USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=29 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 27 HIS : no HD1:sc= -1.56 K(o=-1.9,f=-3.2) USER MOD Set 1.2: A 30 LYS NZ :NH3+ 144:sc= -0.379 (180deg=-1.75!) USER MOD Single : A 15 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc=-0.00572 X(o=-0.0057,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00876 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.327) USER MOD Single : A 43 GLN : amide:sc= -0.332 K(o=-0.33,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ -133:sc= -2.37 (180deg=-4.68!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 0.553 (180deg=-0.0385!) USER MOD Single : A 57 HIS : no HD1:sc= -4.02! C(o=-4!,f=-3.9!) USER MOD Single : A 59 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.1) USER MOD Single : A 60 MET CE :methyl 142:sc= -4.8! (180deg=-6.53!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -110:sc= -0.342 (180deg=-0.916) USER MOD Single : A 72 GLN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.53) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.48 F(o=-3.9!,f=-2.5) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.339 F(o=-1.1,f=-0.34) USER MOD Single : A 86 HIS : +bothHN:sc= -8.51! C(o=-8.5!,f=-12!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.111 USER MOD Single : A 88 MET CE :methyl -144:sc= -2.07 (180deg=-3.63!) 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 85:sc= 1.01 USER MOD Single : A 96 SER OG : rot 180:sc= -0.686 USER MOD Single : A 99 TYR OH : rot 137:sc= 1.13 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 103:sc= -1.81! USER MOD Single : A 111 MET CE :methyl -149:sc= -5.82! (180deg=-8.42!) USER MOD Single : A 113 TYR OH : rot 37:sc= 1.04 USER MOD Single : A 115 SER OG : rot -31:sc= 1.03 USER MOD Single : A 116 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 75:sc= -0.117 USER MOD Single : B 340 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.42) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 47:sc= 1.06 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.662 -17.362 -3.226 1.00 41.44 N ATOM 222 CA PHE A 13 0.524 -16.916 -2.515 1.00 63.33 C ATOM 223 C PHE A 13 1.785 -17.163 -3.344 1.00 44.41 C ATOM 224 O PHE A 13 2.523 -16.227 -3.651 1.00 20.03 O ATOM 225 CB PHE A 13 0.607 -17.737 -1.226 1.00 2.14 C ATOM 226 CG PHE A 13 1.269 -17.000 -0.060 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.927 -15.712 0.211 1.00 5.52 C ATOM 228 CD2 PHE A 13 2.197 -17.633 0.706 1.00 23.23 C ATOM 229 CE1 PHE A 13 1.540 -15.028 1.293 1.00 33.33 C ATOM 230 CE2 PHE A 13 2.811 -16.948 1.787 1.00 5.13 C ATOM 231 CZ PHE A 13 2.469 -15.660 2.059 1.00 61.43 C ATOM 0 HA PHE A 13 0.457 -15.847 -2.314 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.400 -18.033 -0.931 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.163 -18.653 -1.426 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.189 -15.210 -0.397 1.00 5.52 H new ATOM 0 HD2 PHE A 13 2.467 -18.657 0.492 1.00 23.23 H new ATOM 0 HE1 PHE A 13 1.269 -14.005 1.508 1.00 33.33 H new ATOM 0 HE2 PHE A 13 3.550 -17.450 2.394 1.00 5.13 H new ATOM 0 HZ PHE A 13 2.935 -15.140 2.883 1.00 61.43 H new ATOM 241 N GLU A 14 1.994 -18.425 -3.685 1.00 55.44 N ATOM 242 CA GLU A 14 3.154 -18.806 -4.474 1.00 2.44 C ATOM 243 C GLU A 14 3.265 -17.922 -5.716 1.00 21.01 C ATOM 244 O GLU A 14 4.367 -17.603 -6.160 1.00 32.24 O ATOM 245 CB GLU A 14 3.095 -20.287 -4.857 1.00 3.33 C ATOM 246 CG GLU A 14 3.128 -21.177 -3.613 1.00 34.15 C ATOM 247 CD GLU A 14 4.555 -21.317 -3.077 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.410 -21.921 -3.741 1.00 44.41 O ATOM 249 OE2 GLU A 14 4.762 -20.768 -1.928 1.00 21.22 O ATOM 0 H GLU A 14 1.380 -19.198 -3.430 1.00 55.44 H new ATOM 0 HA GLU A 14 4.047 -18.658 -3.866 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.186 -20.483 -5.425 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.936 -20.532 -5.506 1.00 3.33 H new ATOM 0 HG2 GLU A 14 2.486 -20.753 -2.841 1.00 34.15 H new ATOM 0 HG3 GLU A 14 2.728 -22.162 -3.855 1.00 34.15 H new ATOM 257 N GLN A 15 2.107 -17.550 -6.243 1.00 45.15 N ATOM 258 CA GLN A 15 2.060 -16.708 -7.427 1.00 41.13 C ATOM 259 C GLN A 15 2.411 -15.264 -7.065 1.00 53.54 C ATOM 260 O GLN A 15 3.070 -14.569 -7.839 1.00 72.22 O ATOM 261 CB GLN A 15 0.688 -16.785 -8.101 1.00 53.44 C ATOM 262 CG GLN A 15 0.694 -16.050 -9.442 1.00 54.20 C ATOM 263 CD GLN A 15 1.235 -16.948 -10.558 1.00 14.33 C ATOM 264 OE1 GLN A 15 2.166 -16.606 -11.268 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.602 -18.112 -10.670 1.00 10.33 N ATOM 0 H GLN A 15 1.195 -17.816 -5.872 1.00 45.15 H new ATOM 0 HA GLN A 15 2.800 -17.075 -8.139 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.413 -17.828 -8.255 1.00 53.44 H new ATOM 0 HB3 GLN A 15 -0.067 -16.349 -7.447 1.00 53.44 H new ATOM 0 HG2 GLN A 15 -0.318 -15.727 -9.688 1.00 54.20 H new ATOM 0 HG3 GLN A 15 1.306 -15.151 -9.365 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.170 -18.335 -10.042 1.00 10.33 H new ATOM 0 HE22 GLN A 15 0.889 -18.782 -11.384 1.00 10.33 H new ATOM 274 N ARG A 16 1.958 -14.854 -5.890 1.00 3.03 N ATOM 275 CA ARG A 16 2.217 -13.504 -5.417 1.00 14.35 C ATOM 276 C ARG A 16 3.657 -13.386 -4.914 1.00 53.10 C ATOM 277 O ARG A 16 4.172 -12.281 -4.750 1.00 3.11 O ATOM 278 CB ARG A 16 1.257 -13.123 -4.288 1.00 24.11 C ATOM 279 CG ARG A 16 0.958 -11.622 -4.307 1.00 72.42 C ATOM 280 CD ARG A 16 -0.497 -11.348 -3.918 1.00 11.40 C ATOM 281 NE ARG A 16 -0.970 -10.110 -4.574 1.00 51.11 N ATOM 282 CZ ARG A 16 -1.098 -9.962 -5.910 1.00 12.01 C ATOM 283 NH1 ARG A 16 -0.786 -10.976 -6.744 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.531 -8.811 -6.388 1.00 73.11 N ATOM 0 H ARG A 16 1.413 -15.433 -5.251 1.00 3.03 H new ATOM 0 HA ARG A 16 2.064 -12.823 -6.254 1.00 14.35 H new ATOM 0 HB2 ARG A 16 0.328 -13.684 -4.391 1.00 24.11 H new ATOM 0 HB3 ARG A 16 1.692 -13.399 -3.327 1.00 24.11 H new ATOM 0 HG2 ARG A 16 1.626 -11.106 -3.618 1.00 72.42 H new ATOM 0 HG3 ARG A 16 1.154 -11.221 -5.301 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -1.125 -12.189 -4.212 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.581 -11.251 -2.836 1.00 11.40 H new ATOM 0 HE ARG A 16 -1.215 -9.318 -3.980 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -0.451 -11.862 -6.366 1.00 15.11 H new ATOM 0 HH12 ARG A 16 -0.885 -10.856 -7.752 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -1.763 -8.049 -5.751 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.633 -8.683 -7.395 1.00 73.11 H new ATOM 297 N VAL A 17 4.267 -14.540 -4.683 1.00 23.21 N ATOM 298 CA VAL A 17 5.637 -14.579 -4.203 1.00 72.24 C ATOM 299 C VAL A 17 6.591 -14.347 -5.375 1.00 12.31 C ATOM 300 O VAL A 17 7.361 -13.389 -5.374 1.00 41.11 O ATOM 301 CB VAL A 17 5.898 -15.897 -3.471 1.00 61.12 C ATOM 302 CG1 VAL A 17 7.308 -15.927 -2.880 1.00 70.24 C ATOM 303 CG2 VAL A 17 4.844 -16.141 -2.388 1.00 4.10 C ATOM 0 H VAL A 17 3.837 -15.455 -4.820 1.00 23.21 H new ATOM 0 HA VAL A 17 5.811 -13.782 -3.480 1.00 72.24 H new ATOM 0 HB VAL A 17 5.823 -16.704 -4.199 1.00 61.12 H new ATOM 0 HG11 VAL A 17 7.467 -16.875 -2.365 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.040 -15.822 -3.680 1.00 70.24 H new ATOM 0 HG13 VAL A 17 7.423 -15.106 -2.172 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.053 -17.084 -1.883 1.00 4.10 H new ATOM 0 HG22 VAL A 17 4.872 -15.327 -1.663 1.00 4.10 H new ATOM 0 HG23 VAL A 17 3.856 -16.185 -2.846 1.00 4.10 H new ATOM 313 N GLU A 18 6.509 -15.242 -6.349 1.00 25.41 N ATOM 314 CA GLU A 18 7.356 -15.148 -7.526 1.00 5.04 C ATOM 315 C GLU A 18 7.450 -13.694 -7.997 1.00 14.13 C ATOM 316 O GLU A 18 8.474 -13.279 -8.537 1.00 42.13 O ATOM 317 CB GLU A 18 6.842 -16.054 -8.646 1.00 74.55 C ATOM 318 CG GLU A 18 5.731 -15.366 -9.442 1.00 43.23 C ATOM 319 CD GLU A 18 4.933 -16.382 -10.261 1.00 34.23 C ATOM 320 OE1 GLU A 18 4.507 -16.076 -11.384 1.00 42.32 O ATOM 321 OE2 GLU A 18 4.761 -17.527 -9.691 1.00 63.31 O ATOM 0 H GLU A 18 5.869 -16.036 -6.347 1.00 25.41 H new ATOM 0 HA GLU A 18 8.356 -15.489 -7.258 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.664 -16.315 -9.313 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.467 -16.985 -8.222 1.00 74.55 H new ATOM 0 HG2 GLU A 18 5.064 -14.839 -8.760 1.00 43.23 H new ATOM 0 HG3 GLU A 18 6.164 -14.618 -10.106 1.00 43.23 H new ATOM 329 N ASP A 19 6.369 -12.962 -7.773 1.00 32.14 N ATOM 330 CA ASP A 19 6.317 -11.565 -8.168 1.00 24.24 C ATOM 331 C ASP A 19 7.467 -10.807 -7.500 1.00 51.31 C ATOM 332 O ASP A 19 8.367 -10.315 -8.179 1.00 42.23 O ATOM 333 CB ASP A 19 5.004 -10.916 -7.725 1.00 51.12 C ATOM 334 CG ASP A 19 4.545 -9.735 -8.583 1.00 40.34 C ATOM 335 OD1 ASP A 19 3.417 -9.722 -9.100 1.00 21.13 O ATOM 336 OD2 ASP A 19 5.410 -8.789 -8.715 1.00 21.13 O ATOM 0 H ASP A 19 5.522 -13.310 -7.323 1.00 32.14 H new ATOM 0 HA ASP A 19 6.394 -11.519 -9.254 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.221 -11.675 -7.729 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.113 -10.577 -6.695 1.00 51.12 H new ATOM 342 N VAL A 20 7.400 -10.739 -6.179 1.00 71.23 N ATOM 343 CA VAL A 20 8.424 -10.050 -5.412 1.00 54.42 C ATOM 344 C VAL A 20 9.803 -10.554 -5.843 1.00 35.23 C ATOM 345 O VAL A 20 10.712 -9.760 -6.079 1.00 13.24 O ATOM 346 CB VAL A 20 8.164 -10.227 -3.914 1.00 4.51 C ATOM 347 CG1 VAL A 20 8.920 -11.438 -3.367 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.528 -8.957 -3.142 1.00 35.51 C ATOM 0 H VAL A 20 6.652 -11.150 -5.620 1.00 71.23 H new ATOM 0 HA VAL A 20 8.393 -8.978 -5.609 1.00 54.42 H new ATOM 0 HB VAL A 20 7.098 -10.408 -3.777 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.718 -11.542 -2.301 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.591 -12.338 -3.888 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.990 -11.299 -3.522 1.00 23.14 H new ATOM 0 HG21 VAL A 20 8.334 -9.109 -2.080 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.584 -8.732 -3.290 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.925 -8.125 -3.506 1.00 35.51 H new ATOM 358 N ARG A 21 9.915 -11.871 -5.933 1.00 73.35 N ATOM 359 CA ARG A 21 11.167 -12.490 -6.333 1.00 12.33 C ATOM 360 C ARG A 21 11.765 -11.753 -7.532 1.00 3.32 C ATOM 361 O ARG A 21 12.982 -11.597 -7.626 1.00 20.04 O ATOM 362 CB ARG A 21 10.962 -13.962 -6.697 1.00 32.23 C ATOM 363 CG ARG A 21 12.297 -14.710 -6.725 1.00 24.21 C ATOM 364 CD ARG A 21 12.899 -14.704 -8.131 1.00 65.53 C ATOM 365 NE ARG A 21 14.169 -15.463 -8.141 1.00 31.50 N ATOM 366 CZ ARG A 21 14.254 -16.793 -8.354 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.141 -17.524 -8.576 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.442 -17.369 -8.341 1.00 2.31 N ATOM 0 H ARG A 21 9.159 -12.527 -5.736 1.00 73.35 H new ATOM 0 HA ARG A 21 11.852 -12.429 -5.487 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.294 -14.430 -5.974 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.479 -14.036 -7.671 1.00 32.23 H new ATOM 0 HG2 ARG A 21 12.993 -14.246 -6.026 1.00 24.21 H new ATOM 0 HG3 ARG A 21 12.149 -15.738 -6.393 1.00 24.21 H new ATOM 0 HD2 ARG A 21 12.197 -15.145 -8.838 1.00 65.53 H new ATOM 0 HD3 ARG A 21 13.076 -13.679 -8.455 1.00 65.53 H new ATOM 0 HE ARG A 21 15.034 -14.949 -7.977 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.227 -17.072 -8.584 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.214 -18.529 -8.736 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.278 -16.810 -8.172 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.524 -18.373 -8.500 1.00 2.31 H new ATOM 381 N LEU A 22 10.882 -11.320 -8.420 1.00 21.23 N ATOM 382 CA LEU A 22 11.308 -10.603 -9.610 1.00 44.20 C ATOM 383 C LEU A 22 11.974 -9.289 -9.198 1.00 44.01 C ATOM 384 O LEU A 22 13.169 -9.099 -9.416 1.00 64.33 O ATOM 385 CB LEU A 22 10.135 -10.422 -10.575 1.00 45.15 C ATOM 386 CG LEU A 22 9.496 -11.709 -11.103 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.089 -11.556 -12.570 1.00 14.41 C ATOM 388 CD2 LEU A 22 10.418 -12.909 -10.885 1.00 33.03 C ATOM 0 H LEU A 22 9.874 -11.452 -8.339 1.00 21.23 H new ATOM 0 HA LEU A 22 12.054 -11.181 -10.156 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.365 -9.837 -10.073 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.478 -9.834 -11.426 1.00 45.15 H new ATOM 0 HG LEU A 22 8.585 -11.897 -10.534 1.00 0.33 H new ATOM 0 HD11 LEU A 22 8.638 -12.484 -12.921 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.369 -10.743 -12.665 1.00 14.41 H new ATOM 0 HD13 LEU A 22 9.970 -11.331 -13.171 1.00 14.41 H new ATOM 0 HD21 LEU A 22 9.940 -13.810 -11.269 1.00 33.03 H new ATOM 0 HD22 LEU A 22 11.359 -12.745 -11.411 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.614 -13.028 -9.819 1.00 33.03 H new ATOM 400 N ILE A 23 11.170 -8.415 -8.609 1.00 72.43 N ATOM 401 CA ILE A 23 11.667 -7.124 -8.165 1.00 73.03 C ATOM 402 C ILE A 23 12.820 -7.337 -7.182 1.00 50.41 C ATOM 403 O ILE A 23 13.601 -6.421 -6.929 1.00 52.54 O ATOM 404 CB ILE A 23 10.524 -6.278 -7.598 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.003 -5.290 -8.642 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.952 -5.575 -6.307 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.489 -6.024 -9.882 1.00 24.34 C ATOM 0 H ILE A 23 10.179 -8.576 -8.429 1.00 72.43 H new ATOM 0 HA ILE A 23 12.066 -6.558 -9.007 1.00 73.03 H new ATOM 0 HB ILE A 23 9.699 -6.944 -7.345 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.201 -4.690 -8.212 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.799 -4.602 -8.926 1.00 62.53 H new ATOM 0 HG21 ILE A 23 10.122 -4.980 -5.924 1.00 72.53 H new ATOM 0 HG22 ILE A 23 11.237 -6.320 -5.564 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.801 -4.923 -6.512 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.124 -5.299 -10.609 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.299 -6.604 -10.323 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.677 -6.693 -9.598 1.00 24.34 H new ATOM 419 N ARG A 24 12.893 -8.551 -6.657 1.00 12.34 N ATOM 420 CA ARG A 24 13.938 -8.895 -5.709 1.00 45.23 C ATOM 421 C ARG A 24 15.253 -9.162 -6.443 1.00 1.14 C ATOM 422 O ARG A 24 16.329 -8.867 -5.924 1.00 74.04 O ATOM 423 CB ARG A 24 13.557 -10.132 -4.894 1.00 34.14 C ATOM 424 CG ARG A 24 12.567 -9.775 -3.784 1.00 13.13 C ATOM 425 CD ARG A 24 13.299 -9.286 -2.533 1.00 0.34 C ATOM 426 NE ARG A 24 14.566 -8.623 -2.914 1.00 52.12 N ATOM 427 CZ ARG A 24 15.762 -9.249 -2.966 1.00 54.35 C ATOM 428 NH1 ARG A 24 15.863 -10.560 -2.660 1.00 71.43 N ATOM 429 NH2 ARG A 24 16.830 -8.559 -3.320 1.00 1.01 N ATOM 0 H ARG A 24 12.245 -9.309 -6.871 1.00 12.34 H new ATOM 0 HA ARG A 24 14.061 -8.051 -5.031 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.117 -10.883 -5.550 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.453 -10.575 -4.458 1.00 34.14 H new ATOM 0 HG2 ARG A 24 11.884 -9.002 -4.136 1.00 13.13 H new ATOM 0 HG3 ARG A 24 11.961 -10.647 -3.538 1.00 13.13 H new ATOM 0 HD2 ARG A 24 12.667 -8.591 -1.980 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.504 -10.126 -1.870 1.00 0.34 H new ATOM 0 HE ARG A 24 14.534 -7.632 -3.152 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.032 -11.085 -2.387 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.770 -11.025 -2.702 1.00 71.43 H new ATOM 0 HH21 ARG A 24 16.745 -7.569 -3.549 1.00 1.01 H new ATOM 0 HH22 ARG A 24 17.741 -9.016 -3.364 1.00 1.01 H new ATOM 442 N GLU A 25 15.124 -9.717 -7.639 1.00 75.54 N ATOM 443 CA GLU A 25 16.289 -10.026 -8.451 1.00 71.24 C ATOM 444 C GLU A 25 16.484 -8.960 -9.530 1.00 4.54 C ATOM 445 O GLU A 25 17.511 -8.936 -10.207 1.00 51.11 O ATOM 446 CB GLU A 25 16.171 -11.420 -9.072 1.00 21.24 C ATOM 447 CG GLU A 25 15.025 -11.472 -10.084 1.00 65.42 C ATOM 448 CD GLU A 25 15.314 -12.493 -11.187 1.00 43.43 C ATOM 449 OE1 GLU A 25 16.486 -12.784 -11.470 1.00 42.04 O ATOM 450 OE2 GLU A 25 14.269 -12.990 -11.757 1.00 50.21 O ATOM 0 H GLU A 25 14.230 -9.961 -8.066 1.00 75.54 H new ATOM 0 HA GLU A 25 17.167 -10.025 -7.805 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.107 -11.684 -9.563 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.003 -12.159 -8.288 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.097 -11.734 -9.575 1.00 65.42 H new ATOM 0 HG3 GLU A 25 14.879 -10.486 -10.525 1.00 65.42 H new ATOM 458 N GLN A 26 15.482 -8.102 -9.657 1.00 42.22 N ATOM 459 CA GLN A 26 15.530 -7.036 -10.643 1.00 1.04 C ATOM 460 C GLN A 26 15.749 -5.687 -9.954 1.00 74.23 C ATOM 461 O GLN A 26 16.581 -4.892 -10.391 1.00 72.32 O ATOM 462 CB GLN A 26 14.258 -7.017 -11.493 1.00 4.32 C ATOM 463 CG GLN A 26 14.248 -8.176 -12.491 1.00 11.50 C ATOM 464 CD GLN A 26 13.319 -7.877 -13.669 1.00 70.32 C ATOM 465 OE1 GLN A 26 13.625 -7.093 -14.552 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.169 -8.545 -13.634 1.00 14.23 N ATOM 0 H GLN A 26 14.632 -8.124 -9.093 1.00 42.22 H new ATOM 0 HA GLN A 26 16.371 -7.223 -11.311 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.383 -7.082 -10.846 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.189 -6.070 -12.029 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.259 -8.354 -12.857 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.924 -9.089 -11.991 1.00 11.50 H new ATOM 0 HE21 GLN A 26 11.975 -9.187 -12.865 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.481 -8.415 -14.376 1.00 14.23 H new ATOM 475 N HIS A 27 14.990 -5.471 -8.891 1.00 51.23 N ATOM 476 CA HIS A 27 15.091 -4.232 -8.139 1.00 52.43 C ATOM 477 C HIS A 27 15.370 -4.546 -6.667 1.00 72.33 C ATOM 478 O HIS A 27 14.483 -4.424 -5.823 1.00 1.33 O ATOM 479 CB HIS A 27 13.840 -3.373 -8.335 1.00 21.24 C ATOM 480 CG HIS A 27 13.582 -2.984 -9.771 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.662 -1.677 -10.219 1.00 31.43 N ATOM 482 CD2 HIS A 27 13.246 -3.742 -10.853 1.00 21.41 C ATOM 483 CE1 HIS A 27 13.383 -1.661 -11.514 1.00 74.54 C ATOM 484 NE2 HIS A 27 13.125 -2.942 -11.906 1.00 22.24 N ATOM 0 H HIS A 27 14.302 -6.133 -8.532 1.00 51.23 H new ATOM 0 HA HIS A 27 15.928 -3.643 -8.514 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.975 -3.917 -7.955 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.936 -2.468 -7.735 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.102 -4.812 -10.854 1.00 21.41 H new ATOM 0 HE1 HIS A 27 13.363 -0.787 -12.148 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.880 -3.236 -12.851 1.00 22.24 H new ATOM 492 N PRO A 28 16.638 -4.957 -6.397 1.00 55.03 N ATOM 493 CA PRO A 28 17.044 -5.290 -5.043 1.00 41.14 C ATOM 494 C PRO A 28 17.237 -4.026 -4.201 1.00 41.12 C ATOM 495 O PRO A 28 17.108 -4.064 -2.979 1.00 74.04 O ATOM 496 CB PRO A 28 18.322 -6.098 -5.203 1.00 22.43 C ATOM 497 CG PRO A 28 18.835 -5.794 -6.601 1.00 40.31 C ATOM 498 CD PRO A 28 17.714 -5.114 -7.371 1.00 2.23 C ATOM 0 HA PRO A 28 16.289 -5.865 -4.507 1.00 41.14 H new ATOM 0 HB2 PRO A 28 19.057 -5.819 -4.448 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.128 -7.164 -5.081 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.712 -5.148 -6.554 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.141 -6.712 -7.103 1.00 40.31 H new ATOM 0 HD2 PRO A 28 18.034 -4.150 -7.767 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.394 -5.717 -8.221 1.00 2.23 H new ATOM 506 N THR A 29 17.544 -2.937 -4.890 1.00 63.23 N ATOM 507 CA THR A 29 17.757 -1.664 -4.222 1.00 35.40 C ATOM 508 C THR A 29 16.432 -0.914 -4.071 1.00 2.51 C ATOM 509 O THR A 29 16.421 0.291 -3.827 1.00 3.01 O ATOM 510 CB THR A 29 18.810 -0.884 -5.013 1.00 72.21 C ATOM 511 OG1 THR A 29 18.212 -0.694 -6.292 1.00 20.14 O ATOM 512 CG2 THR A 29 20.059 -1.719 -5.306 1.00 4.31 C ATOM 0 H THR A 29 17.650 -2.910 -5.904 1.00 63.23 H new ATOM 0 HA THR A 29 18.132 -1.807 -3.209 1.00 35.40 H new ATOM 0 HB THR A 29 19.093 0.010 -4.458 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.826 -0.194 -6.869 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.774 -1.119 -5.869 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.512 -2.038 -4.367 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.781 -2.596 -5.891 1.00 4.31 H new ATOM 520 N LYS A 30 15.347 -1.658 -4.222 1.00 73.12 N ATOM 521 CA LYS A 30 14.019 -1.079 -4.106 1.00 13.34 C ATOM 522 C LYS A 30 13.170 -1.944 -3.172 1.00 74.25 C ATOM 523 O LYS A 30 13.520 -3.088 -2.891 1.00 52.32 O ATOM 524 CB LYS A 30 13.399 -0.877 -5.490 1.00 53.11 C ATOM 525 CG LYS A 30 14.291 0.005 -6.366 1.00 74.24 C ATOM 526 CD LYS A 30 13.800 1.454 -6.365 1.00 31.34 C ATOM 527 CE LYS A 30 14.248 2.186 -7.632 1.00 62.14 C ATOM 528 NZ LYS A 30 13.924 1.387 -8.834 1.00 64.44 N ATOM 0 H LYS A 30 15.360 -2.658 -4.424 1.00 73.12 H new ATOM 0 HA LYS A 30 14.074 -0.086 -3.659 1.00 13.34 H new ATOM 0 HB2 LYS A 30 13.252 -1.844 -5.971 1.00 53.11 H new ATOM 0 HB3 LYS A 30 12.415 -0.419 -5.389 1.00 53.11 H new ATOM 0 HG2 LYS A 30 15.318 -0.035 -6.002 1.00 74.24 H new ATOM 0 HG3 LYS A 30 14.299 -0.379 -7.386 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.712 1.473 -6.295 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.185 1.972 -5.486 1.00 31.34 H new ATOM 0 HE2 LYS A 30 13.757 3.157 -7.691 1.00 62.14 H new ATOM 0 HE3 LYS A 30 15.321 2.373 -7.591 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.647 2.023 -9.609 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 14.758 0.836 -9.120 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 13.139 0.740 -8.619 1.00 64.44 H new ATOM 541 N ILE A 31 12.069 -1.363 -2.717 1.00 11.23 N ATOM 542 CA ILE A 31 11.167 -2.067 -1.821 1.00 34.53 C ATOM 543 C ILE A 31 9.857 -2.363 -2.553 1.00 61.33 C ATOM 544 O ILE A 31 9.142 -1.445 -2.951 1.00 14.43 O ATOM 545 CB ILE A 31 10.981 -1.279 -0.522 1.00 2.23 C ATOM 546 CG1 ILE A 31 12.319 -1.077 0.192 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.945 -1.950 0.381 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.821 -2.388 0.799 1.00 43.44 C ATOM 0 H ILE A 31 11.781 -0.413 -2.952 1.00 11.23 H new ATOM 0 HA ILE A 31 11.593 -3.027 -1.527 1.00 34.53 H new ATOM 0 HB ILE A 31 10.597 -0.290 -0.773 1.00 2.23 H new ATOM 0 HG12 ILE A 31 13.057 -0.693 -0.513 1.00 63.34 H new ATOM 0 HG13 ILE A 31 12.207 -0.328 0.976 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.831 -1.371 1.297 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.988 -2.000 -0.138 1.00 3.42 H new ATOM 0 HG23 ILE A 31 10.277 -2.959 0.628 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.773 -2.216 1.300 1.00 43.44 H new ATOM 0 HD12 ILE A 31 12.093 -2.757 1.521 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.955 -3.127 0.009 1.00 43.44 H new ATOM 560 N PRO A 32 9.575 -3.684 -2.713 1.00 41.13 N ATOM 561 CA PRO A 32 8.364 -4.114 -3.391 1.00 31.23 C ATOM 562 C PRO A 32 7.138 -3.925 -2.494 1.00 60.01 C ATOM 563 O PRO A 32 7.197 -4.182 -1.292 1.00 33.01 O ATOM 564 CB PRO A 32 8.613 -5.568 -3.757 1.00 4.31 C ATOM 565 CG PRO A 32 9.756 -6.032 -2.869 1.00 32.45 C ATOM 566 CD PRO A 32 10.399 -4.799 -2.255 1.00 10.22 C ATOM 0 HA PRO A 32 8.148 -3.524 -4.282 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.720 -6.171 -3.591 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.873 -5.666 -4.811 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.387 -6.699 -2.089 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.487 -6.594 -3.450 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.413 -4.860 -1.167 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.433 -4.687 -2.581 1.00 10.22 H new ATOM 574 N VAL A 33 6.056 -3.478 -3.113 1.00 12.13 N ATOM 575 CA VAL A 33 4.818 -3.251 -2.386 1.00 24.23 C ATOM 576 C VAL A 33 3.631 -3.572 -3.298 1.00 4.32 C ATOM 577 O VAL A 33 3.782 -3.650 -4.516 1.00 1.31 O ATOM 578 CB VAL A 33 4.784 -1.822 -1.843 1.00 41.31 C ATOM 579 CG1 VAL A 33 6.189 -1.345 -1.468 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.131 -0.868 -2.844 1.00 4.04 C ATOM 0 H VAL A 33 6.010 -3.267 -4.110 1.00 12.13 H new ATOM 0 HA VAL A 33 4.755 -3.914 -1.523 1.00 24.23 H new ATOM 0 HB VAL A 33 4.177 -1.823 -0.938 1.00 41.31 H new ATOM 0 HG11 VAL A 33 6.137 -0.326 -1.085 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.603 -2.000 -0.702 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.829 -1.369 -2.350 1.00 5.21 H new ATOM 0 HG21 VAL A 33 4.120 0.141 -2.431 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.698 -0.873 -3.775 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.108 -1.190 -3.040 1.00 4.04 H new ATOM 590 N ILE A 34 2.476 -3.749 -2.671 1.00 53.34 N ATOM 591 CA ILE A 34 1.265 -4.059 -3.411 1.00 0.30 C ATOM 592 C ILE A 34 0.143 -3.123 -2.958 1.00 63.12 C ATOM 593 O ILE A 34 -0.324 -3.211 -1.824 1.00 30.23 O ATOM 594 CB ILE A 34 0.919 -5.544 -3.274 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.596 -6.368 -4.370 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.597 -5.755 -3.252 1.00 40.24 C ATOM 597 CD1 ILE A 34 0.694 -6.491 -5.600 1.00 42.24 C ATOM 0 H ILE A 34 2.354 -3.684 -1.660 1.00 53.34 H new ATOM 0 HA ILE A 34 1.415 -3.887 -4.477 1.00 0.30 H new ATOM 0 HB ILE A 34 1.307 -5.898 -2.319 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.539 -5.900 -4.652 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.834 -7.361 -3.989 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.815 -6.818 -3.154 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.027 -5.217 -2.407 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.030 -5.380 -4.179 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.199 -7.082 -6.364 1.00 42.24 H new ATOM 0 HD12 ILE A 34 -0.238 -6.981 -5.320 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.478 -5.498 -5.993 1.00 42.24 H new ATOM 609 N ILE A 35 -0.257 -2.249 -3.870 1.00 13.32 N ATOM 610 CA ILE A 35 -1.316 -1.296 -3.578 1.00 43.02 C ATOM 611 C ILE A 35 -2.591 -1.717 -4.313 1.00 62.52 C ATOM 612 O ILE A 35 -2.545 -2.069 -5.491 1.00 31.22 O ATOM 613 CB ILE A 35 -0.861 0.127 -3.904 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.629 0.310 -3.602 1.00 62.53 C ATOM 615 CG2 ILE A 35 -1.724 1.160 -3.175 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.858 0.559 -2.109 1.00 12.23 C ATOM 0 H ILE A 35 0.132 -2.180 -4.810 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.546 -1.296 -2.512 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.996 0.291 -4.973 1.00 14.43 H new ATOM 0 HG12 ILE A 35 1.179 -0.577 -3.915 1.00 62.53 H new ATOM 0 HG13 ILE A 35 1.021 1.148 -4.179 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.379 2.163 -3.424 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -2.764 1.047 -3.482 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -1.645 1.006 -2.099 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.924 0.686 -1.921 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.326 1.460 -1.805 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.487 -0.292 -1.537 1.00 12.23 H new ATOM 628 N GLU A 36 -3.697 -1.667 -3.586 1.00 14.05 N ATOM 629 CA GLU A 36 -4.982 -2.039 -4.154 1.00 10.15 C ATOM 630 C GLU A 36 -6.116 -1.331 -3.410 1.00 32.02 C ATOM 631 O GLU A 36 -5.946 -0.910 -2.267 1.00 33.43 O ATOM 632 CB GLU A 36 -5.174 -3.556 -4.130 1.00 14.40 C ATOM 633 CG GLU A 36 -4.703 -4.148 -2.800 1.00 64.41 C ATOM 634 CD GLU A 36 -3.294 -4.730 -2.927 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.137 -5.954 -3.040 1.00 11.42 O ATOM 636 OE2 GLU A 36 -2.341 -3.860 -2.907 1.00 2.44 O ATOM 0 H GLU A 36 -3.730 -1.375 -2.609 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.002 -1.720 -5.196 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -6.226 -3.795 -4.286 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -4.618 -4.009 -4.951 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.713 -3.376 -2.030 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -5.395 -4.927 -2.479 1.00 64.41 H new ATOM 644 N ARG A 37 -7.250 -1.223 -4.087 1.00 33.23 N ATOM 645 CA ARG A 37 -8.411 -0.573 -3.504 1.00 73.24 C ATOM 646 C ARG A 37 -8.939 -1.389 -2.323 1.00 64.52 C ATOM 647 O ARG A 37 -8.810 -2.613 -2.302 1.00 12.04 O ATOM 648 CB ARG A 37 -9.526 -0.407 -4.539 1.00 51.13 C ATOM 649 CG ARG A 37 -10.149 -1.759 -4.896 1.00 1.41 C ATOM 650 CD ARG A 37 -10.808 -1.711 -6.276 1.00 24.11 C ATOM 651 NE ARG A 37 -11.605 -2.938 -6.499 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.114 -3.304 -7.695 1.00 70.24 C ATOM 653 NH1 ARG A 37 -11.913 -2.537 -8.788 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.810 -4.421 -7.779 1.00 44.03 N ATOM 0 H ARG A 37 -7.389 -1.575 -5.034 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.101 0.413 -3.159 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.294 0.259 -4.147 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.126 0.062 -5.438 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.381 -2.532 -4.882 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -10.890 -2.032 -4.144 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.449 -0.832 -6.352 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.045 -1.617 -7.049 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.781 -3.546 -5.699 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.373 -1.675 -8.714 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.301 -2.820 -9.688 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.957 -4.994 -6.948 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -13.201 -4.712 -8.675 1.00 44.03 H new ATOM 667 N TYR A 38 -9.522 -0.680 -1.368 1.00 2.33 N ATOM 668 CA TYR A 38 -10.070 -1.324 -0.186 1.00 20.32 C ATOM 669 C TYR A 38 -11.276 -2.194 -0.544 1.00 54.11 C ATOM 670 O TYR A 38 -12.087 -1.818 -1.389 1.00 13.01 O ATOM 671 CB TYR A 38 -10.527 -0.192 0.737 1.00 12.43 C ATOM 672 CG TYR A 38 -11.544 -0.625 1.795 1.00 11.11 C ATOM 673 CD1 TYR A 38 -12.869 -0.801 1.448 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.137 -0.840 3.096 1.00 42.23 C ATOM 675 CE1 TYR A 38 -13.826 -1.208 2.443 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.094 -1.247 4.092 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.392 -1.411 3.716 1.00 23.24 C ATOM 678 OH TYR A 38 -14.295 -1.796 4.657 1.00 23.44 O ATOM 0 H TYR A 38 -9.627 0.334 -1.388 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.325 -1.968 0.280 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.655 0.230 1.237 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.963 0.603 0.132 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.187 -0.633 0.430 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.101 -0.703 3.367 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -14.865 -1.349 2.185 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -11.789 -1.418 5.114 1.00 42.11 H new ATOM 0 HH TYR A 38 -13.843 -1.904 5.520 1.00 23.44 H new ATOM 688 N LYS A 39 -11.356 -3.340 0.117 1.00 73.55 N ATOM 689 CA LYS A 39 -12.450 -4.266 -0.122 1.00 43.43 C ATOM 690 C LYS A 39 -13.780 -3.554 0.135 1.00 21.11 C ATOM 691 O LYS A 39 -14.260 -3.517 1.267 1.00 3.42 O ATOM 692 CB LYS A 39 -12.264 -5.538 0.706 1.00 73.41 C ATOM 693 CG LYS A 39 -10.938 -6.224 0.369 1.00 61.13 C ATOM 694 CD LYS A 39 -10.471 -7.113 1.523 1.00 10.22 C ATOM 695 CE LYS A 39 -10.273 -6.294 2.800 1.00 52.01 C ATOM 696 NZ LYS A 39 -9.391 -7.015 3.746 1.00 32.44 N ATOM 0 H LYS A 39 -10.681 -3.648 0.817 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.456 -4.588 -1.163 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -12.291 -5.292 1.768 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.090 -6.223 0.517 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.054 -6.825 -0.533 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.179 -5.471 0.155 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.205 -7.899 1.701 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -9.536 -7.604 1.253 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -9.838 -5.325 2.554 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -11.238 -6.101 3.268 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -9.267 -6.446 4.607 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -9.821 -7.929 3.994 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -8.465 -7.178 3.302 1.00 32.44 H new ATOM 709 N GLY A 40 -14.337 -3.006 -0.935 1.00 74.45 N ATOM 710 CA GLY A 40 -15.603 -2.298 -0.841 1.00 3.24 C ATOM 711 C GLY A 40 -15.415 -0.803 -1.106 1.00 12.21 C ATOM 712 O GLY A 40 -16.260 0.008 -0.732 1.00 40.33 O ATOM 0 H GLY A 40 -13.935 -3.038 -1.872 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.310 -2.712 -1.560 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.033 -2.444 0.150 1.00 3.24 H new ATOM 716 N GLU A 41 -14.302 -0.484 -1.750 1.00 33.32 N ATOM 717 CA GLU A 41 -13.992 0.899 -2.070 1.00 32.55 C ATOM 718 C GLU A 41 -14.065 1.123 -3.582 1.00 20.11 C ATOM 719 O GLU A 41 -13.161 0.728 -4.316 1.00 31.05 O ATOM 720 CB GLU A 41 -12.620 1.295 -1.523 1.00 62.14 C ATOM 721 CG GLU A 41 -12.101 2.561 -2.207 1.00 52.41 C ATOM 722 CD GLU A 41 -13.114 3.702 -2.092 1.00 41.41 C ATOM 723 OE1 GLU A 41 -13.492 4.085 -0.976 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.512 4.194 -3.217 1.00 34.32 O ATOM 0 H GLU A 41 -13.603 -1.160 -2.059 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.735 1.537 -1.591 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.687 1.460 -0.448 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.914 0.479 -1.677 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.156 2.862 -1.754 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.899 2.354 -3.258 1.00 52.41 H new ATOM 732 N LYS A 42 -15.150 1.757 -4.003 1.00 64.40 N ATOM 733 CA LYS A 42 -15.353 2.038 -5.414 1.00 2.11 C ATOM 734 C LYS A 42 -15.240 3.545 -5.651 1.00 14.01 C ATOM 735 O LYS A 42 -14.857 3.980 -6.735 1.00 33.23 O ATOM 736 CB LYS A 42 -16.675 1.437 -5.896 1.00 13.31 C ATOM 737 CG LYS A 42 -17.867 2.145 -5.249 1.00 45.50 C ATOM 738 CD LYS A 42 -18.232 3.417 -6.017 1.00 43.25 C ATOM 739 CE LYS A 42 -19.727 3.721 -5.895 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.154 3.662 -4.479 1.00 23.20 N ATOM 0 H LYS A 42 -15.898 2.084 -3.391 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.576 1.562 -6.012 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.743 1.521 -6.981 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -16.704 0.374 -5.656 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.724 1.472 -5.224 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.628 2.396 -4.215 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.654 4.257 -5.632 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.965 3.301 -7.067 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.938 4.709 -6.304 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -20.299 3.004 -6.484 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.087 4.110 -4.379 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.212 2.669 -4.175 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.463 4.165 -3.887 1.00 23.20 H new ATOM 753 N GLN A 43 -15.580 4.301 -4.617 1.00 63.45 N ATOM 754 CA GLN A 43 -15.522 5.751 -4.699 1.00 43.21 C ATOM 755 C GLN A 43 -14.288 6.189 -5.492 1.00 65.15 C ATOM 756 O GLN A 43 -14.399 6.570 -6.656 1.00 23.23 O ATOM 757 CB GLN A 43 -15.528 6.379 -3.304 1.00 65.43 C ATOM 758 CG GLN A 43 -16.957 6.535 -2.780 1.00 61.32 C ATOM 759 CD GLN A 43 -17.733 7.566 -3.602 1.00 0.41 C ATOM 760 OE1 GLN A 43 -17.169 8.398 -4.294 1.00 34.35 O ATOM 761 NE2 GLN A 43 -19.054 7.465 -3.488 1.00 61.50 N ATOM 0 H GLN A 43 -15.896 3.937 -3.718 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.411 6.102 -5.224 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.951 5.758 -2.619 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -15.041 7.353 -3.338 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.469 5.574 -2.819 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.933 6.842 -1.734 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.461 6.745 -2.891 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.660 8.108 -3.998 1.00 61.50 H new ATOM 770 N LEU A 44 -13.144 6.118 -4.830 1.00 70.13 N ATOM 771 CA LEU A 44 -11.891 6.503 -5.458 1.00 74.32 C ATOM 772 C LEU A 44 -11.712 5.711 -6.755 1.00 11.20 C ATOM 773 O LEU A 44 -12.292 4.639 -6.917 1.00 43.35 O ATOM 774 CB LEU A 44 -10.728 6.346 -4.476 1.00 23.41 C ATOM 775 CG LEU A 44 -10.653 7.384 -3.354 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.164 6.748 -2.051 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.790 8.578 -3.768 1.00 10.25 C ATOM 0 H LEU A 44 -13.057 5.800 -3.865 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.909 7.559 -5.728 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.791 5.356 -4.024 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.796 6.381 -5.039 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.659 7.762 -3.171 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.120 7.507 -1.270 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.853 5.958 -1.751 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.171 6.325 -2.203 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.753 9.301 -2.953 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.780 8.236 -3.995 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -10.221 9.049 -4.651 1.00 10.25 H new ATOM 789 N PRO A 45 -10.883 6.284 -7.668 1.00 31.11 N ATOM 790 CA PRO A 45 -10.620 5.643 -8.946 1.00 72.02 C ATOM 791 C PRO A 45 -9.670 4.456 -8.778 1.00 4.31 C ATOM 792 O PRO A 45 -9.043 4.301 -7.732 1.00 31.03 O ATOM 793 CB PRO A 45 -10.049 6.742 -9.827 1.00 14.10 C ATOM 794 CG PRO A 45 -9.580 7.834 -8.880 1.00 24.31 C ATOM 795 CD PRO A 45 -10.179 7.553 -7.511 1.00 12.34 C ATOM 0 HA PRO A 45 -11.517 5.217 -9.396 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.223 6.368 -10.432 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.803 7.121 -10.517 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.492 7.850 -8.824 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.895 8.813 -9.241 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.405 7.485 -6.747 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.859 8.348 -7.206 1.00 12.34 H new ATOM 803 N VAL A 46 -9.594 3.647 -9.826 1.00 55.41 N ATOM 804 CA VAL A 46 -8.731 2.479 -9.808 1.00 62.40 C ATOM 805 C VAL A 46 -7.275 2.923 -9.970 1.00 24.11 C ATOM 806 O VAL A 46 -6.972 3.772 -10.807 1.00 23.43 O ATOM 807 CB VAL A 46 -9.176 1.483 -10.881 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.322 0.214 -10.838 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.662 1.150 -10.736 1.00 2.32 C ATOM 0 H VAL A 46 -10.116 3.778 -10.692 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.808 1.962 -8.852 1.00 62.40 H new ATOM 0 HB VAL A 46 -9.031 1.951 -11.855 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.659 -0.477 -11.610 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.277 0.472 -11.012 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.421 -0.258 -9.860 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.953 0.440 -11.510 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.842 0.711 -9.755 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -11.251 2.061 -10.839 1.00 2.32 H new ATOM 819 N LEU A 47 -6.415 2.328 -9.157 1.00 70.21 N ATOM 820 CA LEU A 47 -4.999 2.652 -9.200 1.00 52.54 C ATOM 821 C LEU A 47 -4.419 2.207 -10.544 1.00 0.41 C ATOM 822 O LEU A 47 -4.777 1.149 -11.059 1.00 44.05 O ATOM 823 CB LEU A 47 -4.276 2.055 -7.991 1.00 21.34 C ATOM 824 CG LEU A 47 -3.200 2.935 -7.351 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.289 3.549 -8.415 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.829 4.001 -6.451 1.00 2.31 C ATOM 0 H LEU A 47 -6.671 1.624 -8.465 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.853 3.730 -9.130 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -5.019 1.814 -7.231 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.815 1.116 -8.296 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.575 2.305 -6.718 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.534 4.170 -7.933 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.800 2.754 -8.978 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.883 4.162 -9.093 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.043 4.613 -6.008 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.491 4.633 -7.043 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.402 3.517 -5.660 1.00 2.31 H new ATOM 838 N ASP A 48 -3.534 3.037 -11.075 1.00 34.23 N ATOM 839 CA ASP A 48 -2.901 2.743 -12.349 1.00 65.12 C ATOM 840 C ASP A 48 -2.473 1.274 -12.374 1.00 61.25 C ATOM 841 O ASP A 48 -2.710 0.572 -13.355 1.00 1.55 O ATOM 842 CB ASP A 48 -1.653 3.603 -12.557 1.00 32.20 C ATOM 843 CG ASP A 48 -0.823 3.251 -13.793 1.00 54.14 C ATOM 844 OD1 ASP A 48 0.342 3.657 -13.916 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.428 2.518 -14.665 1.00 33.14 O ATOM 0 H ASP A 48 -3.240 3.914 -10.646 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.621 2.956 -13.139 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.958 4.647 -12.628 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.019 3.515 -11.675 1.00 32.20 H new ATOM 851 N LYS A 49 -1.849 0.855 -11.283 1.00 34.30 N ATOM 852 CA LYS A 49 -1.386 -0.518 -11.167 1.00 13.11 C ATOM 853 C LYS A 49 -1.533 -0.980 -9.716 1.00 55.44 C ATOM 854 O LYS A 49 -2.048 -0.245 -8.876 1.00 64.03 O ATOM 855 CB LYS A 49 0.037 -0.651 -11.713 1.00 53.23 C ATOM 856 CG LYS A 49 1.006 0.251 -10.945 1.00 52.12 C ATOM 857 CD LYS A 49 1.355 1.499 -11.757 1.00 15.23 C ATOM 858 CE LYS A 49 2.150 1.132 -13.012 1.00 51.44 C ATOM 859 NZ LYS A 49 1.248 1.012 -14.181 1.00 4.25 N ATOM 0 H LYS A 49 -1.653 1.441 -10.472 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.000 -1.180 -11.777 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.363 -1.688 -11.638 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.051 -0.388 -12.771 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.560 0.544 -9.995 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.916 -0.302 -10.712 1.00 52.12 H new ATOM 0 HD2 LYS A 49 0.441 2.020 -12.041 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.936 2.187 -11.142 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.907 1.892 -13.206 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.677 0.191 -12.854 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.466 0.137 -14.699 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.260 0.986 -13.856 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.384 1.829 -14.810 1.00 4.25 H new ATOM 872 N THR A 50 -1.073 -2.197 -9.468 1.00 62.40 N ATOM 873 CA THR A 50 -1.147 -2.768 -8.133 1.00 12.42 C ATOM 874 C THR A 50 0.258 -3.032 -7.587 1.00 13.32 C ATOM 875 O THR A 50 0.421 -3.340 -6.407 1.00 13.53 O ATOM 876 CB THR A 50 -2.019 -4.023 -8.202 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.213 -3.581 -8.841 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.484 -4.490 -6.822 1.00 4.14 C ATOM 0 H THR A 50 -0.647 -2.804 -10.169 1.00 62.40 H new ATOM 0 HA THR A 50 -1.609 -2.074 -7.431 1.00 12.42 H new ATOM 0 HB THR A 50 -1.463 -4.825 -8.687 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.835 -4.333 -8.928 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.099 -5.384 -6.928 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.616 -4.719 -6.204 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.069 -3.701 -6.349 1.00 4.14 H new ATOM 886 N LYS A 51 1.236 -2.902 -8.472 1.00 63.11 N ATOM 887 CA LYS A 51 2.621 -3.123 -8.094 1.00 2.24 C ATOM 888 C LYS A 51 3.385 -1.801 -8.177 1.00 2.53 C ATOM 889 O LYS A 51 3.277 -1.079 -9.167 1.00 22.21 O ATOM 890 CB LYS A 51 3.234 -4.243 -8.937 1.00 62.34 C ATOM 891 CG LYS A 51 2.479 -5.559 -8.734 1.00 12.21 C ATOM 892 CD LYS A 51 3.421 -6.758 -8.869 1.00 14.34 C ATOM 893 CE LYS A 51 3.313 -7.385 -10.260 1.00 70.11 C ATOM 894 NZ LYS A 51 2.008 -8.064 -10.422 1.00 74.50 N ATOM 0 H LYS A 51 1.096 -2.646 -9.450 1.00 63.11 H new ATOM 0 HA LYS A 51 2.685 -3.463 -7.060 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.210 -3.965 -9.991 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.281 -4.375 -8.666 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.013 -5.567 -7.749 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.676 -5.639 -9.467 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.448 -6.441 -8.688 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.179 -7.503 -8.111 