PRO A 32 6.737 -4.617 -1.385 1.00 33.01 O ATOM 564 CB PRO A 32 8.326 -5.799 -3.743 1.00 4.31 C ATOM 565 CG PRO A 32 9.485 -6.161 -2.827 1.00 32.45 C ATOM 566 CD PRO A 32 10.037 -4.871 -2.243 1.00 10.22 C ATOM 0 HA PRO A 32 7.735 -3.807 -4.335 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.472 -6.454 -3.570 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.607 -5.911 -4.790 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.150 -6.827 -2.032 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.259 -6.691 -3.382 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.039 -4.899 -1.153 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.066 -4.702 -2.560 1.00 10.22 H new ATOM 574 N VAL A 33 5.686 -3.660 -3.144 1.00 12.13 N ATOM 575 CA VAL A 33 4.434 -3.469 -2.434 1.00 24.23 C ATOM 576 C VAL A 33 3.267 -3.741 -3.384 1.00 4.32 C ATOM 577 O VAL A 33 3.388 -3.546 -4.593 1.00 1.31 O ATOM 578 CB VAL A 33 4.389 -2.068 -1.819 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.768 -1.653 -1.302 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.848 -1.047 -2.820 1.00 4.04 C ATOM 0 H VAL A 33 5.683 -3.333 -4.110 1.00 12.13 H new ATOM 0 HA VAL A 33 4.353 -4.175 -1.608 1.00 24.23 H new ATOM 0 HB VAL A 33 3.707 -2.096 -0.969 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.709 -0.654 -0.870 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.099 -2.359 -0.540 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.480 -1.650 -2.127 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.827 -0.060 -2.358 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.493 -1.022 -3.699 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.839 -1.330 -3.119 1.00 4.04 H new ATOM 590 N ILE A 34 2.163 -4.187 -2.803 1.00 53.34 N ATOM 591 CA ILE A 34 0.975 -4.488 -3.584 1.00 0.30 C ATOM 592 C ILE A 34 -0.206 -3.683 -3.038 1.00 63.12 C ATOM 593 O ILE A 34 -0.861 -4.102 -2.086 1.00 30.23 O ATOM 594 CB ILE A 34 0.726 -5.997 -3.620 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.817 -6.714 -4.417 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.674 -6.309 -4.155 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.398 -6.900 -5.877 1.00 42.24 C ATOM 0 H ILE A 34 2.066 -4.347 -1.800 1.00 53.34 H new ATOM 0 HA ILE A 34 1.115 -4.186 -4.622 1.00 0.30 H new ATOM 0 HB ILE A 34 0.772 -6.375 -2.599 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.742 -6.140 -4.371 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.022 -7.686 -3.967 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.825 -7.388 -4.170 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.421 -5.847 -3.510 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.773 -5.914 -5.166 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.192 -7.412 -6.421 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.486 -7.495 -5.921 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.218 -5.925 -6.331 1.00 42.24 H new ATOM 609 N ILE A 35 -0.443 -2.540 -3.667 1.00 13.32 N ATOM 610 CA ILE A 35 -1.533 -1.672 -3.257 1.00 43.02 C ATOM 611 C ILE A 35 -2.757 -1.950 -4.132 1.00 62.52 C ATOM 612 O ILE A 35 -2.690 -1.830 -5.354 1.00 31.22 O ATOM 613 CB ILE A 35 -1.088 -0.209 -3.269 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.213 -0.025 -2.483 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.200 0.708 -2.759 1.00 64.40 C ATOM 616 CD1 ILE A 35 1.052 1.112 -3.070 1.00 12.23 C ATOM 0 H ILE A 35 0.102 -2.196 -4.458 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.821 -1.884 -2.227 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.884 0.077 -4.301 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.016 0.189 -1.439 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.787 -0.952 -2.500 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.856 1.742 -2.778 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.078 0.605 -3.397 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.460 0.431 -1.737 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.970 1.222 -2.493 1.00 12.23 H new ATOM 0 HD12 ILE A 35 1.300 0.884 -4.107 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.485 2.042 -3.029 1.00 12.23 H new ATOM 628 N GLU A 36 -3.846 -2.316 -3.472 1.00 14.05 N ATOM 629 CA GLU A 36 -5.083 -2.611 -4.174 1.00 10.15 C ATOM 630 C GLU A 36 -6.220 -1.742 -3.635 1.00 32.02 C ATOM 631 O GLU A 36 -6.014 -0.934 -2.731 1.00 33.43 O ATOM 632 CB GLU A 36 -5.432 -4.097 -4.070 1.00 14.40 C ATOM 633 CG GLU A 36 -4.828 -4.714 -2.806 1.00 64.41 C ATOM 634 CD GLU A 36 -5.525 -4.186 -1.551 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.715 -2.969 -1.412 1.00 11.42 O ATOM 636 OE2 GLU A 36 -5.877 -5.091 -0.701 1.00 2.44 O ATOM 0 H GLU A 36 -3.897 -2.415 -2.458 1.00 14.05 H new ATOM 0 HA GLU A 36 -4.943 -2.378 -5.229 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.515 -4.220 -4.058 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -5.061 -4.624 -4.949 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.919 -5.799 -2.848 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.763 -4.485 -2.758 1.00 64.41 H new ATOM 644 N ARG A 37 -7.396 -1.936 -4.214 1.00 33.23 N ATOM 645 CA ARG A 37 -8.567 -1.179 -3.803 1.00 73.24 C ATOM 646 C ARG A 37 -9.208 -1.821 -2.571 1.00 64.52 C ATOM 647 O ARG A 37 -9.279 -3.044 -2.469 1.00 12.04 O ATOM 648 CB ARG A 37 -9.601 -1.109 -4.929 1.00 51.13 C ATOM 649 CG ARG A 37 -10.291 -2.461 -5.124 1.00 1.41 C ATOM 650 CD ARG A 37 -10.832 -2.599 -6.550 1.00 24.11 C ATOM 651 NE ARG A 37 -11.827 -3.691 -6.609 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.217 -4.299 -7.749 1.00 70.24 C ATOM 653 NH1 ARG A 37 -11.696 -3.925 -8.937 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.115 -5.265 -7.686 1.00 44.03 N ATOM 0 H ARG A 37 -7.563 -2.606 -4.964 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.240 -0.168 -3.562 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.345 -0.347 -4.698 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.114 -0.808 -5.857 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.586 -3.266 -4.919 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.108 -2.563 -4.410 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.289 -1.662 -6.867 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.014 -2.804 -7.240 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.245 -4.005 -5.733 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.003 -3.178 -8.977 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -11.996 -4.389 -9.794 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.504 -5.542 -6.785 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.420 -5.734 -8.539 1.00 44.03 H new ATOM 667 N TYR A 38 -9.659 -0.966 -1.665 1.00 2.33 N ATOM 668 CA TYR A 38 -10.292 -1.434 -0.443 1.00 20.32 C ATOM 669 C TYR A 38 -11.585 -2.191 -0.751 1.00 54.11 C ATOM 670 O TYR A 38 -12.216 -1.954 -1.781 1.00 13.01 O ATOM 671 CB TYR A 38 -10.629 -0.179 0.364 1.00 12.43 C ATOM 672 CG TYR A 38 -11.447 -0.453 1.628 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.813 -0.630 1.539 1.00 42.23 C ATOM 674 CD2 TYR A 38 -10.820 -0.523 2.854 1.00 12.43 C ATOM 675 CE1 TYR A 38 -13.583 -0.888 2.728 1.00 42.11 C ATOM 676 CE2 TYR A 38 -11.590 -0.781 4.043 1.00 53.35 C ATOM 677 CZ TYR A 38 -12.935 -0.951 3.921 1.00 23.24 C ATOM 678 OH TYR A 38 -13.662 -1.196 5.044 1.00 23.44 O ATOM 0 H TYR A 38 -9.599 0.048 -1.752 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.631 -2.113 0.096 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.701 0.320 0.645 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.183 0.512 -0.272 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.304 -0.575 0.579 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -9.751 -0.384 2.922 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -14.652 -1.028 2.673 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -11.111 -0.838 5.009 1.00 53.35 H new ATOM 0 HH TYR A 38 -13.066 -1.214 5.822 1.00 23.44 H new ATOM 688 N LYS A 39 -11.942 -3.084 0.159 1.00 73.55 N ATOM 689 CA LYS A 39 -13.148 -3.877 -0.003 1.00 43.43 C ATOM 690 C LYS A 39 -14.369 -3.009 0.309 1.00 21.11 C ATOM 691 O LYS A 39 -14.758 -2.871 1.467 1.00 3.42 O ATOM 692 CB LYS A 39 -13.069 -5.151 0.841 1.00 73.41 C ATOM 693 CG LYS A 39 -11.814 -5.957 0.500 1.00 61.13 C ATOM 694 CD LYS A 39 -11.482 -6.951 1.615 1.00 10.22 C ATOM 695 CE LYS A 39 -10.764 -6.256 2.774 1.00 52.01 C ATOM 696 NZ LYS A 39 -9.497 -5.647 2.308 1.00 32.44 N ATOM 0 H LYS A 39 -11.417 -3.276 1.012 1.00 73.55 H new ATOM 0 HA LYS A 39 -13.248 -4.211 -1.036 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.062 -4.891 1.899 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.956 -5.761 0.669 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.965 -6.493 -0.437 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.973 -5.281 0.348 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.399 -7.416 1.977 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.854 -7.750 1.220 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.409 -5.487 3.201 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.559 -6.976 3.566 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -8.731 -5.892 2.968 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -9.266 -6.008 1.360 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -9.603 -4.613 2.269 1.00 32.44 H new ATOM 709 N GLY A 40 -14.939 -2.446 -0.747 1.00 74.45 N ATOM 710 CA GLY A 40 -16.108 -1.595 -0.602 1.00 3.24 C ATOM 711 C GLY A 40 -15.775 -0.143 -0.950 1.00 12.21 C ATOM 712 O GLY A 40 -16.482 0.776 -0.536 1.00 40.33 O ATOM 0 H GLY A 40 -14.613 -2.563 -1.706 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.907 -1.954 -1.251 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.479 -1.652 0.421 1.00 3.24 H new ATOM 716 N GLU A 41 -14.699 0.020 -1.706 1.00 33.32 N ATOM 717 CA GLU A 41 -14.265 1.344 -2.115 1.00 32.55 C ATOM 718 C GLU A 41 -14.336 1.480 -3.637 1.00 20.11 C ATOM 719 O GLU A 41 -13.482 0.957 -4.351 1.00 31.05 O ATOM 720 CB GLU A 41 -12.854 1.641 -1.602 1.00 62.14 C ATOM 721 CG GLU A 41 -12.384 3.023 -2.059 1.00 52.41 C ATOM 722 CD GLU A 41 -11.671 2.941 -3.410 1.00 41.41 C ATOM 723 OE1 GLU A 41 -10.701 2.181 -3.554 1.00 62.12 O ATOM 724 OE2 GLU A 41 -12.157 3.702 -4.331 1.00 34.32 O ATOM 0 H GLU A 41 -14.115 -0.744 -2.046 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.939 2.078 -1.673 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.841 1.590 -0.513 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.163 0.880 -1.965 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -13.239 3.695 -2.135 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.711 3.447 -1.314 1.00 52.41 H new ATOM 732 N LYS A 42 -15.363 2.184 -4.089 1.00 64.40 N ATOM 733 CA LYS A 42 -15.556 2.396 -5.514 1.00 2.11 C ATOM 734 C LYS A 42 -15.340 3.874 -5.840 1.00 14.01 C ATOM 735 O LYS A 42 -15.110 4.232 -6.994 1.00 33.23 O ATOM 736 CB LYS A 42 -16.921 1.862 -5.954 1.00 13.31 C ATOM 737 CG LYS A 42 -18.036 2.849 -5.602 1.00 45.50 C ATOM 738 CD LYS A 42 -18.351 2.807 -4.105 1.00 43.25 C ATOM 739 CE LYS A 42 -19.837 3.068 -3.850 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.033 3.702 -2.527 1.00 23.20 N ATOM 0 H LYS A 42 -16.070 2.615 -3.494 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.819 1.833 -6.086 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.916 1.682 -7.029 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.113 0.904 -5.472 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.737 3.858 -5.886 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -18.933 2.609 -6.173 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.074 1.834 -3.699 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.752 3.553 -3.583 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.238 3.713 -4.632 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.390 2.130 -3.896 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.047 3.872 -2.370 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -19.668 3.073 -1.783 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.521 4.607 -2.497 1.00 23.20 H new ATOM 753 N GLN A 43 -15.422 4.694 -4.802 1.00 63.45 N ATOM 754 CA GLN A 43 -15.238 6.127 -4.964 1.00 43.21 C ATOM 755 C GLN A 43 -13.965 6.412 -5.763 1.00 65.15 C ATOM 756 O GLN A 43 -14.029 6.715 -6.954 1.00 23.23 O ATOM 757 CB GLN A 43 -15.203 6.831 -3.606 1.00 65.43 C ATOM 758 CG GLN A 43 -16.610 6.966 -3.022 1.00 61.32 C ATOM 759 CD GLN A 43 -17.526 7.743 -3.969 1.00 0.41 C ATOM 760 OE1 GLN A 43 -17.255 8.871 -4.349 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.622 