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.426 -6.614 -11.023 1.00 70.11 H new ATOM 0 HE3 LYS A 51 4.122 -8.100 -10.407 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.755 -8.094 -11.430 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 2.073 -9.034 -10.053 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.278 -7.542 -9.897 1.00 74.50 H new ATOM 907 N PHE A 52 4.141 -1.524 -7.125 1.00 55.52 N ATOM 908 CA PHE A 52 4.924 -0.301 -7.068 1.00 12.53 C ATOM 909 C PHE A 52 6.326 -0.573 -6.518 1.00 23.41 C ATOM 910 O PHE A 52 6.514 -1.479 -5.709 1.00 20.35 O ATOM 911 CB PHE A 52 4.194 0.654 -6.119 1.00 64.54 C ATOM 912 CG PHE A 52 2.760 0.977 -6.545 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.784 0.038 -6.416 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.462 2.203 -7.052 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.454 0.338 -6.811 1.00 5.33 C ATOM 916 CE2 PHE A 52 1.132 2.503 -7.447 1.00 50.35 C ATOM 917 CZ PHE A 52 0.155 1.565 -7.319 1.00 13.42 C ATOM 0 H PHE A 52 4.228 -2.125 -6.306 1.00 55.52 H new ATOM 0 HA PHE A 52 5.030 0.120 -8.068 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.176 0.215 -5.121 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.760 1.583 -6.049 1.00 64.54 H new ATOM 0 HD1 PHE A 52 2.021 -0.936 -6.013 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.237 2.948 -7.154 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.321 -0.407 -6.708 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.895 3.477 -7.850 1.00 50.35 H new ATOM 0 HZ PHE A 52 -0.857 1.794 -7.620 1.00 13.42 H new ATOM 927 N LEU A 53 7.274 0.230 -6.981 1.00 0.05 N ATOM 928 CA LEU A 53 8.653 0.088 -6.546 1.00 15.10 C ATOM 929 C LEU A 53 9.083 1.355 -5.804 1.00 53.33 C ATOM 930 O LEU A 53 9.346 2.383 -6.424 1.00 23.21 O ATOM 931 CB LEU A 53 9.554 -0.266 -7.731 1.00 22.22 C ATOM 932 CG LEU A 53 9.510 -1.722 -8.196 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.357 -1.922 -9.454 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.923 -2.671 -7.070 1.00 70.04 C ATOM 0 H LEU A 53 7.114 0.981 -7.653 1.00 0.05 H new ATOM 0 HA LEU A 53 8.747 -0.740 -5.844 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.281 0.371 -8.572 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.582 -0.021 -7.466 1.00 22.22 H new ATOM 0 HG LEU A 53 8.480 -1.965 -8.459 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.308 -2.966 -9.763 1.00 34.22 H new ATOM 0 HD12 LEU A 53 9.975 -1.288 -10.254 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.392 -1.654 -9.242 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.883 -3.700 -7.428 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.939 -2.437 -6.751 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.242 -2.553 -6.227 1.00 70.04 H new ATOM 946 N VAL A 54 9.139 1.238 -4.485 1.00 12.25 N ATOM 947 CA VAL A 54 9.532 2.361 -3.651 1.00 54.11 C ATOM 948 C VAL A 54 11.054 2.362 -3.488 1.00 53.14 C ATOM 949 O VAL A 54 11.669 1.304 -3.359 1.00 2.34 O ATOM 950 CB VAL A 54 8.787 2.307 -2.315 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.782 3.677 -1.634 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.363 1.783 -2.503 1.00 33.12 C ATOM 0 H VAL A 54 8.919 0.383 -3.974 1.00 12.25 H new ATOM 0 HA VAL A 54 9.255 3.303 -4.124 1.00 54.11 H new ATOM 0 HB VAL A 54 9.317 1.612 -1.664 1.00 50.23 H new ATOM 0 HG11 VAL A 54 8.246 3.611 -0.687 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.808 3.995 -1.449 1.00 52.41 H new ATOM 0 HG13 VAL A 54 8.288 4.403 -2.280 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.856 1.755 -1.539 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.819 2.442 -3.180 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.398 0.778 -2.925 1.00 33.12 H new ATOM 962 N PRO A 55 11.632 3.593 -3.499 1.00 45.33 N ATOM 963 CA PRO A 55 13.069 3.745 -3.353 1.00 0.21 C ATOM 964 C PRO A 55 13.501 3.517 -1.903 1.00 50.22 C ATOM 965 O PRO A 55 12.998 4.172 -0.991 1.00 54.10 O ATOM 966 CB PRO A 55 13.368 5.152 -3.848 1.00 72.21 C ATOM 967 CG PRO A 55 12.042 5.896 -3.813 1.00 64.33 C ATOM 968 CD PRO A 55 10.936 4.867 -3.648 1.00 22.13 C ATOM 0 HA PRO A 55 13.630 3.007 -3.926 1.00 0.21 H new ATOM 0 HB2 PRO A 55 14.107 5.641 -3.213 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.778 5.132 -4.858 1.00 72.21 H new ATOM 0 HG2 PRO A 55 12.026 6.609 -2.989 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.900 6.466 -4.731 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.319 5.085 -2.776 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.273 4.857 -4.513 1.00 22.13 H new ATOM 976 N ASP A 56 14.430 2.587 -1.736 1.00 15.23 N ATOM 977 CA ASP A 56 14.936 2.264 -0.412 1.00 24.22 C ATOM 978 C ASP A 56 15.906 3.357 0.039 1.00 33.22 C ATOM 979 O ASP A 56 17.065 3.077 0.341 1.00 24.04 O ATOM 980 CB ASP A 56 15.692 0.934 -0.421 1.00 14.44 C ATOM 981 CG ASP A 56 17.033 0.958 -1.157 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.942 0.169 -0.856 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.127 1.844 -2.090 1.00 53.21 O ATOM 0 H ASP A 56 14.846 2.047 -2.495 1.00 15.23 H new ATOM 0 HA ASP A 56 14.085 2.190 0.266 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.866 0.625 0.610 1.00 14.44 H new ATOM 0 HB3 ASP A 56 15.057 0.175 -0.878 1.00 14.44 H new ATOM 989 N HIS A 57 15.397 4.580 0.070 1.00 42.54 N ATOM 990 CA HIS A 57 16.204 5.717 0.479 1.00 33.12 C ATOM 991 C HIS A 57 15.293 6.897 0.821 1.00 34.15 C ATOM 992 O HIS A 57 15.687 8.054 0.673 1.00 74.42 O ATOM 993 CB HIS A 57 17.242 6.059 -0.592 1.00 42.14 C ATOM 994 CG HIS A 57 16.750 7.033 -1.636 1.00 61.13 C ATOM 995 ND1 HIS A 57 16.189 6.627 -2.834 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.739 8.397 -1.647 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.860 7.706 -3.528 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.202 8.802 -2.792 1.00 2.34 N ATOM 0 H HIS A 57 14.435 4.808 -0.182 1.00 42.54 H new ATOM 0 HA HIS A 57 16.765 5.465 1.379 1.00 33.12 H new ATOM 0 HB2 HIS A 57 18.125 6.477 -0.108 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.555 5.140 -1.087 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.105 9.038 -0.859 1.00 44.01 H new ATOM 0 HE1 HIS A 57 15.401 7.716 -4.506 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.067 9.773 -3.074 1.00 2.34 H new ATOM 1006 N VAL A 58 14.091 6.566 1.270 1.00 51.30 N ATOM 1007 CA VAL A 58 13.121 7.584 1.633 1.00 21.42 C ATOM 1008 C VAL A 58 12.253 7.067 2.783 1.00 52.34 C ATOM 1009 O VAL A 58 12.655 6.160 3.509 1.00 3.12 O ATOM 1010 CB VAL A 58 12.306 7.991 0.404 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.221 8.352 -0.766 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.319 6.889 0.010 1.00 52.14 C ATOM 0 H VAL A 58 13.767 5.606 1.391 1.00 51.30 H new ATOM 0 HA VAL A 58 13.624 8.484 1.985 1.00 21.42 H new ATOM 0 HB VAL A 58 11.730 8.879 0.664 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.616 8.637 -1.626 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.864 9.185 -0.482 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.837 7.491 -1.025 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.753 7.204 -0.866 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.867 5.976 -0.221 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.634 6.702 0.837 1.00 52.14 H new ATOM 1022 N ASN A 59 11.079 7.668 2.912 1.00 3.10 N ATOM 1023 CA ASN A 59 10.151 7.281 3.960 1.00 53.34 C ATOM 1024 C ASN A 59 8.852 6.780 3.325 1.00 32.55 C ATOM 1025 O ASN A 59 8.519 7.157 2.203 1.00 53.32 O ATOM 1026 CB ASN A 59 9.810 8.470 4.860 1.00 31.55 C ATOM 1027 CG ASN A 59 10.045 9.794 4.132 1.00 54.00 C ATOM 1028 OD1 ASN A 59 11.029 10.482 4.343 1.00 22.23 O ATOM 1029 ND2 ASN A 59 9.088 10.112 3.265 1.00 14.31 N ATOM 0 H ASN A 59 10.750 8.421 2.307 1.00 3.10 H new ATOM 0 HA ASN A 59 10.623 6.501 4.557 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.769 8.405 5.176 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.420 8.434 5.763 1.00 31.55 H new ATOM 0 HD21 ASN A 59 9.153 10.977 2.729 1.00 14.31 H new ATOM 0 HD22 ASN A 59 8.290 9.491 3.136 1.00 14.31 H new ATOM 1036 N MET A 60 8.153 5.938 4.073 1.00 53.42 N ATOM 1037 CA MET A 60 6.897 5.381 3.597 1.00 63.50 C ATOM 1038 C MET A 60 5.946 6.488 3.138 1.00 72.03 C ATOM 1039 O MET A 60 5.032 6.240 2.352 1.00 33.53 O ATOM 1040 CB MET A 60 6.239 4.575 4.718 1.00 54.13 C ATOM 1041 CG MET A 60 5.270 5.444 5.522 1.00 71.53 C ATOM 1042 SD MET A 60 3.668 5.460 4.734 1.00 50.24 S ATOM 1043 CE MET A 60 3.340 3.707 4.661 1.00 24.12 C ATOM 0 H MET A 60 8.432 5.628 5.004 1.00 53.42 H new ATOM 0 HA MET A 60 7.107 4.733 2.747 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.705 3.725 4.294 1.00 54.13 H new ATOM 0 HB3 MET A 60 7.006 4.172 5.379 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.181 5.060 6.538 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.657 6.460 5.598 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.283 3.526 4.856 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.596 3.330 3.671 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.941 3.193 5.411 1.00 24.12 H new ATOM 1053 N SER A 61 6.193 7.686 3.647 1.00 31.15 N ATOM 1054 CA SER A 61 5.370 8.831 3.298 1.00 60.52 C ATOM 1055 C SER A 61 5.461 9.103 1.795 1.00 5.42 C ATOM 1056 O SER A 61 4.481 9.515 1.175 1.00 42.35 O ATOM 1057 CB SER A 61 5.790 10.072 4.089 1.00 24.14 C ATOM 1058 OG SER A 61 4.701 10.968 4.295 1.00 33.42 O ATOM 0 H SER A 61 6.951 7.888 4.298 1.00 31.15 H new ATOM 0 HA SER A 61 4.336 8.601 3.556 1.00 60.52 H new ATOM 0 HB2 SER A 61 6.196 9.767 5.054 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.588 10.588 3.556 1.00 24.14 H new ATOM 0 HG SER A 61 5.009 11.746 4.805 1.00 33.42 H new ATOM 1064 N GLU A 62 6.645 8.862 1.253 1.00 43.34 N ATOM 1065 CA GLU A 62 6.877 9.075 -0.165 1.00 62.30 C ATOM 1066 C GLU A 62 5.866 8.281 -0.994 1.00 2.22 C ATOM 1067 O GLU A 62 5.219 8.829 -1.885 1.00 1.22 O ATOM 1068 CB GLU A 62 8.310 8.706 -0.549 1.00 23.32 C ATOM 1069 CG GLU A 62 9.218 9.938 -0.529 1.00 33.21 C ATOM 1070 CD GLU A 62 10.403 9.761 -1.479 1.00 21.13 C ATOM 1071 OE1 GLU A 62 11.437 10.427 -1.313 1.00 65.32 O ATOM 1072 OE2 GLU A 62 10.226 8.894 -2.418 1.00 22.24 O ATOM 0 H GLU A 62 7.455 8.521 1.771 1.00 43.34 H new ATOM 0 HA GLU A 62 6.741 10.135 -0.379 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.694 7.956 0.142 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.320 8.258 -1.543 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.646 10.820 -0.816 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.582 10.110 0.484 1.00 33.21 H new ATOM 1080 N LEU A 63 5.760 7.000 -0.670 1.00 75.35 N ATOM 1081 CA LEU A 63 4.839 6.123 -1.374 1.00 71.31 C ATOM 1082 C LEU A 63 3.438 6.737 -1.348 1.00 34.30 C ATOM 1083 O LEU A 63 2.689 6.625 -2.317 1.00 74.31 O ATOM 1084 CB LEU A 63 4.901 4.707 -0.797 1.00 53.52 C ATOM 1085 CG LEU A 63 3.654 3.844 -1.004 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.344 3.676 -2.491 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.797 2.497 -0.292 1.00 23.34 C ATOM 0 H LEU A 63 6.297 6.549 0.071 1.00 75.35 H new ATOM 0 HA LEU A 63 5.127 6.028 -2.421 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.753 4.192 -1.241 1.00 53.52 H new ATOM 0 HB3 LEU A 63 5.095 4.780 0.273 1.00 53.52 H new ATOM 0 HG LEU A 63 2.804 4.358 -0.555 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.453 3.059 -2.610 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.170 4.654 -2.939 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.187 3.195 -2.986 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.898 1.902 -0.454 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.661 1.965 -0.690 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.934 2.663 0.777 1.00 23.34 H new ATOM 1099 N ILE A 64 3.126 7.373 -0.228 1.00 23.04 N ATOM 1100 CA ILE A 64 1.827 8.005 -0.064 1.00 61.52 C ATOM 1101 C ILE A 64 1.675 9.124 -1.096 1.00 62.30 C ATOM 1102 O ILE A 64 0.572 9.390 -1.569 1.00 14.00 O ATOM 1103 CB ILE A 64 1.638 8.471 1.381 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.948 7.342 2.366 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.236 9.046 1.592 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.000 6.159 2.162 1.00 54.44 C ATOM 0 H ILE A 64 3.749 7.464 0.574 1.00 23.04 H new ATOM 0 HA ILE A 64 1.028 7.288 -0.251 1.00 61.52 H new ATOM 0 HB ILE A 64 2.349 9.274 1.577 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.979 7.013 2.235 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.859 7.712 3.388 1.00 50.20 H new ATOM 0 HG21 ILE A 64 0.128 9.370 2.627 1.00 30.13 H new ATOM 0 HG22 ILE A 64 0.088 9.898 0.928 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.508 8.281 1.371 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.243 5.371 2.875 1.00 54.44 H new ATOM 0 HD12 ILE A 64 -0.028 6.486 2.318 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.109 5.776 1.147 1.00 54.44 H new ATOM 1118 N LYS A 65 2.800 9.750 -1.414 1.00 65.21 N ATOM 1119 CA LYS A 65 2.805 10.834 -2.380 1.00 4.50 C ATOM 1120 C LYS A 65 2.763 10.250 -3.794 1.00 41.42 C ATOM 1121 O LYS A 65 2.077 10.779 -4.668 1.00 64.31 O ATOM 1122 CB LYS A 65 3.993 11.765 -2.135 1.00 50.41 C ATOM 1123 CG LYS A 65 3.927 12.381 -0.735 1.00 31.50 C ATOM 1124 CD LYS A 65 5.257 13.036 -0.361 1.00 14.42 C ATOM 1125 CE LYS A 65 5.812 13.859 -1.525 1.00 43.24 C ATOM 1126 NZ LYS A 65 4.805 14.838 -1.994 1.00 21.21 N ATOM 0 H LYS A 65 3.713 9.526 -1.019 1.00 65.21 H new ATOM 0 HA LYS A 65 1.916 11.453 -2.263 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.924 11.210 -2.249 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.000 12.556 -2.885 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.129 13.123 -0.697 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.680 11.610 -0.006 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.118 13.678 0.509 1.00 14.42 H new ATOM 0 HD3 LYS A 65 5.977 12.268 -0.078 1.00 14.42 H new ATOM 0 HE2 LYS A 65 6.716 14.380 -1.211 1.00 43.24 H new ATOM 0 HE3 LYS A 65 6.094 13.197 -2.344 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 4.457 14.555 -2.932 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 4.010 14.867 -1.324 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.240 15.781 -2.056 1.00 21.21 H new ATOM 1139 N ILE A 66 3.506 9.168 -3.975 1.00 54.04 N ATOM 1140 CA ILE A 66 3.563 8.508 -5.269 1.00 32.11 C ATOM 1141 C ILE A 66 2.187 7.925 -5.599 1.00 63.23 C ATOM 1142 O ILE A 66 1.813 7.830 -6.767 1.00 3.21 O ATOM 1143 CB ILE A 66 4.690 7.474 -5.293 1.00 32.41 C ATOM 1144 CG1 ILE A 66 6.018 8.101 -4.863 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.791 6.804 -6.665 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.598 8.976 -5.978 1.00 42.45 C ATOM 0 H ILE A 66 4.073 8.732 -3.248 1.00 54.04 H new ATOM 0 HA ILE A 66 3.803 9.226 -6.053 1.00 32.11 H new ATOM 0 HB ILE A 66 4.453 6.693 -4.570 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.867 8.701 -3.966 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.729 7.316 -4.605 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.600 6.074 -6.655 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.851 6.302 -6.895 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.994 7.559 -7.425 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.542 9.410 -5.647 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.770 8.367 -6.866 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.896 9.775 -6.216 1.00 42.45 H new ATOM 1158 N ILE A 67 1.472 7.549 -4.549 1.00 34.24 N ATOM 1159 CA ILE A 67 0.146 6.977 -4.713 1.00 32.34 C ATOM 1160 C ILE A 67 -0.832 8.079 -5.126 1.00 73.40 C ATOM 1161 O ILE A 67 -1.316 8.093 -6.257 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.274 6.225 -3.449 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.428 4.868 -3.359 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.796 6.089 -3.372 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.147 4.021 -4.602 1.00 74.11 C ATOM 0 H ILE A 67 1.786 7.629 -3.582 1.00 34.24 H new ATOM 0 HA ILE A 67 0.148 6.235 -5.511 1.00 32.34 H new ATOM 0 HB ILE A 67 0.041 6.809 -2.584 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.502 5.017 -3.251 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.089 4.338 -2.469 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.068 5.551 -2.464 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.249 7.080 -3.356 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.157 5.539 -4.241 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.658 3.062 -4.512 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.926 3.853 -4.693 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.509 4.543 -5.488 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.094 8.976 -4.188 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.005 10.079 -4.440 1.00 13.42 C ATOM 1179 C ARG A 68 -1.768 10.655 -5.837 1.00 51.22 C ATOM 1180 O ARG A 68 -2.713 11.052 -6.517 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.828 11.189 -3.402 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.453 11.847 -3.533 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.284 12.972 -2.509 1.00 24.23 C ATOM 1184 NE ARG A 68 -0.868 14.226 -3.036 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.120 15.319 -2.282 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -0.842 15.319 -0.962 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -1.644 16.385 -2.856 1.00 64.55 N ATOM 0 H ARG A 68 -0.691 8.962 -3.251 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.021 9.691 -4.370 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.608 11.939 -3.530 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.944 10.777 -2.400 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.327 11.099 -3.389 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.331 12.246 -4.540 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.771 12.699 -1.573 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.773 13.118 -2.288 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.094 14.268 -4.030 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.439 14.490 -0.526 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -1.035 16.148 -0.400 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -1.853 16.376 -3.854 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -1.840 17.218 -2.301 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.502 10.681 -6.224 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.128 11.201 -7.528 1.00 45.24 C ATOM 1202 C ARG A 69 -0.842 10.423 -8.635 1.00 0.14 C ATOM 1203 O ARG A 69 -1.396 11.015 -9.559 1.00 4.20 O ATOM 1204 CB ARG A 69 1.384 11.113 -7.745 1.00 70.32 C ATOM 1205 CG ARG A 69 2.092 12.344 -7.176 1.00 44.21 C ATOM 1206 CD ARG A 69 1.888 13.561 -8.083 1.00 0.22 C ATOM 1207 NE ARG A 69 2.494 13.311 -9.409 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.838 12.756 -10.450 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.545 12.388 -10.326 1.00 43.44 N ATOM 1210 NH2 ARG A 69 2.478 12.579 -11.591 1.00 11.44 N ATOM 0 H ARG A 69 0.279 10.350 -5.657 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.427 12.248 -7.564 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.772 10.213 -7.268 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.598 11.026 -8.810 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.708 12.560 -6.179 1.00 44.21 H new ATOM 0 HG3 ARG A 69 3.157 12.139 -7.070 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.824 13.768 -8.194 1.00 0.22 H new ATOM 0 HD3 ARG A 69 2.339 14.443 -7.629 1.00 0.22 H new ATOM 0 HE ARG A 69 3.470 13.575 -9.545 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.057 12.529 -9.441 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.056 11.969 -11.117 1.00 43.44 H new ATOM 0 HH21 ARG A 69 3.455 12.860 -11.677 1.00 11.44 H new ATOM 0 HH22 ARG A 69 1.996 12.161 -12.387 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.804 9.104 -8.504 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.441 8.237 -9.482 1.00 12.55 C ATOM 1225 C ARG A 70 -2.943 8.521 -9.546 1.00 23.22 C ATOM 1226 O ARG A 70 -3.493 8.733 -10.625 1.00 5.20 O ATOM 1227 CB ARG A 70 -1.222 6.763 -9.136 1.00 25.13 C ATOM 1228 CG ARG A 70 0.044 6.224 -9.808 1.00 50.40 C ATOM 1229 CD ARG A 70 1.299 6.816 -9.165 1.00 24.25 C ATOM 1230 NE ARG A 70 2.419 6.798 -10.132 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.604 7.726 -11.094 1.00 71.15 C ATOM 1232 NH1 ARG A 70 1.742 8.757 -11.225 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.640 7.613 -11.904 1.00 40.12 N ATOM 0 H ARG A 70 -0.343 8.615 -7.737 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.988 8.442 -10.452 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.142 6.648 -8.055 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -2.085 6.179 -9.456 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.068 5.137 -9.728 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.027 6.465 -10.871 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.104 7.838 -8.841 1.00 24.25 H new ATOM 0 HD3 ARG A 70 1.566 6.245 -8.276 1.00 24.25 H new ATOM 0 HE ARG A 70 3.094 6.036 -10.067 1.00 54.32 H new ATOM 0 HH11 ARG A 70 0.944 8.838 -10.594 1.00 51.00 H new ATOM 0 HH12 ARG A 70 1.888 9.455 -11.955 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.287 6.832 -11.798 1.00 40.12 H new ATOM 0 HH22 ARG A 70 3.793 8.307 -12.636 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.564 8.515 -8.375 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.992 8.770 -8.284 1.00 61.25 C ATOM 1248 C LEU A 71 -5.292 10.166 -8.834 1.00 45.53 C ATOM 1249 O LEU A 71 -6.440 10.479 -9.146 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.484 8.553 -6.852 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.357 7.130 -6.307 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.129 7.141 -4.794 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.570 6.282 -6.698 1.00 31.15 C ATOM 0 H LEU A 71 -3.105 8.338 -7.482 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.547 8.060 -8.897 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.931 9.223 -6.194 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.532 8.848 -6.801 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.481 6.667 -6.762 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.042 6.117 -4.432 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.212 7.685 -4.568 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.971 7.629 -4.303 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.454 5.275 -6.298 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.475 6.732 -6.291 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.646 6.234 -7.784 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.241 10.966 -8.936 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.380 12.321 -9.443 1.00 2.32 C ATOM 1267 C GLN A 72 -5.677 12.950 -8.931 1.00 41.52 C ATOM 1268 O GLN A 72 -6.437 13.529 -9.706 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.324 12.343 -10.971 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.382 11.415 -11.572 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.407 11.527 -13.097 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.574 12.594 -13.665 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.233 10.368 -13.727 1.00 53.14 N ATOM 0 H GLN A 72 -3.290 10.703 -8.677 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.543 12.914 -9.074 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.481 13.360 -11.330 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.333 12.036 -11.307 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.174 10.385 -11.283 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.363 11.667 -11.169 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.098 9.511 -13.190 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -5.234 10.337 -14.747 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.891 12.814 -7.631 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.084 13.361 -7.008 1.00 53.22 C ATOM 1284 C LEU A 73 -6.853 14.837 -6.683 1.00 1.12 C ATOM 1285 O LEU A 73 -5.792 15.384 -6.982 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.489 12.521 -5.795 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.283 11.010 -5.927 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.933 10.385 -4.575 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.502 10.345 -6.567 1.00 40.04 C ATOM 0 H LEU A 73 -5.258 12.333 -6.992 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.928 13.313 -7.696 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.924 12.871 -4.931 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.542 12.707 -5.584 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.436 10.837 -6.591 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.792 9.311 -4.696 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.014 10.831 -4.195 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.744 10.567 -3.869 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.330 9.272 -6.649 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.381 10.525 -5.949 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.665 10.763 -7.560 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.863 15.442 -6.076 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.783 16.846 -5.708 1.00 74.20 C ATOM 1303 C ASN A 74 -8.188 17.007 -4.241 1.00 51.40 C ATOM 1304 O ASN A 74 -8.423 16.021 -3.546 1.00 1.13 O ATOM 1305 CB ASN A 74 -8.733 17.694 -6.556 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.051 18.160 -7.843 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -8.007 17.460 -8.842 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -7.523 19.378 -7.765 1.00 1.30 N ATOM 0 H ASN A 74 -8.741 14.986 -5.830 1.00 35.22 H new ATOM 0 HA ASN A 74 -6.758 17.180 -5.873 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.623 17.114 -6.801 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.064 18.559 -5.982 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -7.046 19.780 -8.572 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -7.595 19.911 -6.898 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.255 18.260 -3.813 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.627 18.563 -2.442 1.00 24.42 C ATOM 1317 C ALA A 75 -10.016 17.989 -2.155 1.00 44.43 C ATOM 1318 O ALA A 75 -10.239 17.393 -1.103 1.00 11.42 O ATOM 1319 CB ALA A 75 -8.564 20.076 -2.218 1.00 14.40 C ATOM 0 H ALA A 75 -8.058 19.076 -4.392 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.929 18.100 -1.744 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -8.843 20.303 -1.189 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -7.550 20.430 -2.406 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -9.254 20.574 -2.900 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.912 18.188 -3.110 1.00 1.33 N ATOM 1326 CA ASN A 76 -12.273 17.697 -2.974 1.00 24.12 C ATOM 1327 C ASN A 76 -12.241 16.212 -2.608 1.00 74.34 C ATOM 1328 O ASN A 76 -13.028 15.755 -1.781 1.00 61.04 O ATOM 1329 CB ASN A 76 -13.045 17.844 -4.286 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.634 19.249 -4.422 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.210 19.801 -3.499 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -13.457 19.796 -5.622 1.00 33.55 N ATOM 0 H ASN A 76 -10.722 18.683 -3.982 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.766 18.282 -2.198 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.382 17.641 -5.127 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.845 17.105 -4.326 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -13.813 20.733 -5.813 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -12.965 19.279 -6.351 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.321 15.500 -3.241 1.00 5.11 N ATOM 1340 CA GLN A 77 -11.175 14.075 -2.992 1.00 23.14 C ATOM 1341 C GLN A 77 -10.153 13.833 -1.881 1.00 75.30 C ATOM 1342 O GLN A 77 -9.107 14.479 -1.842 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.781 13.332 -4.270 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.383 11.887 -3.965 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.605 11.052 -3.576 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -11.546 10.546 -2.347 1.00 32.13 O flip ATOM 1347 NE2 GLN A 77 -12.539 10.878 -4.342 1.00 2.12 N flip ATOM 0 H GLN A 77 -10.669 15.882 -3.926 1.00 5.11 H new ATOM 0 HA GLN A 77 -12.138 13.683 -2.665 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.614 13.343 -4.972 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.951 13.847 -4.753 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.900 11.447 -4.838 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.654 11.870 -3.155 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.520 11.296 -5.272 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -13.338 10.315 -4.052 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.491 12.899 -1.003 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.615 12.562 0.107 1.00 43.41 C ATOM 1358 C ALA A 78 -9.020 11.171 -0.122 1.00 61.31 C ATOM 1359 O ALA A 78 -9.750 10.212 -0.365 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.395 12.654 1.419 1.00 61.34 C ATOM 0 H ALA A 78 -11.359 12.365 -1.038 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.787 13.268 0.170 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.738 12.401 2.251 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.771 13.669 1.549 