7.081 -4.327 1.00 61.50 N ATOM 0 H GLN A 43 -15.613 4.394 -3.846 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.088 6.523 -5.520 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.572 6.269 -2.917 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.755 7.818 -3.716 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.027 5.976 -2.838 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.560 7.475 -2.059 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -18.788 6.139 -3.972 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.297 7.515 -4.957 1.00 61.50 H new ATOM 770 N LEU A 44 -12.837 6.304 -5.076 1.00 70.13 N ATOM 771 CA LEU A 44 -11.551 6.546 -5.707 1.00 74.32 C ATOM 772 C LEU A 44 -11.417 5.655 -6.944 1.00 11.20 C ATOM 773 O LEU A 44 -12.009 4.578 -7.003 1.00 43.35 O ATOM 774 CB LEU A 44 -10.416 6.368 -4.696 1.00 23.41 C ATOM 775 CG LEU A 44 -10.309 7.444 -3.612 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.967 6.822 -2.257 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.309 8.529 -4.014 1.00 10.25 C ATOM 0 H LEU A 44 -12.787 6.052 -4.089 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.484 7.579 -6.049 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.538 5.400 -4.209 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.473 6.334 -5.241 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.281 7.926 -3.510 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -9.897 7.607 -1.504 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.747 6.116 -1.973 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.013 6.300 -2.327 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.252 9.281 -3.227 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.326 8.082 -4.160 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.635 8.999 -4.942 1.00 10.25 H new ATOM 789 N PRO A 45 -10.618 6.150 -7.926 1.00 31.11 N ATOM 790 CA PRO A 45 -10.400 5.410 -9.158 1.00 72.02 C ATOM 791 C PRO A 45 -9.450 4.232 -8.929 1.00 4.31 C ATOM 792 O PRO A 45 -8.775 4.165 -7.903 1.00 31.03 O ATOM 793 CB PRO A 45 -9.852 6.434 -10.138 1.00 14.10 C ATOM 794 CG PRO A 45 -9.348 7.593 -9.295 1.00 24.31 C ATOM 795 CD PRO A 45 -9.902 7.422 -7.890 1.00 12.34 C ATOM 0 HA PRO A 45 -11.313 4.956 -9.545 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.047 6.009 -10.737 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.626 6.763 -10.831 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.258 7.606 -9.277 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.671 8.543 -9.720 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.103 7.406 -7.149 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.567 8.243 -7.624 1.00 12.34 H new ATOM 803 N VAL A 46 -9.427 3.335 -9.903 1.00 55.41 N ATOM 804 CA VAL A 46 -8.571 2.164 -9.821 1.00 62.40 C ATOM 805 C VAL A 46 -7.127 2.571 -10.124 1.00 24.11 C ATOM 806 O VAL A 46 -6.824 3.026 -11.225 1.00 23.43 O ATOM 807 CB VAL A 46 -9.091 1.069 -10.755 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.423 -0.274 -10.451 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.615 0.955 -10.671 1.00 2.32 C ATOM 0 H VAL A 46 -9.987 3.395 -10.753 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.588 1.749 -8.813 1.00 62.40 H new ATOM 0 HB VAL A 46 -8.832 1.348 -11.776 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.810 -1.035 -11.129 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.345 -0.183 -10.586 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.637 -0.562 -9.422 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.959 0.170 -11.344 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.906 0.710 -9.649 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.067 1.904 -10.959 1.00 2.32 H new ATOM 819 N LEU A 47 -6.275 2.392 -9.125 1.00 70.21 N ATOM 820 CA LEU A 47 -4.870 2.735 -9.270 1.00 52.54 C ATOM 821 C LEU A 47 -4.390 2.321 -10.662 1.00 0.41 C ATOM 822 O LEU A 47 -4.840 1.313 -11.205 1.00 44.05 O ATOM 823 CB LEU A 47 -4.050 2.127 -8.131 1.00 21.34 C ATOM 824 CG LEU A 47 -2.959 3.021 -7.538 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.082 3.619 -8.639 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.563 4.099 -6.636 1.00 2.31 C ATOM 0 H LEU A 47 -6.530 2.014 -8.213 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.731 3.813 -9.192 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.733 1.841 -7.331 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.584 1.211 -8.494 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.314 2.404 -6.913 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.315 4.250 -8.190 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.607 2.816 -9.203 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.698 4.218 -9.310 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.766 4.720 -6.228 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.245 4.719 -7.217 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.109 3.626 -5.820 1.00 2.31 H new ATOM 838 N ASP A 48 -3.482 3.122 -11.201 1.00 34.23 N ATOM 839 CA ASP A 48 -2.936 2.852 -12.521 1.00 65.12 C ATOM 840 C ASP A 48 -2.482 1.392 -12.592 1.00 61.25 C ATOM 841 O ASP A 48 -2.782 0.691 -13.556 1.00 1.55 O ATOM 842 CB ASP A 48 -1.722 3.738 -12.805 1.00 32.20 C ATOM 843 CG ASP A 48 -1.505 4.082 -14.281 1.00 54.14 C ATOM 844 OD1 ASP A 48 -0.366 4.094 -14.773 1.00 11.32 O ATOM 845 OD2 ASP A 48 -2.579 4.349 -14.943 1.00 33.14 O ATOM 0 H ASP A 48 -3.111 3.957 -10.748 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.714 3.058 -13.257 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.828 4.666 -12.243 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -0.830 3.238 -12.429 1.00 32.20 H new ATOM 851 N LYS A 49 -1.765 0.978 -11.557 1.00 34.30 N ATOM 852 CA LYS A 49 -1.268 -0.386 -11.489 1.00 13.11 C ATOM 853 C LYS A 49 -1.444 -0.918 -10.065 1.00 55.44 C ATOM 854 O LYS A 49 -2.046 -0.256 -9.221 1.00 64.03 O ATOM 855 CB LYS A 49 0.173 -0.455 -11.997 1.00 53.23 C ATOM 856 CG LYS A 49 0.268 0.032 -13.445 1.00 52.12 C ATOM 857 CD LYS A 49 0.569 1.531 -13.500 1.00 15.23 C ATOM 858 CE LYS A 49 1.827 1.809 -14.324 1.00 51.44 C ATOM 859 NZ LYS A 49 1.465 2.291 -15.676 1.00 4.25 N ATOM 0 H LYS A 49 -1.517 1.563 -10.759 1.00 34.30 H new ATOM 0 HA LYS A 49 -1.846 -1.036 -12.146 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.816 0.154 -11.362 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.537 -1.480 -11.930 1.00 53.23 H new ATOM 0 HG2 LYS A 49 1.050 -0.519 -13.967 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -0.668 -0.174 -13.964 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.279 2.060 -13.935 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.700 1.916 -12.489 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.443 2.553 -13.819 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.425 0.901 -14.403 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.326 2.571 -16.187 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.984 1.531 -16.198 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.829 3.110 -15.594 1.00 4.25 H new ATOM 872 N THR A 50 -0.909 -2.109 -9.843 1.00 62.40 N ATOM 873 CA THR A 50 -1.000 -2.740 -8.537 1.00 12.42 C ATOM 874 C THR A 50 0.394 -2.900 -7.925 1.00 13.32 C ATOM 875 O THR A 50 0.556 -2.806 -6.709 1.00 13.53 O ATOM 876 CB THR A 50 -1.749 -4.063 -8.701 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.793 -3.759 -9.621 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.485 -4.481 -7.426 1.00 4.14 C ATOM 0 H THR A 50 -0.410 -2.655 -10.546 1.00 62.40 H new ATOM 0 HA THR A 50 -1.559 -2.120 -7.836 1.00 12.42 H new ATOM 0 HB THR A 50 -1.046 -4.845 -8.987 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.328 -4.563 -9.786 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.000 -5.426 -7.597 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.768 -4.600 -6.614 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.212 -3.715 -7.158 1.00 4.14 H new ATOM 886 N LYS A 51 1.363 -3.142 -8.795 1.00 63.11 N ATOM 887 CA LYS A 51 2.736 -3.317 -8.356 1.00 2.24 C ATOM 888 C LYS A 51 3.469 -1.977 -8.439 1.00 2.53 C ATOM 889 O LYS A 51 3.467 -1.328 -9.483 1.00 22.21 O ATOM 890 CB LYS A 51 3.413 -4.438 -9.148 1.00 62.34 C ATOM 891 CG LYS A 51 2.667 -5.762 -8.971 1.00 12.21 C ATOM 892 CD LYS A 51 3.561 -6.949 -9.338 1.00 14.34 C ATOM 893 CE LYS A 51 3.366 -7.351 -10.800 1.00 70.11 C ATOM 894 NZ LYS A 51 1.926 -7.492 -11.111 1.00 74.50 N ATOM 0 H LYS A 51 1.224 -3.221 -9.802 1.00 63.11 H new ATOM 0 HA LYS A 51 2.765 -3.632 -7.313 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.445 -4.173 -10.205 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.445 -4.551 -8.816 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.333 -5.860 -7.938 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.775 -5.767 -9.597 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.605 -6.689 -9.165 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.331 -7.795 -8.691 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.813 -6.601 -11.452 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.880 -8.292 -10.996 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.796 -8.242 -11.820 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.406 -7.740 -10.245 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.562 -6.593 -11.487 1.00 74.50 H new ATOM 907 N PHE A 52 4.079 -1.603 -7.323 1.00 55.52 N ATOM 908 CA PHE A 52 4.814 -0.351 -7.257 1.00 12.53 C ATOM 909 C PHE A 52 6.193 -0.558 -6.625 1.00 23.41 C ATOM 910 O PHE A 52 6.315 -1.223 -5.598 1.00 20.35 O ATOM 911 CB PHE A 52 4.000 0.599 -6.376 1.00 64.54 C ATOM 912 CG PHE A 52 2.571 0.836 -6.870 1.00 42.21 C ATOM 913 CD1 PHE A 52 2.327 1.780 -7.817 1.00 55.41 C ATOM 914 CD2 PHE A 52 1.546 0.100 -6.363 1.00 50.44 C ATOM 915 CE1 PHE A 52 1.001 2.000 -8.275 1.00 50.35 C ATOM 916 CE2 PHE A 52 0.220 0.319 -6.821 1.00 5.33 C ATOM 917 CZ PHE A 52 -0.025 1.264 -7.768 1.00 13.42 C ATOM 0 H PHE A 52 4.079 -2.144 -6.459 1.00 55.52 H new ATOM 0 HA PHE A 52 4.960 0.049 -8.260 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.961 0.196 -5.364 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.517 1.557 -6.318 1.00 64.54 H new ATOM 0 HD1 PHE A 52 3.142 2.363 -8.221 1.00 55.41 H new ATOM 0 HD2 PHE A 52 1.741 -0.651 -5.612 1.00 50.44 H new ATOM 0 HE1 PHE A 52 0.807 2.752 -9.026 1.00 50.35 H new ATOM 0 HE2 PHE A 52 -0.594 -0.265 -6.417 1.00 5.33 H new ATOM 0 HZ PHE A 52 -1.033 1.430 -8.117 1.00 13.42 H new ATOM 927 N LEU A 53 7.195 0.024 -7.266 1.00 0.05 N ATOM 928 CA LEU A 53 8.559 -0.087 -6.780 1.00 15.10 C ATOM 929 C LEU A 53 8.926 1.180 -6.005 1.00 53.33 C ATOM 930 O LEU A 53 9.183 2.224 -6.602 1.00 23.21 O ATOM 931 CB LEU A 53 9.515 -0.402 -7.933 1.00 22.22 C ATOM 932 CG LEU A 53 9.212 -1.674 -8.728 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.407 -2.077 -9.592 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.766 -2.806 -7.801 1.00 70.04 C ATOM 0 H LEU A 53 7.089 0.574 -8.118 1.00 0.05 H new ATOM 0 HA LEU A 53 8.648 -0.922 -6.085 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.512 0.443 -8.622 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.525 -0.481 -7.530 1.00 22.22 H new ATOM 0 HG LEU A 53 8.382 -1.466 -9.404 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.166 -2.984 -10.147 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.637 -1.274 -10.292 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.271 -2.261 -8.954 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.557 -3.698 -8.391 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.558 -3.022 -7.084 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.865 -2.505 -7.267 1.00 70.04 H new ATOM 946 N VAL A 54 8.938 1.047 -4.687 1.00 12.25 N ATOM 947 CA VAL A 54 9.269 2.168 -3.824 1.00 54.11 C ATOM 948 C VAL A 54 10.789 2.258 -3.673 1.00 53.14 C ATOM 949 O VAL A 54 11.468 1.237 -3.574 1.00 2.34 O ATOM 950 CB VAL A 54 8.541 2.031 -2.486 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.452 3.380 -1.770 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.151 1.419 -2.677 1.00 33.12 C ATOM 0 H VAL A 54 8.724 0.179 -4.195 1.00 12.25 H new ATOM 0 HA VAL A 54 8.931 3.105 -4.267 1.00 54.11 H new ATOM 0 HB VAL A 54 9.121 1.355 -1.857 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.930 3.255 -0.821 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.456 3.760 -1.584 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.906 4.088 -2.394 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.655 1.333 -1.710 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.559 2.058 -3.333 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.247 0.430 -3.125 1.00 33.12 H new ATOM 962 N PRO A 55 11.291 3.522 -3.656 1.00 45.33 N ATOM 963 CA PRO A 55 12.717 3.758 -3.518 1.00 0.21 C ATOM 964 C PRO A 55 13.176 3.522 -2.077 1.00 50.22 C ATOM 965 O PRO A 55 12.674 4.155 -1.151 1.00 54.10 O ATOM 966 CB PRO A 55 12.926 5.192 -3.978 1.00 72.21 C ATOM 967 CG PRO A 55 11.557 5.852 -3.916 1.00 64.33 C ATOM 968 CD PRO A 55 10.517 4.754 -3.769 1.00 22.13 C ATOM 0 HA PRO A 55 13.315 3.070 -4.115 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.638 5.709 -3.335 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.329 5.223 -4.990 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.504 6.543 -3.075 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.373 6.434 -4.819 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.895 4.913 -2.888 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.849 4.724 -4.630 1.00 22.13 H new ATOM 976 N ASP A 56 14.123 2.606 -1.934 1.00 15.23 N ATOM 977 CA ASP A 56 14.654 2.277 -0.622 1.00 24.22 C ATOM 978 C ASP A 56 15.622 3.376 -0.178 1.00 33.22 C ATOM 979 O ASP A 56 16.788 3.105 0.103 1.00 24.04 O ATOM 980 CB ASP A 56 15.423 0.956 -0.655 1.00 14.44 C ATOM 981 CG ASP A 56 16.748 0.997 -1.420 1.00 63.42 C ATOM 982 OD1 ASP A 56 16.862 1.655 -2.464 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.703 0.306 -0.895 1.00 53.21 O ATOM 0 H ASP A 56 14.536 2.081 -2.705 1.00 15.23 H new ATOM 0 HA ASP A 56 13.815 2.189 0.069 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.622 0.643 0.370 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.786 0.193 -1.103 1.00 14.44 H new ATOM 989 N HIS A 57 15.101 4.594 -0.129 1.00 42.54 N ATOM 990 CA HIS A 57 15.904 5.735 0.276 1.00 33.12 C ATOM 991 C HIS A 57 14.986 6.886 0.692 1.00 34.15 C ATOM 992 O HIS A 57 15.358 8.053 0.580 1.00 74.42 O ATOM 993 CB HIS A 57 16.885 6.129 -0.830 1.00 42.14 C ATOM 994 CG HIS A 57 16.221 6.571 -2.112 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.431 7.703 -2.195 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.238 6.020 -3.359 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.996 7.821 -3.441 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.496 6.776 -4.162 1.00 2.34 N ATOM 0 H HIS A 57 14.133 4.815 -0.363 1.00 42.54 H new ATOM 0 HA HIS A 57 16.511 5.469 1.141 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.522 6.935 -0.466 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.535 5.281 -1.044 1.00 42.14 H new ATOM 0 HD1 HIS A 57 15.219 8.340 -1.427 1.00 2.30 H new ATOM 0 HD2 HIS A 57 16.765 5.122 -3.646 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.358 8.606 -3.819 1.00 52.24 H new ATOM 1006 N VAL A 58 13.804 6.518 1.163 1.00 51.30 N ATOM 1007 CA VAL A 58 12.830 7.505 1.597 1.00 21.42 C ATOM 1008 C VAL A 58 11.988 6.920 2.732 1.00 52.34 C ATOM 1009 O VAL A 58 12.388 5.948 3.370 1.00 3.12 O ATOM 1010 CB VAL A 58 11.989 7.969 0.405 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.880 8.449 -0.741 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.044 6.859 -0.063 1.00 52.14 C ATOM 0 H VAL A 58 13.498 5.549 1.254 1.00 51.30 H new ATOM 0 HA VAL A 58 13.331 8.390 1.988 1.00 21.42 H new ATOM 0 HB VAL A 58 11.381 8.813 0.732 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.257 8.773 -1.575 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.493 9.283 -0.400 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.526 7.633 -1.066 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.458 7.214 -0.911 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.626 5.988 -0.364 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.374 6.584 0.752 1.00 52.14 H new ATOM 1022 N ASN A 59 10.836 7.537 2.950 1.00 3.10 N ATOM 1023 CA ASN A 59 9.934 7.090 3.997 1.00 53.34 C ATOM 1024 C ASN A 59 8.604 6.664 3.371 1.00 32.55 C ATOM 1025 O ASN A 59 8.285 7.062 2.252 1.00 53.32 O ATOM 1026 CB ASN A 59 9.648 8.213 4.995 1.00 31.55 C ATOM 1027 CG ASN A 59 10.642 9.365 4.824 1.00 54.00 C ATOM 1028 OD1 ASN A 59 10.426 10.108 3.743 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.543 9.565 5.621 1.00 14.31 N flip ATOM 0 H ASN A 59 10.507 8.343 2.419 1.00 3.10 H new ATOM 0 HA ASN A 59 10.408 6.258 4.517 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.632 8.581 4.853 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.707 7.825 6.012 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.652 8.955 6.431 1.00 14.31 H new ATOM 0 HD22 ASN A 59 12.188 10.342 5.478 1.00 14.31 H new ATOM 1036 N MET A 60 7.863 5.862 4.121 1.00 53.42 N ATOM 1037 CA MET A 60 6.575 5.378 3.654 1.00 63.50 C ATOM 1038 C MET A 60 5.658 6.542 3.274 1.00 72.03 C ATOM 1039 O MET A 60 4.728 6.372 2.486 1.00 33.53 O ATOM 1040 CB MET A 60 5.913 4.545 4.753 1.00 54.13 C ATOM 1041 CG MET A 60 5.170 5.439 5.747 1.00 71.53 C ATOM 1042 SD MET A 60 3.508 5.741 5.170 1.00 50.24 S ATOM 1043 CE MET A 60 2.946 4.061 4.952 1.00 24.12 C ATOM 0 H MET A 60 8.130 5.535 5.049 1.00 53.42 H new ATOM 0 HA MET A 60 6.738 4.763 2.769 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.217 3.835 4.306 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.670 3.962 5.278 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.143 4.963 6.727 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.700 6.384 5.866 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.865 4.019 5.085 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.202 3.719 3.949 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.427 3.418 5.689 1.00 24.12 H new ATOM 1053 N SER A 61 5.950 7.698 3.853 1.00 31.15 N ATOM 1054 CA SER A 61 5.163 8.890 3.584 1.00 60.52 C ATOM 1055 C SER A 61 5.199 9.214 2.089 1.00 5.42 C ATOM 1056 O SER A 61 4.155 9.334 1.451 1.00 42.35 O ATOM 1057 CB SER A 61 5.671 10.081 4.398 1.00 24.14 C ATOM 1058 OG SER A 61 5.850 11.242 3.592 1.00 33.42 O ATOM 0 H SER A 61 6.721 7.834 4.507 1.00 31.15 H new ATOM 0 HA SER A 61 4.133 8.694 3.882 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.964 10.301 5.198 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.617 9.819 4.871 1.00 24.14 H new ATOM 0 HG SER A 61 6.173 11.980 4.149 1.00 33.42 H new ATOM 1064 N GLU A 62 6.412 9.350 1.575 1.00 43.34 N ATOM 1065 CA GLU A 62 6.599 9.659 0.168 1.00 62.30 C ATOM 1066 C GLU A 62 5.647 8.822 -0.690 1.00 2.22 C ATOM 1067 O GLU A 62 4.915 9.362 -1.519 1.00 1.22 O ATOM 1068 CB GLU A 62 8.053 9.440 -0.255 1.00 23.32 C ATOM 1069 CG GLU A 62 8.920 10.644 0.117 1.00 33.21 C ATOM 1070 CD GLU A 62 10.183 10.697 -0.743 1.00 21.13 C ATOM 1071 OE1 GLU A 62 11.174 11.331 -0.350 1.00 65.32 O ATOM 1072 OE2 GLU A 62 10.113 10.048 -1.856 1.00 22.24 O ATOM 0 H GLU A 62 7.276 9.252 2.108 1.00 43.34 H new ATOM 0 HA GLU A 62 6.366 10.713 0.014 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.444 8.543 0.226 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.101 9.271 -1.331 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.348 11.563 -0.014 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.195 10.587 1.170 1.00 33.21 H new ATOM 1080 N LEU A 63 5.688 7.518 -0.462 1.00 75.35 N ATOM 1081 CA LEU A 63 4.838 6.602 -1.203 1.00 71.31 C ATOM 1082 C LEU A 63 3.439 7.206 -1.339 1.00 34.30 C ATOM 1083 O LEU A 63 2.844 7.168 -2.415 1.00 74.31 O ATOM 1084 CB LEU A 63 4.848 5.216 -0.554 1.00 53.52 C ATOM 1085 CG LEU A 63 4.310 4.070 -1.411 1.00 3.21 C ATOM 1086 CD1 LEU A 63 4.111 2.805 -0.573 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.028 4.482 -2.137 1.00 23.34 C ATOM 0 H LEU A 63 6.297 7.074 0.225 1.00 75.35 H new ATOM 0 HA LEU A 63 5.224 6.459 -2.212 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.872 4.979 -0.267 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.262 5.262 0.364 1.00 53.52 H new ATOM 0 HG LEU A 63 5.053 3.838 -2.175 1.00 3.21 H new ATOM 0 HD11 LEU A 63 3.728 2.005 -1.207 1.00 21.14 H new ATOM 0 HD12 LEU A 63 5.065 2.501 -0.142 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.399 3.007 0.227 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.667 3.648 -2.739 1.00 23.34 H new ATOM 0 HD22 LEU A 63 2.268 4.757 -1.406 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.234 5.334 -2.784 1.00 23.34 H new ATOM 1099 N ILE A 64 2.955 7.752 -0.233 1.00 23.04 N ATOM 1100 CA ILE A 64 1.637 8.364 -0.214 1.00 61.52 C ATOM 1101 C ILE A 64 1.556 9.422 -1.317 1.00 62.30 C ATOM 1102 O ILE A 64 0.632 9.408 -2.128 1.00 14.00 O ATOM 1103 CB ILE A 64 1.316 8.904 1.181 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.659 7.873 2.259 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.140 9.363 1.269 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.201 6.474 1.846 1.00 54.44 C ATOM 0 H ILE A 64 3.452 7.783 0.657 1.00 23.04 H new ATOM 0 HA ILE A 64 0.869 7.621 -0.426 1.00 61.52 H new ATOM 0 HB ILE A 64 1.940 9.779 1.362 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.735 7.870 2.435 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.183 8.152 3.199 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.342 9.742 2.271 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.317 10.153 0.539 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.800 8.521 1.060 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.457 5.761 2.630 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.122 6.474 1.694 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.697 6.188 0.919 1.00 54.44 H new ATOM 1118 N LYS A 65 2.535 10.314 -1.309 1.00 65.21 N ATOM 1119 CA LYS A 65 2.587 11.377 -2.298 1.00 4.50 C ATOM 1120 C LYS A 65 2.675 10.764 -3.696 1.00 41.42 C ATOM 1121 O LYS A 65 2.141 11.317 -4.657 1.00 64.31 O ATOM 1122 CB LYS A 65 3.724 12.350 -1.981 1.00 50.41 C ATOM 1123 CG LYS A 65 3.622 12.864 -0.543 1.00 31.50 C ATOM 1124 CD LYS A 65 4.688 13.923 -0.261 1.00 14.42 C ATOM 1125 CE LYS A 65 6.022 13.544 -0.910 1.00 43.24 C ATOM 1126 NZ LYS A 65 7.147 14.190 -0.198 1.00 21.21 N ATOM 0 H LYS A 65 3.299 10.323 -0.633 1.00 65.21 H new ATOM 0 HA LYS A 65 1.673 11.970 -2.267 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.683 11.853 -2.126 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.692 13.190 -2.674 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.631 13.286 -0.374 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.737 12.033 0.153 1.00 31.50 H new ATOM 0 HD2 LYS A 65 4.356 14.889 -0.641 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.821 14.033 0.815 1.00 14.42 H new ATOM 0 HE2 LYS A 65 6.147 12.461 -0.893 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.023 13.849 -1.957 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 8.044 13.922 -0.651 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 7.035 15.223 -0.236 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 7.154 13.879 0.794 1.00 21.21 H new ATOM 1139 N ILE A 66 3.353 9.627 -3.767 1.00 54.04 N ATOM 1140 CA ILE A 66 3.517 8.932 -5.033 1.00 32.11 C ATOM 1141 C ILE A 66 2.161 8.402 -5.500 1.00 63.23 C ATOM 1142 O ILE A 66 1.858 8.423 -6.692 1.00 3.21 O ATOM 1143 CB ILE A 66 4.593 7.851 -4.913 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.875 8.416 -4.298 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.852 7.184 -6.266 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.801 8.976 -5.379 1.00 42.45 C ATOM 0 H ILE A 66 3.795 9.170 -2.969 1.00 54.04 H new ATOM 0 HA ILE A 66 3.871 9.619 -5.802 1.00 32.11 H new ATOM 0 HB ILE A 66 4.226 7.079 -4.237 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.625 9.202 -3.585 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.391 7.634 -3.742 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.621 6.420 -6.154 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.932 6.723 -6.627 1.00 33.32 H new ATOM 0 HG23 ILE A 66 5.188 7.933 -6.983 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.705 9.371 -4.915 1.00 42.45 H new ATOM 0 HD12 ILE A 66 7.069 8.182 -6.076 1.00 42.45 H new ATOM 0 HD13 ILE A 66 6.291 9.775 -5.917 1.00 42.45 H new ATOM 1158 N ILE A 67 1.379 7.938 -4.535 1.00 34.24 N ATOM 1159 CA ILE A 67 0.061 7.404 -4.832 1.00 32.34 C ATOM 1160 C ILE A 67 -0.867 8.547 -5.247 1.00 73.40 C ATOM 1161 O ILE A 67 -1.267 8.637 -6.406 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.462 6.583 -3.651 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.350 5.300 -3.471 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.958 6.299 -3.802 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.024 4.260 -4.529 1.00 74.11 C ATOM 0 H ILE A 67 1.633 7.921 -3.547 1.00 34.24 H new ATOM 0 HA ILE A 67 0.110 6.713 -5.674 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.335 7.172 -2.743 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.414 5.527 -3.539 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.174 4.891 -2.476 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.305 5.714 -2.950 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.505 7.241 -3.843 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.131 5.739 -4.721 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.568 3.358 -4.378 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.083 4.018 -4.442 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.176 4.663 -5.522 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.183 9.391 -4.276 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.056 10.526 -4.526 1.00 13.42 C ATOM 1179 C ARG A 68 -1.750 11.141 -5.893 1.00 51.22 C ATOM 1180 O ARG A 68 -2.636 11.697 -6.540 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.893 11.595 -3.444 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.604 12.393 -3.652 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.456 13.482 -2.589 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.062 14.744 -3.070 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.172 15.864 -2.323 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.716 15.888 -1.053 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -1.731 16.935 -2.855 1.00 64.55 N ATOM 0 H ARG A 68 -0.850 9.312 -3.315 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.084 10.163 -4.510 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.749 12.269 -3.462 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.879 11.124 -2.461 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.254 11.722 -3.612 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.608 12.846 -4.643 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.938 13.167 -1.664 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.598 13.639 -2.361 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.419 14.769 -4.025 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.284 15.056 -0.650 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -0.803 16.738 -0.496 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -2.072 16.908 -3.816 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -1.822 17.789 -2.305 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.493 11.020 -6.292 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.058 11.558 -7.570 1.00 45.24 C ATOM 1202 C ARG A 69 -0.698 10.776 -8.720 1.00 0.14 C ATOM 1203 O ARG A 69 -1.286 11.367 -9.625 1.00 4.20 O ATOM 1204 CB ARG A 69 1.465 11.495 -7.705 1.00 70.32 C ATOM 1205 CG ARG A 69 2.115 12.774 -7.177 1.00 44.21 C ATOM 1206 CD ARG A 69 2.017 13.904 -8.203 1.00 0.22 C ATOM 1207 NE ARG A 69 0.737 14.628 -8.038 1.00 10.40 N ATOM 1208 CZ ARG A 69 0.145 15.350 -9.013 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.713 15.451 -10.233 1.00 43.44 N ATOM 1210 NH2 ARG A 69 -1.000 15.956 -8.756 1.00 11.44 N ATOM 0 H ARG A 69 0.239 10.557 -5.753 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.372 12.601 -7.615 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.847 10.635 -7.155 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.735 11.350 -8.751 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.629 13.077 -6.250 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.162 12.583 -6.940 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.853 14.593 -8.078 1.00 0.22 H new ATOM 0 HD3 ARG A 69 2.087 13.497 -9.212 1.00 0.22 H new ATOM 0 HE ARG A 69 0.273 14.578 -7.131 1.00 10.40 H new ATOM 0 HH11 ARG A 69 1.597 14.980 -10.425 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.258 15.999 -10.963 1.00 43.44 H new ATOM 0 HH21 ARG A 69 -1.424 15.875 -7.832 1.00 11.44 H new ATOM 0 HH22 ARG A 69 -1.460 16.505 -9.482 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.562 9.460 -8.646 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.120 8.593 -9.670 1.00 12.55 C ATOM 1225 C ARG A 70 -2.642 8.734 -9.714 1.00 23.22 C ATOM 1226 O ARG A 70 -3.266 8.449 -10.735 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.758 7.129 -9.406 1.00 25.13 C ATOM 1228 CG ARG A 70 0.395 6.679 -10.305 1.00 50.40 C ATOM 1229 CD ARG A 70 1.720 6.676 -9.539 1.00 24.25 C ATOM 1230 NE ARG A 70 2.830 7.042 -10.446 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.950 8.243 -11.049 1.00 71.15 C ATOM 1232 NH1 ARG A 70 2.026 9.206 -10.847 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.983 8.463 -11.840 1.00 40.12 N ATOM 0 H ARG A 70 -0.074 8.974 -7.894 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.697 8.895 -10.628 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.479 7.003 -8.360 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.629 6.498 -9.582 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.192 5.680 -10.690 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.470 7.343 -11.166 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.671 7.380 -8.708 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.900 5.690 -9.111 1.00 24.25 H new ATOM 0 HE ARG A 70 3.550 6.342 -10.627 1.00 54.32 H new ATOM 0 HH11 ARG A 70 1.230 9.028 -10.235 1.00 51.00 H new ATOM 0 HH12 ARG A 70 2.124 10.111 -11.307 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.677 7.730 -11.988 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.088 9.366 -12.303 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.197 9.176 -8.594 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.634 9.359 -8.493 1.00 61.25 C ATOM 1248 C LEU A 71 -4.988 10.800 -8.868 1.00 45.53 C ATOM 1249 O LEU A 71 -6.162 11.161 -8.918 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.130 8.944 -7.106 1.00 11.24 C ATOM 1251 CG LEU A 71 -4.882 7.487 -6.712 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.003 7.300 -5.199 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -5.809 6.546 -7.483 1.00 31.15 C ATOM 0 H LEU A 71 -2.677 9.412 -7.749 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.152 8.710 -9.199 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.654 9.586 -6.365 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.202 9.136 -7.053 1.00 11.24 H new ATOM 0 HG LEU A 71 -3.860 7.228 -6.987 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.822 6.255 -4.946 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.268 7.928 -4.695 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.005 7.583 -4.876 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -5.612 5.516 -7.184 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -6.847 6.796 -7.262 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.629 6.654 -8.553 1.00 31.15 H new ATOM 1265 N GLN A 72 -3.950 11.583 -9.121 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.137 12.977 -9.490 1.00 2.32 C ATOM 1267 C GLN A 72 -5.440 13.513 -8.896 1.00 41.52 C ATOM 1268 O GLN A 72 -6.232 14.143 -9.595 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.115 13.149 -11.009 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.045 12.142 -11.689 1.00 10.21 C ATOM 1271 CD GLN A 72 -4.243 11.067 -12.428 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -3.119 10.712 -11.812 1.00 5.54 O flip ATOM 1273 NE2 GLN A 72 -4.622 10.593 -13.486 1.00 53.14 N flip ATOM 0 H GLN A 72 -2.977 11.280 -9.078 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.309 13.556 -9.080 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.420 14.163 -11.268 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.098 13.017 -11.379 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.687 11.673 -10.943 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -5.698 12.661 -12.391 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.496 10.912 -13.904 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -4.065 9.878 -13.953 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.623 13.242 -7.611 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.818 13.690 -6.915 1.00 53.22 C ATOM 1284 C LEU A 73 -6.664 15.167 -6.544 1.00 1.12 C ATOM 1285 O LEU A 73 -5.695 15.812 -6.942 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.112 12.783 -5.719 1.00 60.03 C ATOM 1287 CG LEU A 73 -6.948 11.282 -5.959 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.520 10.564 -4.677 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.222 10.678 -6.555 1.00 40.04 C ATOM 0 H LEU A 73 -4.964 12.718 -7.034 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.689 13.614 -7.566 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.456 13.073 -4.898 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.135 12.969 -5.390 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.152 11.140 -6.689 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.411 9.498 -4.876 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.568 10.969 -4.334 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.276 10.713 -3.906 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.078 9.610 -6.716 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.054 10.832 -5.868 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.443 11.161 -7.507 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.634 15.659 -5.789 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.619 17.047 -5.360 1.00 74.20 C ATOM 1303 C ASN A 74 -7.860 17.112 -3.851 1.00 51.40 C ATOM 1304 O ASN A 74 -8.081 16.087 -3.208 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.724 17.849 -6.051 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.310 19.311 -6.230 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -7.174 19.627 -6.542 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.293 20.181 -6.017 1.00 1.30 N ATOM 0 H ASN A 74 -8.437 15.121 -5.463 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.649 17.471 -5.621 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -8.945 17.408 -7.023 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.639 17.796 -5.462 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.118 21.181 -6.112 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.222 19.848 -5.758 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.808 18.329 -3.328 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.018 18.542 -1.907 1.00 24.42 C ATOM 1317 C ALA A 75 -9.452 18.153 -1.543 1.00 44.43 C ATOM 1318 O ALA A 75 -9.755 17.907 -0.376 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.701 19.998 -1.556 1.00 14.40 C ATOM 0 H ALA A 75 -7.623 19.177 -3.864 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.348 17.912 -1.322 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.859 20.158 -0.489 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.662 20.215 -1.806 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.356 20.660 -2.123 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.296 18.110 -2.562 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.691 17.755 -2.366 1.00 24.12 C ATOM 1327 C ASN A 76 -11.806 16.240 -2.181 1.00 74.34 C ATOM 1328 O ASN A 76 -12.662 15.765 -1.437 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.536 18.149 -3.579 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.959 17.598 -3.457 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.512 17.029 -4.383 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -14.517 17.799 -2.267 1.00 33.55 N ATOM 0 H ASN A 76 -10.040 18.315 -3.528 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.054 18.287 -1.486 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.569 19.235 -3.667 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -12.072 17.769 -4.489 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -15.465 17.469 -2.086 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.997 18.283 -1.535 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.931 15.524 -2.871 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.923 14.073 -2.792 1.00 23.14 C ATOM 1341 C GLN A 77 -9.931 13.605 -1.725 1.00 75.30 C ATOM 1342 O GLN A 77 -8.723 13.766 -1.883 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.600 13.452 -4.152 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.336 11.951 -4.020 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.628 11.192 -3.710 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.579 11.195 -4.474 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.608 10.542 -2.549 1.00 2.12 N ATOM 0 H GLN A 77 -10.222 15.921 -3.488 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.920 13.738 -2.505 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.430 13.620 -4.839 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.726 13.942 -4.581 