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.233 11.957 1.394 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.699 11.105 -0.035 1.00 75.54 N ATOM 1367 CA PHE A 79 -6.998 9.848 -0.230 1.00 50.43 C ATOM 1368 C PHE A 79 -6.270 9.423 1.047 1.00 43.02 C ATOM 1369 O PHE A 79 -5.607 10.237 1.687 1.00 63.34 O ATOM 1370 CB PHE A 79 -5.969 10.076 -1.338 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.684 9.262 -1.171 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.715 7.908 -1.297 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.510 9.892 -0.898 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.523 7.153 -1.143 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.318 9.136 -0.744 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.350 7.782 -0.869 1.00 20.55 C ATOM 0 H PHE A 79 -7.096 11.902 0.168 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.708 9.063 -0.490 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.422 9.827 -2.298 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.714 11.135 -1.371 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.647 7.407 -1.514 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.484 10.967 -0.798 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.548 6.078 -1.244 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.386 9.636 -0.528 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.444 7.207 -0.751 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.418 8.149 1.378 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.783 7.606 2.567 1.00 53.43 C ATOM 1388 C PHE A 80 -5.305 6.172 2.327 1.00 1.31 C ATOM 1389 O PHE A 80 -6.101 5.295 1.997 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.838 7.600 3.675 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.832 8.857 4.547 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.738 9.162 5.294 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.921 9.672 4.573 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.732 10.329 6.103 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.916 10.839 5.382 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.821 11.143 6.131 1.00 53.22 C ATOM 0 H PHE A 80 -6.968 7.477 0.844 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.916 8.210 2.834 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.824 7.488 3.223 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.678 6.729 4.310 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.873 8.516 5.272 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.790 9.431 3.978 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.862 10.570 6.696 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.781 11.485 5.403 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.817 12.030 6.747 1.00 53.22 H new ATOM 1406 N LEU A 81 -4.005 5.980 2.501 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.411 4.668 2.307 1.00 10.45 C ATOM 1408 C LEU A 81 -3.380 3.925 3.645 1.00 41.41 C ATOM 1409 O LEU A 81 -3.023 4.501 4.671 1.00 2.13 O ATOM 1410 CB LEU A 81 -2.040 4.793 1.641 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.787 3.872 0.446 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -0.364 4.044 -0.087 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -2.093 2.416 0.804 1.00 32.24 C ATOM 0 H LEU A 81 -3.347 6.710 2.774 1.00 13.24 H new ATOM 0 HA LEU A 81 -4.017 4.072 1.624 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.910 5.824 1.313 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.274 4.599 2.392 1.00 51.24 H new ATOM 0 HG LEU A 81 -2.467 4.157 -0.356 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -0.210 3.378 -0.936 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -0.217 5.076 -0.404 1.00 70.10 H new ATOM 0 HD13 LEU A 81 0.351 3.801 0.699 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -1.905 1.781 -0.062 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.454 2.102 1.629 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -3.138 2.326 1.100 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.756 2.657 3.590 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.776 1.829 4.784 1.00 2.41 C ATOM 1427 C LEU A 82 -2.764 0.691 4.627 1.00 23.30 C ATOM 1428 O LEU A 82 -3.011 -0.268 3.897 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.199 1.350 5.081 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.208 2.437 5.455 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.548 3.529 6.299 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.886 3.007 4.207 1.00 2.33 C ATOM 0 H LEU A 82 -4.050 2.182 2.737 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.472 2.409 5.655 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.573 0.821 4.205 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.155 0.627 5.896 1.00 22.52 H new ATOM 0 HG LEU A 82 -6.988 1.985 6.067 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.287 4.290 6.552 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.151 3.091 7.215 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.736 3.985 5.733 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.599 3.778 4.500 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -6.132 3.441 3.549 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.410 2.209 3.681 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.648 0.835 5.324 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.597 -0.168 5.272 1.00 54.23 C ATOM 1446 C VAL A 83 -1.041 -1.406 6.053 1.00 0.12 C ATOM 1447 O VAL A 83 -1.115 -1.376 7.281 1.00 11.13 O ATOM 1448 CB VAL A 83 0.717 0.423 5.785 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.647 -0.676 6.303 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.404 1.256 4.700 1.00 25.30 C ATOM 0 H VAL A 83 -1.447 1.632 5.929 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.417 -0.480 4.243 1.00 54.23 H new ATOM 0 HB VAL A 83 0.484 1.085 6.619 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.574 -0.229 6.662 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.161 -1.209 7.120 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.870 -1.374 5.496 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.336 1.665 5.091 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.618 0.625 3.838 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.748 2.072 4.398 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.325 -2.466 5.310 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.759 -3.712 5.918 1.00 22.42 C ATOM 1462 C ASN A 84 -3.171 -3.533 6.482 1.00 41.23 C ATOM 1463 O ASN A 84 -3.574 -4.253 7.394 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.837 -4.114 7.071 1.00 70.52 C ATOM 1465 CG ASN A 84 -0.118 -5.429 6.763 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.145 -5.275 6.371 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.671 -6.510 6.876 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.263 -2.487 4.292 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.736 -4.487 5.152 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.104 -3.327 7.247 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.418 -4.219 7.987 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.643 -6.556 7.182 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.162 -7.368 6.665 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.883 -2.570 5.916 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.240 -2.289 6.351 1.00 4.21 C ATOM 1476 C GLY A 85 -5.247 -1.310 7.526 1.00 61.15 C ATOM 1477 O GLY A 85 -6.292 -1.061 8.126 1.00 20.01 O ATOM 0 H GLY A 85 -3.545 -1.974 5.160 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.812 -1.872 5.522 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.732 -3.217 6.643 1.00 4.21 H new ATOM 1481 N HIS A 86 -4.069 -0.780 7.821 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.927 0.167 8.914 1.00 11.12 C ATOM 1483 C HIS A 86 -3.166 1.402 8.427 1.00 50.33 C ATOM 1484 O HIS A 86 -2.204 1.285 7.669 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.267 -0.497 10.125 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.864 -0.994 9.864 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.820 -0.150 9.531 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.346 -2.255 9.893 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.274 -0.882 9.367 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.056 -2.186 9.591 1.00 4.14 N ATOM 0 H HIS A 86 -3.204 -0.988 7.322 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.912 0.497 9.245 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -3.241 0.216 10.949 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.884 -1.335 10.448 1.00 31.02 H new ATOM 0 HD1 HIS A 86 -0.881 0.863 9.429 1.00 72.14 H new ATOM 0 HD2 HIS A 86 -1.893 -3.157 10.123 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.253 -0.511 9.103 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.584 -2.978 9.535 1.00 4.14 H new ATOM 1498 N SER A 87 -3.627 2.558 8.882 1.00 21.12 N ATOM 1499 CA SER A 87 -3.001 3.813 8.503 1.00 35.33 C ATOM 1500 C SER A 87 -1.521 3.801 8.891 1.00 12.03 C ATOM 1501 O SER A 87 -1.061 2.880 9.565 1.00 44.20 O ATOM 1502 CB SER A 87 -3.711 5.001 9.156 1.00 21.01 C ATOM 1503 OG SER A 87 -3.028 5.455 10.322 1.00 72.54 O ATOM 0 H SER A 87 -4.426 2.652 9.509 1.00 21.12 H new ATOM 0 HA SER A 87 -3.084 3.923 7.422 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.786 5.818 8.438 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.729 4.715 9.420 1.00 21.01 H new ATOM 0 HG SER A 87 -3.511 6.215 10.709 1.00 72.54 H new ATOM 1509 N MET A 88 -0.818 4.832 8.449 1.00 23.44 N ATOM 1510 CA MET A 88 0.600 4.951 8.742 1.00 70.11 C ATOM 1511 C MET A 88 0.895 6.235 9.521 1.00 34.21 C ATOM 1512 O MET A 88 2.034 6.696 9.557 1.00 30.24 O ATOM 1513 CB MET A 88 1.393 4.955 7.434 1.00 23.21 C ATOM 1514 CG MET A 88 0.664 5.756 6.352 1.00 12.04 C ATOM 1515 SD MET A 88 0.576 7.475 6.822 1.00 73.31 S ATOM 1516 CE MET A 88 -1.195 7.691 6.878 1.00 51.33 C ATOM 0 H MET A 88 -1.204 5.593 7.890 1.00 23.44 H new ATOM 0 HA MET A 88 0.897 4.100 9.356 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.381 5.383 7.605 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.544 3.931 7.093 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.186 5.657 5.400 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.340 5.358 6.208 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.451 8.690 6.525 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.673 6.947 6.241 1.00 51.33 H new ATOM 0 HE3 MET A 88 -1.544 7.568 7.903 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.154 6.775 10.125 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.023 7.996 10.901 1.00 62.21 C ATOM 1528 C VAL A 89 1.276 7.946 11.709 1.00 24.13 C ATOM 1529 O VAL A 89 1.471 7.042 12.520 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.263 8.197 11.775 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.470 7.007 12.713 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.173 9.505 12.562 1.00 72.21 C ATOM 0 H VAL A 89 -1.098 6.389 10.092 1.00 62.44 H new ATOM 0 HA VAL A 89 0.037 8.862 10.242 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.130 8.261 11.117 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.358 7.175 13.323 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.600 6.099 12.125 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.600 6.898 13.360 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.067 9.623 13.175 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.293 9.483 13.205 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.095 10.342 11.868 1.00 72.21 H new ATOM 1542 N SER A 90 2.129 8.927 11.459 1.00 43.15 N ATOM 1543 CA SER A 90 3.404 9.006 12.152 1.00 5.54 C ATOM 1544 C SER A 90 4.439 8.127 11.447 1.00 40.34 C ATOM 1545 O SER A 90 5.177 7.388 12.097 1.00 35.33 O ATOM 1546 CB SER A 90 3.260 8.587 13.616 1.00 14.32 C ATOM 1547 OG SER A 90 4.155 9.302 14.466 1.00 2.52 O ATOM 0 H SER A 90 1.963 9.675 10.786 1.00 43.15 H new ATOM 0 HA SER A 90 3.742 10.042 12.130 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.234 8.758 13.943 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.449 7.517 13.708 1.00 14.32 H new ATOM 0 HG SER A 90 4.032 9.008 15.393 1.00 2.52 H new ATOM 1553 N VAL A 91 4.458 8.233 10.127 1.00 73.43 N ATOM 1554 CA VAL A 91 5.390 7.456 9.327 1.00 23.12 C ATOM 1555 C VAL A 91 6.731 7.366 10.058 1.00 2.11 C ATOM 1556 O VAL A 91 7.044 6.341 10.662 1.00 34.04 O ATOM 1557 CB VAL A 91 5.513 8.065 7.929 1.00 41.51 C ATOM 1558 CG1 VAL A 91 5.349 9.586 7.976 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.840 7.676 7.275 1.00 15.53 C ATOM 0 H VAL A 91 3.843 8.845 9.591 1.00 73.43 H new ATOM 0 HA VAL A 91 5.022 6.439 9.194 1.00 23.12 H new ATOM 0 HB VAL A 91 4.707 7.660 7.316 1.00 41.51 H new ATOM 0 HG11 VAL A 91 5.441 9.993 6.969 1.00 4.23 H new ATOM 0 HG12 VAL A 91 4.367 9.834 8.379 1.00 4.23 H new ATOM 0 HG13 VAL A 91 6.122 10.016 8.613 1.00 4.23 H new ATOM 0 HG21 VAL A 91 6.901 8.122 6.282 1.00 15.53 H new ATOM 0 HG22 VAL A 91 7.667 8.037 7.887 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.899 6.591 7.189 1.00 15.53 H new ATOM 1569 N SER A 92 7.486 8.451 9.980 1.00 1.13 N ATOM 1570 CA SER A 92 8.786 8.507 10.628 1.00 51.40 C ATOM 1571 C SER A 92 9.491 7.154 10.503 1.00 74.42 C ATOM 1572 O SER A 92 10.272 6.774 11.374 1.00 22.05 O ATOM 1573 CB SER A 92 8.652 8.902 12.099 1.00 12.45 C ATOM 1574 OG SER A 92 7.498 9.705 12.334 1.00 11.51 O ATOM 0 H SER A 92 7.223 9.299 9.478 1.00 1.13 H new ATOM 0 HA SER A 92 9.384 9.269 10.129 1.00 51.40 H new ATOM 0 HB2 SER A 92 8.599 8.003 12.712 1.00 12.45 H new ATOM 0 HB3 SER A 92 9.543 9.448 12.410 1.00 12.45 H new ATOM 0 HG SER A 92 7.448 9.935 13.285 1.00 11.51 H new ATOM 1580 N THR A 93 9.190 6.465 9.413 1.00 61.14 N ATOM 1581 CA THR A 93 9.785 5.163 9.163 1.00 63.22 C ATOM 1582 C THR A 93 10.091 4.993 7.674 1.00 21.35 C ATOM 1583 O THR A 93 9.296 5.392 6.823 1.00 40.15 O ATOM 1584 CB THR A 93 8.835 4.096 9.713 1.00 14.31 C ATOM 1585 OG1 THR A 93 8.702 4.428 11.093 1.00 4.41 O ATOM 1586 CG2 THR A 93 9.466 2.702 9.725 1.00 72.01 C ATOM 0 H THR A 93 8.542 6.783 8.693 1.00 61.14 H new ATOM 0 HA THR A 93 10.743 5.062 9.673 1.00 63.22 H new ATOM 0 HB THR A 93 7.924 4.078 9.115 1.00 14.31 H new ATOM 0 HG1 THR A 93 7.999 5.103 11.201 1.00 4.41 H new ATOM 0 HG21 THR A 93 8.751 1.982 10.124 1.00 72.01 H new ATOM 0 HG22 THR A 93 9.739 2.417 8.709 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.358 2.712 10.351 1.00 72.01 H new ATOM 1594 N PRO A 94 11.275 4.386 7.396 1.00 14.14 N ATOM 1595 CA PRO A 94 11.697 4.159 6.024 1.00 74.20 C ATOM 1596 C PRO A 94 10.917 3.003 5.395 1.00 15.02 C ATOM 1597 O PRO A 94 10.696 1.978 6.038 1.00 45.33 O ATOM 1598 CB PRO A 94 13.191 3.892 6.110 1.00 