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.900 11.572 -4.945 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.608 11.774 -3.229 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.779 10.581 -1.957 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.422 10.004 -2.251 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.479 13.032 -0.663 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.658 12.539 0.429 1.00 43.41 C ATOM 1358 C ALA A 78 -9.073 11.178 0.046 1.00 61.31 C ATOM 1359 O ALA A 78 -9.772 10.333 -0.510 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.493 12.477 1.709 1.00 61.34 C ATOM 0 H ALA A 78 -11.482 12.898 -0.536 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.824 13.215 0.618 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.876 12.107 2.528 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.860 13.474 1.953 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.339 11.806 1.560 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.797 11.009 0.361 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.111 9.764 0.058 1.00 50.43 C ATOM 1368 C PHE A 79 -6.215 9.335 1.221 1.00 43.02 C ATOM 1369 O PHE A 79 -5.486 10.151 1.783 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.238 10.024 -1.173 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.927 9.236 -1.183 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.950 7.877 -1.239 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.737 9.893 -1.135 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.734 7.145 -1.249 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.521 9.162 -1.144 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.544 7.803 -1.202 1.00 20.55 C ATOM 0 H PHE A 79 -7.221 11.713 0.823 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.838 8.971 -0.117 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.807 9.774 -2.069 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -6.011 11.089 -1.226 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.894 7.355 -1.276 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -3.718 10.972 -1.090 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.753 6.066 -1.294 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.577 9.685 -1.105 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.618 7.247 -1.211 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.299 8.054 1.548 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.505 7.505 2.634 1.00 53.43 C ATOM 1388 C PHE A 80 -5.039 6.084 2.310 1.00 1.31 C ATOM 1389 O PHE A 80 -5.833 5.249 1.883 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.406 7.462 3.870 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.487 8.790 4.627 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.360 9.344 5.150 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -7.685 9.416 4.778 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -5.434 10.576 5.853 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -7.759 10.648 5.481 1.00 2.11 C ATOM 1396 CZ PHE A 80 -6.631 11.201 6.003 1.00 53.22 C ATOM 0 H PHE A 80 -6.905 7.380 1.080 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.621 8.121 2.795 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.410 7.167 3.565 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.040 6.691 4.548 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.409 8.847 5.031 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -8.580 8.976 4.363 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -4.539 11.016 6.268 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -8.710 11.145 5.601 1.00 2.11 H new ATOM 0 HZ PHE A 80 -6.687 12.138 6.537 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.752 5.855 2.526 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.169 4.550 2.262 1.00 10.45 C ATOM 1408 C LEU A 81 -3.119 3.746 3.563 1.00 41.41 C ATOM 1409 O LEU A 81 -2.337 4.057 4.460 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.809 4.698 1.578 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.243 3.434 0.929 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.333 2.375 0.750 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.540 3.761 -0.390 1.00 32.24 C ATOM 0 H LEU A 81 -3.096 6.551 2.881 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.791 3.990 1.564 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.892 5.470 0.812 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.091 5.056 2.315 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.492 3.014 1.598 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.904 1.486 0.287 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.748 2.112 1.723 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.124 2.771 0.113 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.147 2.844 -0.830 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.251 4.218 -1.078 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.280 4.454 -0.203 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.964 2.726 3.624 1.00 11.13 N ATOM 1426 CA LEU A 82 -4.026 1.875 4.800 1.00 2.41 C ATOM 1427 C LEU A 82 -2.955 0.788 4.694 1.00 23.30 C ATOM 1428 O LEU A 82 -3.106 -0.165 3.932 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.442 1.328 4.991 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.467 2.306 5.569 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.881 3.080 6.752 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -7.005 3.240 4.483 1.00 2.33 C ATOM 0 H LEU A 82 -4.611 2.470 2.878 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.808 2.451 5.700 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.808 0.978 4.026 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.389 0.459 5.647 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.312 1.731 5.948 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.630 3.768 7.144 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.586 2.381 7.534 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -5.008 3.644 6.422 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.732 3.925 4.920 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -6.182 3.810 4.053 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.486 2.651 3.702 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.896 0.967 5.470 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.800 0.013 5.474 1.00 54.23 C ATOM 1446 C VAL A 83 -1.205 -1.220 6.285 1.00 0.12 C ATOM 1447 O VAL A 83 -1.349 -1.145 7.504 1.00 11.13 O ATOM 1448 CB VAL A 83 0.473 0.680 5.996 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.529 -0.364 6.364 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.024 1.682 4.980 1.00 25.30 C ATOM 0 H VAL A 83 -1.774 1.759 6.101 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.582 -0.322 4.460 1.00 54.23 H new ATOM 0 HB VAL A 83 0.215 1.229 6.902 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.424 0.138 6.732 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.136 -1.021 7.140 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.780 -0.954 5.482 1.00 75.33 H new ATOM 0 HG21 VAL A 83 1.929 2.142 5.377 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.257 1.165 4.049 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.279 2.454 4.789 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.378 -2.325 5.575 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.764 -3.572 6.214 1.00 22.42 C ATOM 1462 C ASN A 84 -3.170 -3.426 6.800 1.00 41.23 C ATOM 1463 O ASN A 84 -3.623 -4.284 7.556 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.809 -3.924 7.356 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.063 -5.227 7.067 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.202 -5.056 6.694 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.601 -6.318 7.174 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.258 -2.383 4.564 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.732 -4.360 5.462 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.093 -3.115 7.498 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.369 -4.020 8.286 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.577 -6.379 7.465 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.075 -7.168 6.972 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.821 -2.334 6.428 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.165 -2.065 6.908 1.00 4.21 C ATOM 1476 C GLY A 85 -5.152 -1.013 8.020 1.00 61.15 C ATOM 1477 O GLY A 85 -6.160 -0.802 8.691 1.00 20.01 O ATOM 0 H GLY A 85 -3.442 -1.625 5.800 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.787 -1.719 6.083 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.613 -2.986 7.280 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.997 -0.382 8.179 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.839 0.642 9.197 1.00 11.12 C ATOM 1483 C HIS A 86 -3.214 1.892 8.574 1.00 50.33 C ATOM 1484 O HIS A 86 -2.263 1.796 7.800 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.037 0.107 10.385 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.755 -0.590 9.998 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.610 0.095 9.634 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.451 -1.917 9.922 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.336 -0.789 9.352 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.187 -2.036 9.531 1.00 4.14 N ATOM 0 H HIS A 86 -3.163 -0.560 7.620 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.816 0.924 9.590 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.801 0.935 11.053 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.661 -0.588 10.947 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.511 1.109 9.590 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -2.124 -2.733 10.142 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.344 -0.562 9.036 1.00 52.33 H new ATOM 1498 N SER A 87 -3.773 3.037 8.937 1.00 21.12 N ATOM 1499 CA SER A 87 -3.282 4.305 8.424 1.00 35.33 C ATOM 1500 C SER A 87 -1.803 4.474 8.776 1.00 12.03 C ATOM 1501 O SER A 87 -1.244 3.677 9.528 1.00 44.20 O ATOM 1502 CB SER A 87 -4.096 5.475 8.978 1.00 21.01 C ATOM 1503 OG SER A 87 -5.093 5.043 9.900 1.00 72.54 O ATOM 0 H SER A 87 -4.561 3.113 9.580 1.00 21.12 H new ATOM 0 HA SER A 87 -3.393 4.301 7.340 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.427 6.180 9.471 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.571 6.008 8.154 1.00 21.01 H new ATOM 0 HG SER A 87 -5.367 5.797 10.462 1.00 72.54 H new ATOM 1509 N MET A 88 -1.209 5.518 8.215 1.00 23.44 N ATOM 1510 CA MET A 88 0.194 5.802 8.460 1.00 70.11 C ATOM 1511 C MET A 88 0.400 7.274 8.824 1.00 34.21 C ATOM 1512 O MET A 88 1.438 7.855 8.511 1.00 30.24 O ATOM 1513 CB MET A 88 1.009 5.467 7.209 1.00 23.21 C ATOM 1514 CG MET A 88 0.221 5.792 5.938 1.00 12.04 C ATOM 1515 SD MET A 88 -0.202 7.526 5.907 1.00 73.31 S ATOM 1516 CE MET A 88 -1.963 7.412 5.643 1.00 51.33 C ATOM 0 H MET A 88 -1.675 6.177 7.591 1.00 23.44 H new ATOM 0 HA MET A 88 0.528 5.189 9.297 1.00 70.11 H new ATOM 0 HB2 MET A 88 1.942 6.030 7.217 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.275 4.410 7.216 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.813 5.538 5.059 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.685 5.188 5.898 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.247 8.048 4.805 1.00 51.33 H new ATOM 0 HE2 MET A 88 -2.232 6.379 5.422 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.487 7.739 6.541 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.605 7.834 9.481 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.547 9.226 9.892 1.00 62.21 C ATOM 1528 C VAL A 89 0.658 9.432 10.812 1.00 24.13 C ATOM 1529 O VAL A 89 1.081 10.564 11.042 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.872 9.637 10.540 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.213 8.720 11.715 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.836 11.101 10.979 1.00 72.21 C ATOM 0 H VAL A 89 -1.464 7.349 9.739 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.410 9.874 9.026 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.659 9.531 9.793 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.158 9.033 12.158 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -2.300 7.693 11.361 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -1.424 8.780 12.464 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.789 11.367 11.436 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.034 11.244 11.703 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.659 11.737 10.111 1.00 72.21 H new ATOM 1542 N SER A 90 1.177 8.321 11.312 1.00 43.15 N ATOM 1543 CA SER A 90 2.325 8.366 12.203 1.00 5.54 C ATOM 1544 C SER A 90 3.583 7.917 11.456 1.00 40.34 C ATOM 1545 O SER A 90 4.554 7.484 12.074 1.00 35.33 O ATOM 1546 CB SER A 90 2.099 7.490 13.437 1.00 14.32 C ATOM 1547 OG SER A 90 0.752 7.553 13.896 1.00 2.52 O ATOM 0 H SER A 90 0.824 7.384 11.118 1.00 43.15 H new ATOM 0 HA SER A 90 2.457 9.394 12.541 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.353 6.457 13.200 1.00 14.32 H new ATOM 0 HB3 SER A 90 2.769 7.808 14.235 1.00 14.32 H new ATOM 0 HG SER A 90 0.648 6.979 14.684 1.00 2.52 H new ATOM 1553 N VAL A 91 3.524 8.035 10.138 1.00 73.43 N ATOM 1554 CA VAL A 91 4.647 7.648 9.301 1.00 23.12 C ATOM 1555 C VAL A 91 5.952 8.081 9.972 1.00 2.11 C ATOM 1556 O VAL A 91 6.363 9.233 9.850 1.00 34.04 O ATOM 1557 CB VAL A 91 4.477 8.227 7.895 1.00 41.51 C ATOM 1558 CG1 VAL A 91 3.760 9.578 7.943 1.00 4.23 C ATOM 1559 CG2 VAL A 91 5.826 8.346 7.184 1.00 15.53 C ATOM 0 H VAL A 91 2.716 8.393 9.629 1.00 73.43 H new ATOM 0 HA VAL A 91 4.683 6.564 9.189 1.00 23.12 H new ATOM 0 HB VAL A 91 3.857 7.539 7.321 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.652 9.968 6.931 1.00 4.23 H new ATOM 0 HG12 VAL A 91 2.774 9.451 8.391 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.343 10.278 8.542 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.676 8.760 6.187 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.482 9.003 7.755 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.283 7.360 7.102 1.00 15.53 H new ATOM 1569 N SER A 92 6.566 7.134 10.666 1.00 1.13 N ATOM 1570 CA SER A 92 7.815 7.403 11.357 1.00 51.40 C ATOM 1571 C SER A 92 8.836 6.308 11.037 1.00 74.42 C ATOM 1572 O SER A 92 9.880 6.221 11.682 1.00 22.05 O ATOM 1573 CB SER A 92 7.599 7.503 12.867 1.00 12.45 C ATOM 1574 OG SER A 92 7.160 8.801 13.260 1.00 11.51 O ATOM 0 H SER A 92 6.221 6.179 10.764 1.00 1.13 H new ATOM 0 HA SER A 92 8.199 8.362 11.009 1.00 51.40 H new ATOM 0 HB2 SER A 92 6.862 6.762 13.177 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.529 7.263 13.383 1.00 12.45 H new ATOM 0 HG SER A 92 7.032 8.823 14.231 1.00 11.51 H new ATOM 1580 N THR A 93 8.499 5.502 10.042 1.00 61.14 N ATOM 1581 CA THR A 93 9.373 4.417 9.629 1.00 63.22 C ATOM 1582 C THR A 93 9.598 4.458 8.117 1.00 21.35 C ATOM 1583 O THR A 93 8.693 4.809 7.361 1.00 40.15 O ATOM 1584 CB THR A 93 8.759 3.103 10.117 1.00 14.31 C ATOM 1585 OG1 THR A 93 8.869 3.172 11.535 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.601 1.885 9.736 1.00 72.01 C ATOM 0 H THR A 93 7.633 5.578 9.509 1.00 61.14 H new ATOM 0 HA THR A 93 10.363 4.516 10.075 1.00 63.22 H new ATOM 0 HB THR A 93 7.757 2.995 9.701 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.492 2.359 11.932 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.120 0.980 10.107 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.691 1.830 8.651 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.593 1.976 10.178 1.00 72.01 H new ATOM 1594 N PRO A 94 10.841 4.086 7.710 1.00 14.14 N ATOM 1595 CA PRO A 94 11.196 4.077 6.301 1.00 74.20 C ATOM 1596 C PRO A 94 10.565 2.883 5.584 1.00 15.02 C ATOM 1597 O PRO A 94 10.533 1.777 6.122 1.00 45.33 O ATOM 1598 CB PRO A 94 12.715 4.049 6.278 1.00 44.34 C ATOM 1599 CG PRO A 94 13.144 3.575 7.657 1.00 22.42 C ATOM 1600 CD PRO A 94 11.937 3.664 8.577 1.00 54.04 C ATOM 0 HA PRO A 94 10.819 4.949 5.767 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.082 3.377 5.502 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.121 5.037 6.061 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.514 2.551 7.611 1.00 22.42 H new ATOM 0 HG3 PRO A 94 13.959 4.191 8.036 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.724 2.703 9.045 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.104 4.380 9.381 1.00 54.04 H new ATOM 1608 N ILE A 95 10.079 3.145 4.379 1.00 43.23 N ATOM 1609 CA ILE A 95 9.451 2.105 3.583 1.00 11.34 C ATOM 1610 C ILE A 95 10.330 0.851 3.604 1.00 4.52 C ATOM 1611 O ILE A 95 9.828 -0.265 3.478 1.00 11.01 O ATOM 1612 CB ILE A 95 9.147 2.619 2.174 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.137 1.713 1.466 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.433 2.787 1.362 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.856 2.480 1.130 1.00 23.35 C ATOM 0 H ILE A 95 10.108 4.063 3.935 1.00 43.23 H new ATOM 0 HA ILE A 95 8.488 1.827 4.011 1.00 11.34 H new ATOM 0 HB ILE A 95 8.690 3.605 2.261 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.578 1.315 0.552 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.899 0.861 2.102 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.189 3.153 0.365 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.087 3.502 1.861 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.940 1.826 1.281 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.154 1.814 0.627 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.405 2.856 2.049 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.095 3.317 0.474 1.00 23.35 H new ATOM 1627 N SER A 96 11.625 1.079 3.765 1.00 11.42 N ATOM 1628 CA SER A 96 12.577 -0.017 3.804 1.00 51.52 C ATOM 1629 C SER A 96 12.279 -0.927 4.998 1.00 41.31 C ATOM 1630 O SER A 96 12.300 -2.151 4.871 1.00 24.42 O ATOM 1631 CB SER A 96 14.014 0.503 3.880 1.00 73.11 C ATOM 1632 OG SER A 96 14.160 1.526 4.862 1.00 50.12 O ATOM 0 H SER A 96 12.037 2.006 3.870 1.00 11.42 H new ATOM 0 HA SER A 96 12.475 -0.591 2.883 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.686 -0.322 4.114 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.311 0.891 2.906 1.00 73.11 H new ATOM 0 HG SER A 96 15.091 1.831 4.881 1.00 50.12 H new ATOM 1638 N GLU A 97 12.008 -0.295 6.130 1.00 73.25 N ATOM 1639 CA GLU A 97 11.706 -1.032 7.345 1.00 22.40 C ATOM 1640 C GLU A 97 10.254 -1.514 7.326 1.00 74.43 C ATOM 1641 O GLU A 97 9.990 -2.707 7.472 1.00 53.53 O ATOM 1642 CB GLU A 97 11.985 -0.181 8.586 1.00 24.31 C ATOM 1643 CG GLU A 97 13.490 -0.006 8.803 1.00 14.32 C ATOM 1644 CD GLU A 97 13.777 0.600 10.178 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.844 -0.132 11.177 1.00 33.11 O ATOM 1646 OE2 GLU A 97 13.935 1.881 10.188 1.00 21.14 O ATOM 0 H GLU A 97 11.991 0.720 6.232 1.00 73.25 H new ATOM 0 HA GLU A 97 12.358 -1.905 7.389 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.514 0.796 8.475 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.540 -0.652 9.462 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.989 -0.971 8.715 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.901 0.637 8.025 1.00 14.32 H new ATOM 1654 N VAL A 98 9.350 -0.562 7.145 1.00 73.03 N ATOM 1655 CA VAL A 98 7.932 -0.875 7.106 1.00 14.31 C ATOM 1656 C VAL A 98 7.716 -2.138 6.269 1.00 14.23 C ATOM 1657 O VAL A 98 6.772 -2.890 6.506 1.00 62.31 O ATOM 1658 CB VAL A 98 7.145 0.329 6.585 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.740 -0.084 6.142 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.084 1.440 7.635 1.00 53.40 C ATOM 0 H VAL A 98 9.572 0.426 7.024 1.00 73.03 H new ATOM 0 HA VAL A 98 7.558 -1.082 8.109 1.00 14.31 H new ATOM 0 HB VAL A 98 7.670 0.720 5.713 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.202 0.791 5.776 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.813 -0.825 5.346 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.203 -0.512 6.988 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.519 2.284 7.239 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.594 1.065 8.534 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.095 1.764 7.881 1.00 53.40 H new ATOM 1670 N TYR A 99 8.605 -2.331 5.306 1.00 23.41 N ATOM 1671 CA TYR A 99 8.524 -3.490 4.433 1.00 72.23 C ATOM 1672 C TYR A 99 8.933 -4.764 5.174 1.00 41.42 C ATOM 1673 O TYR A 99 8.231 -5.772 5.118 1.00 44.51 O ATOM 1674 CB TYR A 99 9.517 -3.232 3.298 1.00 73.42 C ATOM 1675 CG TYR A 99 9.869 -4.479 2.484 1.00 71.20 C ATOM 1676 CD1 TYR A 99 9.008 -4.927 1.502 1.00 10.12 C ATOM 1677 CD2 TYR A 99 11.046 -5.157 2.731 1.00 72.44 C ATOM 1678 CE1 TYR A 99 9.339 -6.101 0.735 1.00 13.41 C ATOM 1679 CE2 TYR A 99 11.376 -6.330 1.965 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.506 -6.744 1.005 1.00 12.34 C ATOM 1681 OH TYR A 99 10.819 -7.853 0.282 1.00 34.03 O ATOM 0 H TYR A 99 9.386 -1.704 5.111 1.00 23.41 H new ATOM 0 HA TYR A 99 7.505 -3.630 4.073 1.00 72.23 H new ATOM 0 HB2 TYR A 99 9.100 -2.479 2.629 1.00 73.42 H new ATOM 0 HB3 TYR A 99 10.432 -2.814 3.718 1.00 73.42 H new ATOM 0 HD1 TYR A 99 8.087 -4.398 1.309 1.00 10.12 H new ATOM 0 HD2 TYR A 99 11.719 -4.807 3.499 1.00 72.44 H new ATOM 0 HE1 TYR A 99 8.675 -6.462 -0.037 1.00 13.41 H new ATOM 0 HE2 TYR A 99 12.294 -6.869 2.148 1.00 65.15 H new ATOM 0 HH TYR A 99 9.995 -8.308 0.008 1.00 34.03 H new ATOM 1691 N GLU A 100 10.069 -4.678 5.851 1.00 24.12 N ATOM 1692 CA GLU A 100 10.581 -5.812 6.602 1.00 10.14 C ATOM 1693 C GLU A 100 9.881 -5.909 7.959 1.00 24.24 C ATOM 1694 O GLU A 100 10.124 -6.844 8.721 1.00 64.34 O ATOM 1695 CB GLU A 100 12.098 -5.718 6.772 1.00 52.12 C ATOM 1696 CG GLU A 100 12.506 -4.335 7.285 1.00 41.55 C ATOM 1697 CD GLU A 100 13.841 -4.400 8.032 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.896 -4.562 7.402 1.00 23.53 O ATOM 1699 OE2 GLU A 100 13.754 -4.274 9.313 1.00 74.24 O ATOM 0 H GLU A 100 10.649 -3.840 5.895 1.00 24.12 H new ATOM 0 HA GLU A 100 10.368 -6.721 6.040 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.438 -6.484 7.469 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.588 -5.915 5.818 1.00 52.12 H new ATOM 0 HG2 GLU A 100 12.587 -3.642 6.448 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.733 -3.946 7.948 1.00 41.55 H new ATOM 1707 N SER A 101 9.026 -4.931 8.220 1.00 23.43 N ATOM 1708 CA SER A 101 8.291 -4.895 9.472 1.00 33.22 C ATOM 1709 C SER A 101 6.806 -5.162 9.214 1.00 63.15 C ATOM 1710 O SER A 101 5.997 -5.143 10.141 1.00 0.10 O ATOM 1711 CB SER A 101 8.472 -3.549 10.178 1.00 23.11 C ATOM 1712 OG SER A 101 9.662 -3.515 10.961 1.00 11.13 O ATOM 0 H SER A 101 8.826 -4.158 7.586 1.00 23.43 H new ATOM 0 HA SER A 101 8.687 -5.674 10.124 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.503 -2.751 9.436 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.611 -3.356 10.818 1.00 23.11 H new ATOM 0 HG SER A 101 9.743 -2.640 11.394 1.00 11.13 H new ATOM 1718 N GLU A 102 6.492 -5.405 7.950 1.00 74.03 N ATOM 1719 CA GLU A 102 5.119 -5.676 7.559 1.00 73.55 C ATOM 1720 C GLU A 102 5.060 -6.902 6.644 1.00 44.54 C ATOM 1721 O GLU A 102 4.257 -7.807 6.866 1.00 34.43 O ATOM 1722 CB GLU A 102 4.491 -4.456 6.881 1.00 0.30 C ATOM 1723 CG GLU A 102 4.514 -3.241 7.811 1.00 75.10 C ATOM 1724 CD GLU A 102 3.435 -3.355 8.889 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.419 -4.035 8.680 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.681 -2.708 9.977 1.00 73.01 O ATOM 0 H GLU A 102 7.165 -5.420 7.183 1.00 74.03 H new ATOM 0 HA GLU A 102 4.541 -5.889 8.458 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.032 -4.226 5.963 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.463 -4.682 6.597 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.494 -3.156 8.280 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.359 -2.331 7.231 1.00 75.10 H new ATOM 1734 N ARG A 103 5.920 -6.892 5.637 1.00 73.01 N ATOM 1735 CA ARG A 103 5.976 -7.991 4.689 1.00 11.32 C ATOM 1736 C ARG A 103 5.762 -9.323 5.408 1.00 10.30 C ATOM 1737 O ARG A 103 5.996 -9.428 6.612 1.00 22.34 O ATOM 1738 CB ARG A 103 7.322 -8.022 3.960 1.00 73.24 C ATOM 1739 CG ARG A 103 8.459 -8.364 4.926 1.00 1.11 C ATOM 1740 CD ARG A 103 8.786 -9.859 4.880 1.00 64.23 C ATOM 1741 NE ARG A 103 9.283 -10.308 6.200 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.568 -10.202 6.600 1.00 54.13 C ATOM 1743 NH1 ARG A 103 11.498 -9.659 5.785 1.00 40.42 N ATOM 1744 NH2 ARG A 103 10.902 -10.637 7.801 1.00 53.31 N ATOM 0 H ARG A 103 6.584 -6.139 5.457 1.00 73.01 H new ATOM 0 HA ARG A 103 5.183 -7.838 3.957 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.288 -8.758 3.157 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.512 -7.054 3.497 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.346 -7.786 4.668 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.177 -8.081 5.940 1.00 1.11 H new ATOM 0 HD2 ARG A 103 7.897 -10.426 4.605 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.537 -10.052 4.114 1.00 64.23 H new ATOM 0 HE ARG A 103 8.613 -10.723 6.847 1.00 73.51 H new ATOM 0 HH11 ARG A 103 11.232 -9.325 4.859 1.00 40.42 H new ATOM 0 HH12 ARG A 103 12.467 -9.583 6.096 1.00 40.42 H new ATOM 0 HH21 ARG A 103 10.194 -11.046 8.411 1.00 53.31 H new ATOM 0 HH22 ARG A 103 11.868 -10.565 8.119 