44.34 C ATOM 1599 CG PRO A 94 13.464 3.520 7.558 1.00 22.42 C ATOM 1600 CD PRO A 94 12.242 3.902 8.377 1.00 54.04 C ATOM 0 HA PRO A 94 11.496 5.012 5.375 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.483 3.085 5.438 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.763 4.773 5.818 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.664 2.452 7.646 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.348 4.041 7.926 1.00 22.42 H new ATOM 0 HD2 PRO A 94 11.852 3.047 8.929 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.482 4.672 9.110 1.00 54.04 H new ATOM 1608 N ILE A 95 10.524 3.206 4.147 1.00 43.23 N ATOM 1609 CA ILE A 95 9.774 2.192 3.424 1.00 11.34 C ATOM 1610 C ILE A 95 10.542 0.870 3.466 1.00 4.52 C ATOM 1611 O ILE A 95 9.960 -0.196 3.268 1.00 11.01 O ATOM 1612 CB ILE A 95 9.454 2.672 2.007 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.357 1.814 1.373 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.716 2.716 1.144 1.00 74.51 C ATOM 1615 CD1 ILE A 95 7.092 2.638 1.124 1.00 23.35 C ATOM 0 H ILE A 95 10.710 4.057 3.617 1.00 43.23 H new ATOM 0 HA ILE A 95 8.810 2.017 3.902 1.00 11.34 H new ATOM 0 HB ILE A 95 9.072 3.691 2.070 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.715 1.397 0.432 1.00 71.40 H new ATOM 0 HG13 ILE A 95 8.125 0.973 2.026 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.460 3.060 0.142 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.438 3.401 1.590 1.00 74.51 H new ATOM 0 HG23 ILE A 95 11.151 1.718 1.084 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.328 2.005 0.673 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.723 3.033 2.070 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.322 3.464 0.451 1.00 23.35 H new ATOM 1627 N SER A 96 11.836 0.980 3.726 1.00 11.42 N ATOM 1628 CA SER A 96 12.689 -0.194 3.797 1.00 51.52 C ATOM 1629 C SER A 96 12.364 -1.001 5.056 1.00 41.31 C ATOM 1630 O SER A 96 12.375 -2.231 5.028 1.00 24.42 O ATOM 1631 CB SER A 96 14.168 0.199 3.785 1.00 73.11 C ATOM 1632 OG SER A 96 14.485 1.116 4.830 1.00 50.12 O ATOM 0 H SER A 96 12.315 1.865 3.890 1.00 11.42 H new ATOM 0 HA SER A 96 12.498 -0.810 2.919 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.782 -0.696 3.889 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.417 0.646 2.822 1.00 73.11 H new ATOM 0 HG SER A 96 15.438 1.341 4.790 1.00 50.12 H new ATOM 1638 N GLU A 97 12.082 -0.276 6.129 1.00 73.25 N ATOM 1639 CA GLU A 97 11.754 -0.910 7.394 1.00 22.40 C ATOM 1640 C GLU A 97 10.263 -1.246 7.449 1.00 74.43 C ATOM 1641 O GLU A 97 9.887 -2.359 7.813 1.00 53.53 O ATOM 1642 CB GLU A 97 12.160 -0.022 8.573 1.00 24.31 C ATOM 1643 CG GLU A 97 13.669 0.232 8.574 1.00 14.32 C ATOM 1644 CD GLU A 97 14.431 -0.995 9.077 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.060 -1.576 10.108 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.443 -1.341 8.357 1.00 21.14 O ATOM 0 H GLU A 97 12.074 0.744 6.148 1.00 73.25 H new ATOM 0 HA GLU A 97 12.318 -1.839 7.470 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.628 0.928 8.518 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.867 -0.498 9.509 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.000 0.482 7.566 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.897 1.090 9.206 1.00 14.32 H new ATOM 1654 N VAL A 98 9.453 -0.264 7.081 1.00 73.03 N ATOM 1655 CA VAL A 98 8.011 -0.442 7.084 1.00 14.31 C ATOM 1656 C VAL A 98 7.655 -1.696 6.283 1.00 14.23 C ATOM 1657 O VAL A 98 6.661 -2.360 6.573 1.00 62.31 O ATOM 1658 CB VAL A 98 7.327 0.820 6.554 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.907 0.513 6.075 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.323 1.927 7.611 1.00 53.40 C ATOM 0 H VAL A 98 9.768 0.658 6.779 1.00 73.03 H new ATOM 0 HA VAL A 98 7.646 -0.591 8.100 1.00 14.31 H new ATOM 0 HB VAL A 98 7.899 1.177 5.698 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.443 1.427 5.703 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.945 -0.226 5.275 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.320 0.120 6.905 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.831 2.813 7.209 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.786 1.584 8.495 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.349 2.174 7.883 1.00 53.40 H new ATOM 1670 N TYR A 99 8.486 -1.982 5.292 1.00 23.41 N ATOM 1671 CA TYR A 99 8.271 -3.144 4.447 1.00 72.23 C ATOM 1672 C TYR A 99 8.811 -4.413 5.112 1.00 41.42 C ATOM 1673 O TYR A 99 8.204 -5.478 5.009 1.00 44.51 O ATOM 1674 CB TYR A 99 9.058 -2.883 3.161 1.00 73.42 C ATOM 1675 CG TYR A 99 9.362 -4.144 2.350 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.467 -4.912 2.654 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.529 -4.514 1.313 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.753 -6.098 1.891 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.814 -5.701 0.549 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.912 -6.435 0.875 1.00 12.34 C ATOM 1681 OH TYR A 99 10.181 -7.555 0.154 1.00 34.03 O ATOM 0 H TYR A 99 9.310 -1.429 5.055 1.00 23.41 H new ATOM 0 HA TYR A 99 7.207 -3.292 4.263 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.495 -2.189 2.537 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.997 -2.392 3.415 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.118 -4.623 3.466 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.664 -3.913 1.075 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.615 -6.707 2.119 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.170 -6.002 -0.265 1.00 65.15 H new ATOM 0 HH TYR A 99 9.351 -8.054 0.003 1.00 34.03 H new ATOM 1691 N GLU A 100 9.944 -4.257 5.780 1.00 24.12 N ATOM 1692 CA GLU A 100 10.572 -5.375 6.461 1.00 10.14 C ATOM 1693 C GLU A 100 9.942 -5.578 7.840 1.00 24.24 C ATOM 1694 O GLU A 100 10.284 -6.523 8.550 1.00 64.34 O ATOM 1695 CB GLU A 100 12.084 -5.171 6.573 1.00 52.12 C ATOM 1696 CG GLU A 100 12.436 -4.373 7.832 1.00 41.55 C ATOM 1697 CD GLU A 100 13.806 -3.705 7.691 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.109 -3.128 6.636 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.568 -3.800 8.728 1.00 74.24 O ATOM 0 H GLU A 100 10.444 -3.372 5.864 1.00 24.12 H new ATOM 0 HA GLU A 100 10.404 -6.275 5.870 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.585 -6.139 6.599 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.451 -4.646 5.691 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.674 -3.614 8.011 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.437 -5.035 8.698 1.00 41.55 H new ATOM 1707 N SER A 101 9.032 -4.676 8.178 1.00 23.43 N ATOM 1708 CA SER A 101 8.351 -4.744 9.459 1.00 33.22 C ATOM 1709 C SER A 101 6.871 -5.074 9.250 1.00 63.15 C ATOM 1710 O SER A 101 6.090 -5.072 10.199 1.00 0.10 O ATOM 1711 CB SER A 101 8.498 -3.431 10.232 1.00 23.11 C ATOM 1712 OG SER A 101 9.740 -3.355 10.924 1.00 11.13 O ATOM 0 H SER A 101 8.751 -3.894 7.586 1.00 23.43 H new ATOM 0 HA SER A 101 8.813 -5.536 10.049 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.416 -2.592 9.541 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.679 -3.337 10.945 1.00 23.11 H new ATOM 0 HG SER A 101 9.796 -2.502 11.403 1.00 11.13 H new ATOM 1718 N GLU A 102 6.531 -5.348 7.999 1.00 74.03 N ATOM 1719 CA GLU A 102 5.160 -5.679 7.651 1.00 73.55 C ATOM 1720 C GLU A 102 5.127 -6.883 6.707 1.00 44.54 C ATOM 1721 O GLU A 102 4.349 -7.814 6.910 1.00 34.43 O ATOM 1722 CB GLU A 102 4.446 -4.476 7.031 1.00 0.30 C ATOM 1723 CG GLU A 102 4.388 -3.306 8.015 1.00 75.10 C ATOM 1724 CD GLU A 102 3.116 -3.365 8.864 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.727 -2.355 9.468 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.526 -4.512 8.882 1.00 73.01 O ATOM 0 H GLU A 102 7.182 -5.347 7.214 1.00 74.03 H new ATOM 0 HA GLU A 102 4.628 -5.944 8.565 1.00 73.55 H new ATOM 0 HB2 GLU A 102 4.966 -4.168 6.124 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.435 -4.760 6.738 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.264 -3.328 8.664 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.421 -2.364 7.468 1.00 75.10 H new ATOM 1734 N ARG A 103 5.981 -6.824 5.696 1.00 73.01 N ATOM 1735 CA ARG A 103 6.060 -7.898 4.720 1.00 11.32 C ATOM 1736 C ARG A 103 5.870 -9.253 5.405 1.00 10.30 C ATOM 1737 O ARG A 103 6.258 -9.429 6.559 1.00 22.34 O ATOM 1738 CB ARG A 103 7.407 -7.887 3.995 1.00 73.24 C ATOM 1739 CG ARG A 103 8.557 -8.141 4.971 1.00 1.11 C ATOM 1740 CD ARG A 103 8.917 -9.627 5.018 1.00 64.23 C ATOM 1741 NE ARG A 103 9.613 -9.939 6.287 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.064 -11.167 6.620 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.898 -12.210 5.779 1.00 40.42 N ATOM 1744 NH2 ARG A 103 10.672 -11.333 7.780 1.00 53.31 N ATOM 0 H ARG A 103 6.624 -6.050 5.531 1.00 73.01 H new ATOM 0 HA ARG A 103 5.266 -7.740 3.990 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.411 -8.650 3.216 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.550 -6.926 3.501 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.429 -7.561 4.670 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.276 -7.799 5.967 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.014 -10.231 4.931 1.00 64.23 H new ATOM 0 HD3 ARG A 103 9.555 -9.882 4.172 1.00 64.23 H new ATOM 0 HE ARG A 103 9.761 -9.179 6.951 1.00 73.51 H new ATOM 0 HH11 ARG A 103 9.429 -12.074 4.884 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.242 -13.134 6.039 1.00 40.42 H new ATOM 0 HH21 ARG A 103 10.795 -10.540 8.409 1.00 53.31 H new ATOM 0 HH22 ARG A 103 11.019 -12.254 8.047 1.00 53.31 H new ATOM 1757 N ASP A 104 5.271 -10.176 4.666 1.00 3.22 N ATOM 1758 CA ASP A 104 5.025 -11.509 5.187 1.00 24.23 C ATOM 1759 C ASP A 104 5.846 -12.524 4.390 1.00 52.11 C ATOM 1760 O ASP A 104 6.641 -12.147 3.530 1.00 14.33 O ATOM 1761 CB ASP A 104 3.549 -11.888 5.055 1.00 21.34 C ATOM 1762 CG ASP A 104 2.716 -11.698 6.325 1.00 33.24 C ATOM 1763 OD1 ASP A 104 3.077 -12.191 7.404 1.00 13.53 O ATOM 1764 OD2 ASP A 104 1.641 -11.002 6.173 1.00 12.42 O ATOM 0 H ASP A 104 4.949 -10.026 3.710 1.00 3.22 H new ATOM 0 HA ASP A 104 5.307 -11.516 6.240 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.107 -11.293 4.256 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.484 -12.932 4.748 1.00 21.34 H new ATOM 1770 N GLU A 105 5.626 -13.793 4.703 1.00 4.45 N ATOM 1771 CA GLU A 105 6.336 -14.865 4.026 1.00 23.41 C ATOM 1772 C GLU A 105 6.486 -14.545 2.538 1.00 43.50 C ATOM 1773 O GLU A 105 7.574 -14.674 1.978 1.00 71.12 O ATOM 1774 CB GLU A 105 5.629 -16.206 4.231 1.00 74.25 C ATOM 1775 CG GLU A 105 5.556 -16.566 5.716 1.00 61.33 C ATOM 1776 CD GLU A 105 5.136 -18.025 5.906 1.00 54.43 C ATOM 1777 OE1 GLU A 105 5.981 -18.929 5.820 1.00 41.24 O ATOM 1778 OE2 GLU A 105 3.883 -18.204 6.153 1.00 31.11 O ATOM 0 H GLU A 105 4.966 -14.103 5.416 1.00 4.45 H new ATOM 0 HA GLU A 105 7.332 -14.947 4.462 1.00 23.41 H new ATOM 0 HB2 GLU A 105 4.623 -16.158 3.815 1.00 74.25 H new ATOM 0 HB3 GLU A 105 6.161 -16.988 3.689 1.00 74.25 H new ATOM 0 HG2 GLU A 105 6.527 -16.400 6.182 1.00 61.33 H new ATOM 0 HG3 GLU A 105 4.845 -15.911 6.218 1.00 61.33 H new ATOM 1786 N ASP A 106 5.378 -14.134 1.939 1.00 14.21 N ATOM 1787 CA ASP A 106 5.373 -13.796 0.526 1.00 71.01 C ATOM 1788 C ASP A 106 6.533 -12.844 0.229 1.00 12.41 C ATOM 1789 O ASP A 106 7.290 -13.056 -0.717 1.00 41.35 O ATOM 1790 CB ASP A 106 4.071 -13.093 0.133 1.00 4.22 C ATOM 1791 CG ASP A 106 3.694 -11.896 1.008 1.00 72.31 C ATOM 1792 OD1 ASP A 106 3.526 -10.771 0.514 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.569 -12.157 2.265 1.00 55.23 O ATOM 0 H ASP A 106 4.478 -14.027 2.406 1.00 14.21 H new ATOM 0 HA ASP A 106 5.470 -14.721 -0.042 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.155 -12.757 -0.900 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.259 -13.819 0.167 1.00 4.22 H new ATOM 1799 N GLY A 107 6.636 -11.813 1.056 1.00 33.44 N ATOM 1800 CA GLY A 107 7.692 -10.827 0.894 1.00 23.13 C ATOM 1801 C GLY A 107 7.175 -9.586 0.164 1.00 31.21 C ATOM 1802 O GLY A 107 7.960 -8.743 -0.267 1.00 13.31 O ATOM 0 H GLY A 107 6.006 -11.639 1.839 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.082 -10.542 1.871 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.520 -11.264 0.335 1.00 23.13 H new ATOM 1806 N PHE A 108 5.857 -9.512 0.049 1.00 52.33 N ATOM 1807 CA PHE A 108 5.226 -8.388 -0.621 1.00 14.14 C ATOM 1808 C PHE A 108 4.395 -7.559 0.361 1.00 21.33 C ATOM 1809 O PHE A 108 3.641 -8.112 1.160 1.00 22.32 O ATOM 1810 CB PHE A 108 4.300 -8.968 -1.692 1.00 51.42 C ATOM 1811 CG PHE A 108 4.422 -8.286 -3.056 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.802 -6.983 -3.133 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.151 -8.983 -4.192 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.916 -6.350 -4.400 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.265 -8.351 -5.458 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.645 -7.048 -5.535 1.00 4.21 C ATOM 0 H PHE A 108 5.209 -10.213 0.409 1.00 52.33 H new ATOM 0 HA PHE A 108 5.987 -7.737 -1.050 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.516 -10.030 -1.808 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.269 -8.888 -1.348 1.00 51.42 H new ATOM 0 HD1 PHE A 108 5.017 -6.429 -2.231 1.00 14.11 H new ATOM 0 HD2 PHE A 108 3.849 -10.018 -4.131 1.00 32.51 H new ATOM 0 HE1 PHE A 108 5.218 -5.315 -4.461 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.050 -8.905 -6.360 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.732 -6.567 -6.498 1.00 4.21 H new ATOM 1826 N LEU A 109 4.562 -6.248 0.269 1.00 21.41 N ATOM 1827 CA LEU A 109 3.836 -5.339 1.139 1.00 35.21 C ATOM 1828 C LEU A 109 2.400 -5.190 0.633 1.00 20.13 C ATOM 1829 O LEU A 109 2.174 -5.035 -0.567 1.00 53.12 O ATOM 1830 CB LEU A 109 4.584 -4.010 1.268 1.00 71.00 C ATOM 1831 CG LEU A 109 5.389 -3.814 2.554 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.506 -3.255 3.673 1.00 10.31 C ATOM 1833 CD2 LEU A 109 6.085 -5.112 2.969 1.00 53.35 C ATOM 0 H LEU A 109 5.189 -5.794 -0.395 1.00 21.41 H new ATOM 0 HA LEU A 109 3.776 -5.745 2.149 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.263 -3.914 0.420 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.860 -3.199 1.190 1.00 71.00 H new ATOM 0 HG LEU A 109 6.169 -3.078 2.360 1.00 51.53 H new ATOM 0 HD11 LEU A 109 5.102 -3.125 4.576 1.00 10.31 H new ATOM 0 HD12 LEU A 109 4.096 -2.292 3.367 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.690 -3.949 3.874 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.650 -4.945 3.886 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.338 -5.887 3.140 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.764 -5.430 2.178 1.00 53.35 H new ATOM 1845 N TYR A 110 1.467 -5.244 1.571 1.00 