1.00 53.31 H new ATOM 1757 N ASP A 104 5.320 -10.310 4.642 1.00 3.22 N ATOM 1758 CA ASP A 104 5.071 -11.632 5.191 1.00 24.23 C ATOM 1759 C ASP A 104 6.055 -12.629 4.574 1.00 52.11 C ATOM 1760 O ASP A 104 6.941 -12.242 3.815 1.00 14.33 O ATOM 1761 CB ASP A 104 3.653 -12.105 4.868 1.00 21.34 C ATOM 1762 CG ASP A 104 2.611 -11.811 5.950 1.00 33.24 C ATOM 1763 OD1 ASP A 104 1.523 -11.291 5.665 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.960 -12.146 7.147 1.00 12.42 O ATOM 0 H ASP A 104 5.128 -10.220 3.644 1.00 3.22 H new ATOM 0 HA ASP A 104 5.194 -11.577 6.273 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.332 -11.635 3.938 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.676 -13.180 4.690 1.00 21.34 H new ATOM 1770 N GLU A 105 5.863 -13.892 4.922 1.00 4.45 N ATOM 1771 CA GLU A 105 6.721 -14.948 4.412 1.00 23.41 C ATOM 1772 C GLU A 105 6.877 -14.819 2.895 1.00 43.50 C ATOM 1773 O GLU A 105 7.889 -15.236 2.334 1.00 71.12 O ATOM 1774 CB GLU A 105 6.179 -16.328 4.791 1.00 74.25 C ATOM 1775 CG GLU A 105 6.046 -16.465 6.309 1.00 61.33 C ATOM 1776 CD GLU A 105 7.306 -15.963 7.019 1.00 54.43 C ATOM 1777 OE1 GLU A 105 7.290 -14.876 7.613 1.00 41.24 O ATOM 1778 OE2 GLU A 105 8.326 -16.749 6.937 1.00 31.11 O ATOM 0 H GLU A 105 5.125 -14.209 5.551 1.00 4.45 H new ATOM 0 HA GLU A 105 7.704 -14.842 4.870 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.208 -16.483 4.321 1.00 74.25 H new ATOM 0 HB3 GLU A 105 6.845 -17.102 4.409 1.00 74.25 H new ATOM 0 HG2 GLU A 105 5.180 -15.899 6.654 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.869 -17.509 6.569 1.00 61.33 H new ATOM 1786 N ASP A 106 5.859 -14.239 2.275 1.00 14.21 N ATOM 1787 CA ASP A 106 5.870 -14.049 0.835 1.00 71.01 C ATOM 1788 C ASP A 106 6.959 -13.038 0.466 1.00 12.41 C ATOM 1789 O ASP A 106 7.727 -13.261 -0.468 1.00 41.35 O ATOM 1790 CB ASP A 106 4.530 -13.503 0.341 1.00 4.22 C ATOM 1791 CG ASP A 106 3.884 -12.457 1.251 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.550 -11.525 1.728 1.00 41.53 O ATOM 1793 OD2 ASP A 106 2.624 -12.627 1.468 1.00 55.23 O ATOM 0 H ASP A 106 5.021 -13.895 2.744 1.00 14.21 H new ATOM 0 HA ASP A 106 6.058 -15.016 0.369 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.675 -13.064 -0.646 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.837 -14.336 0.221 1.00 4.22 H new ATOM 1799 N GLY A 107 6.989 -11.950 1.219 1.00 33.44 N ATOM 1800 CA GLY A 107 7.970 -10.904 0.984 1.00 23.13 C ATOM 1801 C GLY A 107 7.349 -9.730 0.222 1.00 31.21 C ATOM 1802 O GLY A 107 8.052 -8.805 -0.179 1.00 13.31 O ATOM 0 H GLY A 107 6.350 -11.769 1.993 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.369 -10.554 1.936 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.808 -11.308 0.416 1.00 23.13 H new ATOM 1806 N PHE A 108 6.039 -9.809 0.046 1.00 52.33 N ATOM 1807 CA PHE A 108 5.315 -8.765 -0.660 1.00 14.14 C ATOM 1808 C PHE A 108 4.474 -7.929 0.308 1.00 21.33 C ATOM 1809 O PHE A 108 3.768 -8.476 1.154 1.00 22.32 O ATOM 1810 CB PHE A 108 4.385 -9.461 -1.655 1.00 51.42 C ATOM 1811 CG PHE A 108 4.495 -8.932 -3.086 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.750 -7.614 -3.307 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.340 -9.780 -4.138 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.854 -7.123 -4.635 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.444 -9.289 -5.467 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.698 -7.971 -5.687 1.00 4.21 C ATOM 0 H PHE A 108 5.460 -10.579 0.380 1.00 52.33 H new ATOM 0 HA PHE A 108 6.017 -8.097 -1.158 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.604 -10.529 -1.656 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.356 -9.347 -1.315 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.873 -6.941 -2.472 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.138 -10.826 -3.963 1.00 32.51 H new ATOM 0 HE1 PHE A 108 5.057 -6.077 -4.810 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.321 -9.962 -6.303 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.776 -7.598 -6.697 1.00 4.21 H new ATOM 1826 N LEU A 109 4.579 -6.618 0.151 1.00 21.41 N ATOM 1827 CA LEU A 109 3.838 -5.701 1.000 1.00 35.21 C ATOM 1828 C LEU A 109 2.385 -5.635 0.525 1.00 20.13 C ATOM 1829 O LEU A 109 2.115 -5.716 -0.672 1.00 53.12 O ATOM 1830 CB LEU A 109 4.530 -4.338 1.050 1.00 71.00 C ATOM 1831 CG LEU A 109 5.360 -4.053 2.304 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.499 -3.417 3.398 1.00 10.31 C ATOM 1833 CD2 LEU A 109 6.066 -5.319 2.793 1.00 53.35 C ATOM 0 H LEU A 109 5.166 -6.169 -0.552 1.00 21.41 H new ATOM 0 HA LEU A 109 3.823 -6.063 2.028 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.181 -4.251 0.180 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.769 -3.563 0.958 1.00 71.00 H new ATOM 0 HG LEU A 109 6.135 -3.332 2.045 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.113 -3.225 4.278 1.00 10.31 H new ATOM 0 HD12 LEU A 109 4.083 -2.478 3.033 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.688 -4.095 3.663 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.649 -5.089 3.685 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.324 -6.081 3.031 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.729 -5.690 2.012 1.00 53.35 H new ATOM 1845 N TYR A 110 1.487 -5.489 1.489 1.00 30.44 N ATOM 1846 CA TYR A 110 0.068 -5.412 1.184 1.00 32.34 C ATOM 1847 C TYR A 110 -0.582 -4.224 1.896 1.00 41.52 C ATOM 1848 O TYR A 110 -0.523 -4.121 3.120 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.548 -6.708 1.715 1.00 11.21 C ATOM 1850 CG TYR A 110 0.070 -7.977 1.127 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.334 -8.433 -0.112 1.00 40.13 C ATOM 1852 CD2 TYR A 110 1.033 -8.667 1.835 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.248 -9.628 -0.665 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.616 -9.862 1.281 1.00 23.30 C ATOM 1855 CZ TYR A 110 1.194 -10.283 0.058 1.00 64.21 C ATOM 1856 OH TYR A 110 1.744 -11.413 -0.464 1.00 75.44 O ATOM 0 H TYR A 110 1.714 -5.422 2.481 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.088 -5.283 0.113 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.439 -6.732 2.799 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.617 -6.704 1.502 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.087 -7.893 -0.667 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.349 -8.311 2.804 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.060 -9.996 -1.633 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.371 -10.411 1.824 1.00 23.30 H new ATOM 0 HH TYR A 110 1.729 -12.125 0.209 1.00 75.44 H new ATOM 1866 N MET A 111 -1.185 -3.354 1.099 1.00 11.54 N ATOM 1867 CA MET A 111 -1.844 -2.177 1.637 1.00 54.55 C ATOM 1868 C MET A 111 -3.093 -1.828 0.825 1.00 15.42 C ATOM 1869 O MET A 111 -3.124 -2.024 -0.389 1.00 64.01 O ATOM 1870 CB MET A 111 -0.875 -0.992 1.614 1.00 60.14 C ATOM 1871 CG MET A 111 0.565 -1.460 1.839 1.00 4.13 C ATOM 1872 SD MET A 111 1.661 -0.052 1.894 1.00 11.21 S ATOM 1873 CE MET A 111 3.105 -0.751 1.111 1.00 41.54 C ATOM 0 H MET A 111 -1.231 -3.441 0.084 1.00 11.54 H new ATOM 0 HA MET A 111 -2.147 -2.391 2.662 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.948 -0.475 0.657 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.153 -0.274 2.386 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.633 -2.021 2.771 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.866 -2.135 1.038 1.00 4.13 H new ATOM 0 HE1 MET A 111 3.971 -0.616 1.759 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.945 -1.815 0.936 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.282 -0.249 0.160 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.094 -1.319 1.529 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.343 -0.943 0.889 1.00 51.41 C ATOM 1885 C VAL A 112 -5.512 0.576 0.965 1.00 34.21 C ATOM 1886 O VAL A 112 -5.178 1.192 1.976 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.507 -1.706 1.524 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.837 -0.998 1.256 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.547 -3.154 1.032 1.00 14.04 C ATOM 0 H VAL A 112 -4.065 -1.158 2.536 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.329 -1.217 -0.166 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.348 -1.724 2.602 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.648 -1.561 1.718 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.806 0.007 1.678 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -8.005 -0.935 0.181 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.384 -3.674 1.499 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.670 -3.167 -0.051 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.616 -3.654 1.297 1.00 14.04 H new ATOM 1899 N TYR A 113 -6.030 1.136 -0.118 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.247 2.572 -0.187 1.00 64.13 C ATOM 1901 C TYR A 113 -7.728 2.893 -0.395 1.00 45.34 C ATOM 1902 O TYR A 113 -8.443 2.143 -1.059 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.457 3.060 -1.403 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.197 2.898 -2.733 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.260 3.724 -3.034 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.801 1.926 -3.629 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.957 3.571 -4.286 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.498 1.775 -4.880 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.542 2.604 -5.146 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.199 2.461 -6.328 1.00 43.21 O ATOM 0 H TYR A 113 -6.306 0.622 -0.955 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.930 3.053 0.738 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.208 4.112 -1.263 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.515 2.514 -1.454 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.569 4.484 -2.332 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.969 1.279 -3.392 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.791 4.211 -4.535 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.198 1.020 -5.591 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.073 3.266 -6.872 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.146 4.008 0.186 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.530 4.438 0.073 1.00 1.44 C ATOM 1922 C ALA A 114 -9.628 5.925 0.420 1.00 2.12 C ATOM 1923 O ALA A 114 -8.626 6.554 0.758 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.409 3.569 0.976 1.00 12.02 C ATOM 0 H ALA A 114 -7.551 4.627 0.737 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.889 4.314 -0.949 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.447 3.891 0.892 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.326 2.526 0.670 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.080 3.670 2.010 1.00 12.02 H new ATOM 1930 N SER A 115 -10.843 6.443 0.324 1.00 54.31 N ATOM 1931 CA SER A 115 -11.085 7.844 0.623 1.00 61.52 C ATOM 1932 C SER A 115 -11.423 8.012 2.106 1.00 53.55 C ATOM 1933 O SER A 115 -12.067 8.986 2.493 1.00 63.34 O ATOM 1934 CB SER A 115 -12.211 8.407 -0.245 1.00 1.23 C ATOM 1935 OG SER A 115 -12.547 9.744 0.116 1.00 60.44 O ATOM 0 H SER A 115 -11.671 5.918 0.043 1.00 54.31 H new ATOM 0 HA SER A 115 -10.177 8.403 0.398 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.910 8.379 -1.292 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.093 7.774 -0.150 1.00 1.23 H new ATOM 0 HG SER A 115 -12.303 9.901 1.052 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.973 7.048 2.896 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.221 7.076 4.327 1.00 53.23 C ATOM 1943 C GLN A 116 -10.081 6.381 5.076 1.00 50.42 C ATOM 1944 O GLN A 116 -9.545 5.379 4.606 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.568 6.437 4.664 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.717 6.232 6.173 1.00 21.34 C ATOM 1947 CD GLN A 116 -12.945 7.566 6.888 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -12.411 8.597 6.515 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -13.764 7.487 7.931 1.00 55.11 N ATOM 0 H GLN A 116 -10.438 6.242 2.572 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.261 8.117 4.649 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.376 7.070 4.298 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.658 5.478 4.153 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.553 5.561 6.372 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.822 5.752 6.568 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.177 6.591 8.188 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -13.980 8.323 8.474 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.745 6.940 6.229 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.681 6.387 7.048 1.00 34.21 C ATOM 1960 C GLU A 117 -9.211 6.031 8.438 1.00 42.32 C ATOM 1961 O GLU A 117 -8.477 5.493 9.267 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.501 7.356 7.142 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.799 7.236 8.497 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.579 8.156 8.565 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.908 8.373 7.545 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.337 8.655 9.730 1.00 14.44 O ATOM 0 H GLU A 117 -10.192 7.771 6.616 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.321 5.474 6.573 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.791 7.149 6.341 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.853 8.378 7.000 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.496 7.490 9.296 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.490 6.204 8.661 1.00 44.23 H new ATOM 1974 N THR A 118 -10.480 6.345 8.652 1.00 32.30 N ATOM 1975 CA THR A 118 -11.116 6.065 9.928 1.00 34.24 C ATOM 1976 C THR A 118 -12.521 5.501 9.710 1.00 33.31 C ATOM 1977 O THR A 118 -13.513 6.154 10.032 1.00 43.32 O ATOM 1978 CB THR A 118 -11.100 7.352 10.757 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.878 8.267 9.991 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.713 7.996 10.810 1.00 11.22 C ATOM 0 H THR A 118 -11.085 6.791 7.963 1.00 32.30 H new ATOM 0 HA THR A 118 -10.573 5.298 10.481 1.00 34.24 H new ATOM 0 HB THR A 118 -11.439 7.136 11.770 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.922 9.128 10.456 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.757 8.905 11.410 1.00 11.22 H new ATOM 0 HG22 THR A 118 -9.005 7.299 11.258 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.388 8.243 9.799 1.00 11.22 H new ATOM 2085 N ASP B 337 8.598 -6.086 -14.906 1.00 34.41 N ATOM 2086 CA ASP B 337 8.915 -4.903 -14.125 1.00 41.12 C ATOM 2087 C ASP B 337 7.616 -4.206 -13.712 1.00 44.23 C ATOM 2088 O ASP B 337 6.697 -4.072 -14.518 1.00 22.34 O ATOM 2089 CB ASP B 337 9.745 -3.910 -14.941 1.00 74.41 C ATOM 2090 CG ASP B 337 8.943 -3.042 -15.913 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.127 -1.818 -15.978 1.00 11.21 O ATOM 2092 OD2 ASP B 337 8.087 -3.682 -16.635 1.00 24.22 O ATOM 0 HA ASP B 337 9.486 -5.219 -13.252 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.282 -3.257 -14.253 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.495 -4.464 -15.506 1.00 74.41 H new ATOM 2098 N TRP B 338 7.582 -3.784 -12.458 1.00 31.21 N ATOM 2099 CA TRP B 338 6.411 -3.106 -11.928 1.00 33.50 C ATOM 2100 C TRP B 338 6.562 -1.610 -12.213 1.00 43.13 C ATOM 2101 O TRP B 338 7.229 -1.221 -13.171 1.00 24.04 O ATOM 2102 CB TRP B 338 6.224 -3.414 -10.441 1.00 13.13 C ATOM 2103 CG TRP B 338 6.543 -4.862 -10.061 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.745 -5.904 -10.880 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.691 -5.387 -8.726 1.00 60.44 C ATOM 2106 NE1 TRP B 338 7.010 -7.059 -10.171 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.977 -6.734 -8.820 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.587 -4.745 -7.478 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.181 -7.555 -7.704 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.794 -5.580 -6.373 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.082 -6.937 -6.451 1.00 22.23 C ATOM 0 H TRP B 338 8.346 -3.898 -11.792 1.00 31.21 H new ATOM 0 HA TRP B 338 5.505 -3.465 -12.416 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.861 -2.748 -9.859 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.194 -3.194 -10.162 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.705 -5.847 -11.958 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.196 -7.981 -10.566 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.365 -3.693 -7.380 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.403 -8.607 -7.804 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.725 -5.138 -5.390 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.229 -7.513 -5.549 1.00 22.23 H new ATOM 2122 N THR B 339 5.933 -0.811 -11.364 1.00 11.15 N ATOM 2123 CA THR B 339 5.989 0.633 -11.512 1.00 63.24 C ATOM 2124 C THR B 339 7.181 1.203 -10.742 1.00 75.25 C ATOM 2125 O THR B 339 7.668 0.583 -9.796 1.00 55.55 O ATOM 2126 CB THR B 339 4.644 1.208 -11.062 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.760 0.904 -12.138 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.650 2.736 -11.005 1.00 73.05 C ATOM 0 H THR B 339 5.381 -1.137 -10.570 1.00 11.15 H new ATOM 0 HA THR B 339 6.149 0.917 -12.552 1.00 63.24 H new ATOM 0 HB THR B 339 4.389 0.810 -10.080 1.00 43.14 H new ATOM 0 HG1 THR B 339 2.838 1.094 -11.867 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.672 3.092 -10.680 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.411 3.071 -10.300 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.871 3.136 -11.994 1.00 73.05 H new ATOM 2136 N HIS B 340 7.619 2.376 -11.173 1.00 23.10 N ATOM 2137 CA HIS B 340 8.745 3.037 -10.535 1.00 53.35 C ATOM 2138 C HIS B 340 8.251 4.257 -9.757 1.00 55.35 C ATOM 2139 O HIS B 340 7.799 5.236 -10.350 1.00 75.31 O ATOM 2140 CB HIS B 340 9.823 3.386 -11.563 1.00 52.13 C ATOM 2141 CG HIS B 340 9.342 3.351 -12.994 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.485 2.238 -13.806 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.718 4.300 -13.749 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.968 2.518 -14.993 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.494 3.796 -14.956 1.00 32.50 N ATOM 0 H HIS B 340 7.214 2.887 -11.958 1.00 23.10 H new ATOM 0 HA HIS B 340 9.212 2.359 -9.820 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.210 4.381 -11.345 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.654 2.690 -11.453 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.451 5.294 -13.420 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.929 1.851 -15.841 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.042 4.284 -15.729 1.00 32.50 H new ATOM 2153 N LEU B 341 8.352 4.160 -8.439 1.00 42.45 N ATOM 2154 CA LEU B 341 7.920 5.243 -7.573 1.00 42.21 C ATOM 2155 C LEU B 341 9.110 6.160 -7.280 1.00 60.12 C ATOM 2156 O LEU B 341 10.030 5.777 -6.558 1.00 1.40 O ATOM 2157 CB LEU B 341 7.247 4.689 -6.316 1.00 45.14 C ATOM 2158 CG LEU B 341 5.932 3.938 -6.536 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.001 4.098 -5.332 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.263 4.373 -7.841 1.00 55.44 C ATOM 0 H LEU B 341 8.727 3.347 -7.950 1.00 42.45 H new ATOM 0 HA LEU B 341 7.163 5.850 -8.070 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.947 4.018 -5.819 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.060 5.517 -5.633 1.00 45.14 H new ATOM 0 HG LEU B 341 6.157 2.876 -6.629 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.074 3.555 -5.514 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.486 3.699 -4.441 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.779 5.154 -5.182 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.331 3.824 -7.973 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.052 5.442 -7.803 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.929 4.164 -8.678 1.00 55.44 H new ATOM 2172 N SER B 342 9.053 7.353 -7.854 1.00 53.43 N ATOM 2173 CA SER B 342 10.114 8.327 -7.663 1.00 62.22 C ATOM 2174 C SER B 342 9.563 9.569 -6.959 1.00 15.10 C ATOM 2175 O SER B 342 8.411 9.946 -7.168 1.00 21.54 O ATOM 2176 CB SER B 342 10.753 8.713 -8.998 1.00 33.03 C ATOM 2177 OG SER B 342 11.082 7.570 -9.783 1.00 21.10 O ATOM 0 H SER B 342 8.288 7.667 -8.452 1.00 53.43 H new ATOM 0 HA SER B 342 10.885 7.876 -7.039 1.00 62.22 H new ATOM 0 HB2 SER B 342 10.068 9.351 -9.556 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.654 9.297 -8.813 1.00 33.03 H new ATOM 0 HG SER B 342 11.486 7.859 -10.628 1.00 21.10 H new ATOM 2183 N SER B 343 10.413 10.170 -6.140 1.00 0.25 N ATOM 2184 CA SER B 343 10.026 11.363 -5.404 1.00 53.03 C ATOM 2185 C SER B 343 10.330 12.612 -6.234 1.00 5.52 C ATOM 2186 O SER B 343 10.185 13.733 -5.750 1.00 30.55 O ATOM 2187 CB SER B 343 10.743 11.434 -4.055 1.00 24.32 C ATOM 2188 OG SER B 343 11.824 12.363 -4.073 1.00 14.53 O ATOM 0 H SER B 343 11.368 9.854 -5.969 1.00 0.25 H new ATOM 0 HA SER B 343 8.954 11.314 -5.213 1.00 53.03 H new ATOM 0 HB2 SER B 343 10.031 11.721 -3.281 1.00 24.32 H new ATOM 0 HB3 SER B 343 11.119 10.445 -3.792 1.00 24.32 H new ATOM 0 HG SER B 343 12.255 12.380 -3.193 1.00 14.53 H new ATOM 2194 N LYS B 344 10.746 12.375 -7.469 1.00 41.31 N ATOM 2195 CA LYS B 344 11.071 13.467 -8.371 1.00 25.42 C ATOM 2196 C LYS B 344 9.923 13.664 -9.362 1.00 71.41 C ATOM 2197 O LYS B 344 9.790 14.731 -9.960 1.00 5.30 O ATOM 2198 CB LYS B 344 12.426 13.224 -9.040 1.00 31.02 C ATOM 2199 CG LYS B 344 12.611 11.743 -9.381 1.00 5.42 C ATOM 2200 CD LYS B 344 13.319 11.003 -8.244 1.00 64.43 C ATOM 2201 CE LYS B 344 14.644 11.681 -7.890 1.00 14.43 C ATOM 2202 NZ LYS B 344 15.598 10.695 -7.336 1.00 22.20 N ATOM 0 H LYS B 344 10.866 11.443 -7.866 1.00 41.31 H new ATOM 0 HA LYS B 344 11.177 14.400 -7.817 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.500 13.822 -9.948 1.00 31.02 H new ATOM 0 HB3 LYS B 344 13.227 13.551 -8.377 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.640 11.285 -9.568 1.00 5.42 H new ATOM 0 HG3 LYS B 344 13.191 11.647 -10.299 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.674 10.976 -7.366 1.00 64.43 H new ATOM 0 HD3 LYS B 344 13.502 9.969 -8.537 1.00 64.43 H new ATOM 0 HE2 LYS B 344 15.069 12.148 -8.778 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.470 12.476 -7.164 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 16.492 11.171 -7.101 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 15.197 10.268 -6.477 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.777 9.951 -8.041 1.00 22.20 H new ATOM 2215 N GLU B 345 9.121 12.619 -9.504 1.00 53.15 N ATOM 2216 CA GLU B 345 7.988 12.664 -10.413 1.00 4.44 C ATOM 2217 C GLU B 345 6.717 13.059 -9.657 1.00 23.22 C ATOM 2218 O GLU B 345 5.645 13.164 -10.250 1.00 21.12 O ATOM 2219 CB GLU B 345 7.806 11.324 -11.129 1.00 53.02 C ATOM 2220 CG GLU B 345 9.118 10.859 -11.763 1.00 14.22 C ATOM 2221 CD GLU B 345 9.215 11.315 -13.220 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.001 10.509 -14.138 1.00 61.52 O ATOM 2223 OE2 GLU B 345 9.524 12.557 -13.383 1.00 24.43 O ATOM 0 H GLU B 345 9.233 11.736 -9.005 1.00 53.15 H new ATOM 0 HA GLU B 345 8.186 13.420 -11.173 1.00 4.44 H new ATOM 0 HB2 GLU B 345 7.454 10.574 -10.421 1.00 53.02 H new ATOM 0 HB3 GLU B 345 7.040 11.420 -11.898 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.960 11.257 -11.197 1.00 14.22 H new ATOM 0 HG3 GLU B 345 9.185 9.772 -11.713 1.00 14.22 H new ATOM 2231 N VAL B 346 6.880 13.267 -8.358 1.00 4.42 N ATOM 2232 CA VAL B 346 5.759 13.647 -7.515 1.00 33.24 C ATOM 2233 C VAL B 346 5.442 15.127 -7.734 1.00 64.22 C ATOM 2234 O VAL B 346 6.010 15.764 -8.621 1.00 4.44 O ATOM 2235 CB VAL B 346 6.066 13.311 -6.055 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.009 11.801 -5.816 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.421 13.882 -5.634 1.00 13.23 C ATOM 0 H VAL B 346 7.771 13.180 -7.869 1.00 4.42 H new ATOM 0 HA VAL B 346 4.868 13.080 -7.785 1.00 33.24 H new ATOM 0 HB VAL B 346 5.299 13.777 -5.436 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.231 11.590 -4.770 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.012 11.432 -6.057 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.743 11.304 -6.450 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.615 13.629 -4.592 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.205 13.459 -6.262 1.00 13.23 H new ATOM 0 HG23 VAL B 346 7.410 14.966 -5.748 1.00 13.23 H new ATOM 2247 N ASP B 347 4.535 15.634 -6.911 1.00 64.45 N ATOM 2248 CA ASP B 347 4.136 17.027 -7.003 1.00 13.23 C ATOM 2249 C ASP B 347 5.044 17.874 -6.110 1.00 41.10 C ATOM 2250 O ASP B 347 5.517 18.932 -6.524 1.00 60.02 O ATOM 2251 CB ASP B 347 2.694 17.220 -6.529 1.00 11.14 C ATOM 2252 CG ASP B 347 1.995 18.467 -7.073 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.157 18.384 -7.983 1.00 44.22 O ATOM 2254 OD2 ASP B 347 2.347 19.576 -6.515 1.00 54.24 O ATOM 0 H ASP B 347 4.065 15.104 -6.177 1.00 64.45 H new ATOM 0 HA ASP B 347 4.217 17.332 -8.046 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.113 16.343 -6.815 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.689 17.265 -5.440 1.00 11.14 H new