30.44 N ATOM 1846 CA TYR A 110 0.059 -5.118 1.235 1.00 32.34 C ATOM 1847 C TYR A 110 -0.525 -3.820 1.797 1.00 41.52 C ATOM 1848 O TYR A 110 -0.500 -3.598 3.007 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.641 -6.307 1.895 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.136 -7.670 1.419 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.728 -8.285 0.334 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.914 -8.284 2.072 1.00 40.13 C ATOM 1853 CE1 TYR A 110 -0.253 -9.567 -0.115 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.390 -9.567 1.623 1.00 12.12 C ATOM 1855 CZ TYR A 110 0.783 -10.145 0.552 1.00 64.21 C ATOM 1856 OH TYR A 110 1.233 -11.357 0.127 1.00 75.44 O ATOM 0 H TYR A 110 1.658 -5.373 2.565 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.077 -5.101 0.154 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.509 -6.239 2.975 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.711 -6.239 1.700 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.548 -7.804 -0.178 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.379 -7.802 2.920 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -0.708 -10.059 -0.962 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.210 -10.059 2.125 1.00 12.12 H new ATOM 0 HH TYR A 110 2.064 -11.238 -0.378 1.00 75.44 H new ATOM 1866 N MET A 111 -1.037 -2.998 0.894 1.00 11.54 N ATOM 1867 CA MET A 111 -1.626 -1.729 1.285 1.00 54.55 C ATOM 1868 C MET A 111 -3.003 -1.543 0.644 1.00 15.42 C ATOM 1869 O MET A 111 -3.259 -2.054 -0.445 1.00 64.01 O ATOM 1870 CB MET A 111 -0.705 -0.585 0.857 1.00 60.14 C ATOM 1871 CG MET A 111 0.765 -0.981 1.003 1.00 4.13 C ATOM 1872 SD MET A 111 1.774 0.479 1.207 1.00 11.21 S ATOM 1873 CE MET A 111 3.380 -0.198 0.821 1.00 41.54 C ATOM 0 H MET A 111 -1.056 -3.186 -0.108 1.00 11.54 H new ATOM 0 HA MET A 111 -1.747 -1.724 2.368 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.912 -0.315 -0.179 1.00 60.14 H new ATOM 0 HB3 MET A 111 -0.910 0.298 1.463 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.889 -1.641 1.861 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.089 -1.537 0.124 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.145 0.333 1.388 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.402 -1.256 1.084 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.576 -0.085 -0.245 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.854 -0.810 1.348 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.198 -0.551 0.862 1.00 51.41 C ATOM 1885 C VAL A 112 -5.532 0.929 1.064 1.00 34.21 C ATOM 1886 O VAL A 112 -5.532 1.421 2.191 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.193 -1.487 1.550 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.598 -0.881 1.562 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.197 -2.866 0.887 1.00 14.04 C ATOM 0 H VAL A 112 -3.638 -0.388 2.251 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.264 -0.757 -0.206 1.00 51.41 H new ATOM 0 HB VAL A 112 -5.874 -1.613 2.584 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.286 -1.567 2.057 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.581 0.067 2.100 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.930 -0.711 0.538 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -6.913 -3.512 1.395 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.480 -2.765 -0.161 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.201 -3.305 0.954 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.808 1.597 -0.047 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.143 3.010 -0.006 1.00 64.13 C ATOM 1901 C TYR A 113 -7.654 3.218 -0.116 1.00 45.34 C ATOM 1902 O TYR A 113 -8.359 2.391 -0.691 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.464 3.639 -1.224 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.202 3.399 -2.542 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.365 4.090 -2.817 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.705 2.493 -3.456 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -8.061 3.864 -4.057 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.401 2.267 -4.697 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.544 2.965 -4.936 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.201 2.751 -6.108 1.00 43.21 O ATOM 0 H TYR A 113 -5.806 1.186 -0.980 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.814 3.456 0.933 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.372 4.713 -1.061 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.452 3.242 -1.309 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.753 4.800 -2.102 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.794 1.953 -3.241 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.973 4.396 -4.284 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.024 1.560 -5.421 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.571 3.597 -6.435 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.109 4.330 0.444 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.524 4.659 0.416 1.00 1.44 C ATOM 1922 C ALA A 114 -9.713 6.118 0.835 1.00 2.12 C ATOM 1923 O ALA A 114 -8.744 6.809 1.146 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.290 3.689 1.317 1.00 12.02 C ATOM 0 H ALA A 114 -7.522 5.015 0.920 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.924 4.552 -0.593 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.352 3.935 1.297 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.147 2.670 0.959 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.918 3.770 2.338 1.00 12.02 H new ATOM 1930 N SER A 115 -10.967 6.544 0.829 1.00 54.31 N ATOM 1931 CA SER A 115 -11.296 7.909 1.204 1.00 61.52 C ATOM 1932 C SER A 115 -11.504 8.000 2.718 1.00 53.55 C ATOM 1933 O SER A 115 -12.137 8.933 3.206 1.00 63.34 O ATOM 1934 CB SER A 115 -12.544 8.398 0.468 1.00 1.23 C ATOM 1935 OG SER A 115 -13.017 9.640 0.983 1.00 60.44 O ATOM 0 H SER A 115 -11.768 5.968 0.570 1.00 54.31 H new ATOM 0 HA SER A 115 -10.463 8.552 0.918 1.00 61.52 H new ATOM 0 HB2 SER A 115 -12.319 8.508 -0.593 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.331 7.648 0.551 1.00 1.23 H new ATOM 0 HG SER A 115 -12.813 9.696 1.940 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.957 7.017 3.418 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.075 6.974 4.866 1.00 53.23 C ATOM 1943 C GLN A 116 -9.851 6.288 5.477 1.00 50.42 C ATOM 1944 O GLN A 116 -9.397 5.260 4.978 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.366 6.272 5.291 1.00 2.11 C ATOM 1946 CG GLN A 116 -13.450 7.290 5.651 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.787 6.595 5.917 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -15.383 5.985 5.044 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -15.223 6.721 7.167 1.00 55.11 N ATOM 0 H GLN A 116 -10.431 6.244 3.010 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.118 7.998 5.238 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -12.718 5.630 4.483 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.169 5.627 6.147 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.147 7.853 6.534 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -13.564 8.008 4.839 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.674 7.246 7.848 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -16.106 6.293 7.445 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.352 6.885 6.549 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.190 6.345 7.235 1.00 34.21 C ATOM 1960 C GLU A 117 -8.534 6.021 8.689 1.00 42.32 C ATOM 1961 O GLU A 117 -7.717 5.454 9.413 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.007 7.311 7.153 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.079 7.146 8.359 1.00 44.23 C ATOM 1964 CD GLU A 117 -4.854 8.054 8.236 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -3.980 7.806 7.392 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.829 9.047 9.058 1.00 14.44 O ATOM 0 H GLU A 117 -9.731 7.738 6.960 1.00 13.30 H new ATOM 0 HA GLU A 117 -7.897 5.420 6.738 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.450 7.132 6.234 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.373 8.337 7.109 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -6.621 7.383 9.275 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -5.760 6.107 8.437 1.00 44.23 H new ATOM 1974 N THR A 118 -9.746 6.395 9.075 1.00 32.30 N ATOM 1975 CA THR A 118 -10.208 6.152 10.431 1.00 34.24 C ATOM 1976 C THR A 118 -11.303 5.083 10.437 1.00 33.31 C ATOM 1977 O THR A 118 -11.491 4.387 11.434 1.00 43.32 O ATOM 1978 CB THR A 118 -10.660 7.487 11.023 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.852 7.799 10.309 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.708 8.634 10.677 1.00 11.22 C ATOM 0 H THR A 118 -10.422 6.864 8.472 1.00 32.30 H new ATOM 0 HA THR A 118 -9.408 5.757 11.057 1.00 34.24 H new ATOM 0 HB THR A 118 -10.738 7.394 12.106 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.213 8.651 10.632 1.00 2.53 H new ATOM 0 HG21 THR A 118 -10.076 9.559 11.122 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.715 8.413 11.068 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.654 8.748 9.594 1.00 11.22 H new ATOM 2085 N ASP B 337 9.023 -4.703 -14.901 1.00 34.41 N ATOM 2086 CA ASP B 337 9.199 -3.695 -13.870 1.00 41.12 C ATOM 2087 C ASP B 337 7.836 -3.103 -13.503 1.00 44.23 C ATOM 2088 O ASP B 337 7.213 -2.421 -14.314 1.00 22.34 O ATOM 2089 CB ASP B 337 10.092 -2.553 -14.362 1.00 74.41 C ATOM 2090 CG ASP B 337 9.622 -1.875 -15.651 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.663 -2.469 -16.738 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.193 -0.666 -15.505 1.00 24.22 O ATOM 0 HA ASP B 337 9.665 -4.173 -13.008 1.00 41.12 H new ATOM 0 HB2 ASP B 337 10.159 -1.800 -13.577 1.00 74.41 H new ATOM 0 HB3 ASP B 337 11.099 -2.941 -14.519 1.00 74.41 H new ATOM 2098 N TRP B 338 7.413 -3.389 -12.280 1.00 31.21 N ATOM 2099 CA TRP B 338 6.136 -2.894 -11.796 1.00 33.50 C ATOM 2100 C TRP B 338 6.043 -1.406 -12.140 1.00 43.13 C ATOM 2101 O TRP B 338 5.340 -1.024 -13.075 1.00 24.04 O ATOM 2102 CB TRP B 338 5.972 -3.172 -10.300 1.00 13.13 C ATOM 2103 CG TRP B 338 6.321 -4.605 -9.892 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.441 -5.681 -10.680 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.593 -5.075 -8.554 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.769 -6.807 -9.952 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.865 -6.427 -8.618 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.608 -4.382 -7.332 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.171 -7.201 -7.493 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.917 -5.170 -6.216 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.193 -6.532 -6.265 1.00 22.23 C ATOM 0 H TRP B 338 7.932 -3.957 -11.610 1.00 31.21 H new ATOM 0 HA TRP B 338 5.312 -3.416 -12.282 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.604 -2.482 -9.741 1.00 13.13 H new ATOM 0 HB3 TRP B 338 4.941 -2.964 -10.013 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.299 -5.669 -11.751 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.914 -7.745 -10.324 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.398 -3.325 -7.259 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.379 -8.258 -7.569 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.943 -4.686 -5.251 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.424 -7.071 -5.358 1.00 22.23 H new ATOM 2122 N THR B 339 6.763 -0.606 -11.369 1.00 11.15 N ATOM 2123 CA THR B 339 6.771 0.831 -11.581 1.00 63.24 C ATOM 2124 C THR B 339 7.667 1.518 -10.547 1.00 75.25 C ATOM 2125 O THR B 339 7.473 1.350 -9.343 1.00 55.55 O ATOM 2126 CB THR B 339 5.322 1.321 -11.551 1.00 43.14 C ATOM 2127 OG1 THR B 339 5.258 2.279 -12.604 1.00 20.42 O ATOM 2128 CG2 THR B 339 5.003 2.130 -10.291 1.00 73.05 C ATOM 0 H THR B 339 7.346 -0.926 -10.595 1.00 11.15 H new ATOM 0 HA THR B 339 7.195 1.085 -12.552 1.00 63.24 H new ATOM 0 HB THR B 339 4.648 0.466 -11.614 1.00 43.14 H new ATOM 0 HG1 THR B 339 5.244 1.816 -13.467 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.963 2.454 -10.320 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.166 1.510 -9.410 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.653 3.003 -10.245 1.00 73.05 H new ATOM 2136 N HIS B 340 8.626 2.277 -11.054 1.00 23.10 N ATOM 2137 CA HIS B 340 9.552 2.990 -10.190 1.00 53.35 C ATOM 2138 C HIS B 340 8.883 4.258 -9.657 1.00 55.35 C ATOM 2139 O HIS B 340 8.511 5.140 -10.430 1.00 75.31 O ATOM 2140 CB HIS B 340 10.867 3.275 -10.920 1.00 52.13 C ATOM 2141 CG HIS B 340 10.702 3.560 -12.393 1.00 4.34 C ATOM 2142 ND1 HIS B 340 10.879 2.593 -13.368 1.00 2.03 N ATOM 2143 CD2 HIS B 340 10.374 4.711 -13.047 1.00 35.32 C ATOM 2144 CE1 HIS B 340 10.666 3.150 -14.552 1.00 52.42 C ATOM 2145 NE2 HIS B 340 10.354 4.462 -14.351 1.00 32.50 N ATOM 0 H HIS B 340 8.783 2.414 -12.053 1.00 23.10 H new ATOM 0 HA HIS B 340 9.808 2.368 -9.332 1.00 53.35 H new ATOM 0 HB2 HIS B 340 11.355 4.127 -10.448 1.00 52.13 H new ATOM 0 HB3 HIS B 340 11.531 2.419 -10.798 1.00 52.13 H new ATOM 0 HD2 HIS B 340 10.166 5.664 -12.583 1.00 35.32 H new ATOM 0 HE1 HIS B 340 10.729 2.652 -15.508 1.00 52.42 H new ATOM 0 HE2 HIS B 340 10.140 5.140 -15.082 1.00 32.50 H new ATOM 2153 N LEU B 341 8.751 4.311 -8.340 1.00 42.45 N ATOM 2154 CA LEU B 341 8.134 5.457 -7.694 1.00 42.21 C ATOM 2155 C LEU B 341 9.167 6.577 -7.557 1.00 60.12 C ATOM 2156 O LEU B 341 10.166 6.422 -6.855 1.00 1.40 O ATOM 2157 CB LEU B 341 7.494 5.044 -6.368 1.00 45.14 C ATOM 2158 CG LEU B 341 6.603 3.801 -6.411 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.545 3.846 -5.307 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.977 3.622 -7.797 1.00 55.44 C ATOM 0 H LEU B 341 9.061 3.578 -7.702 1.00 42.45 H new ATOM 0 HA LEU B 341 7.320 5.847 -8.306 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.289 4.872 -5.642 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.900 5.880 -5.998 1.00 45.14 H new ATOM 0 HG LEU B 341 7.227 2.927 -6.224 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.925 2.951 -5.360 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.035 3.891 -4.335 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.919 4.729 -5.438 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.349 2.731 -7.800 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.370 4.495 -8.038 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.766 3.512 -8.541 1.00 55.44 H new ATOM 2172 N SER B 342 8.891 7.680 -8.237 1.00 53.43 N ATOM 2173 CA SER B 342 9.784 8.826 -8.200 1.00 62.22 C ATOM 2174 C SER B 342 9.148 9.959 -7.393 1.00 15.10 C ATOM 2175 O SER B 342 8.014 10.355 -7.660 1.00 21.54 O ATOM 2176 CB SER B 342 10.125 9.305 -9.612 1.00 33.03 C ATOM 2177 OG SER B 342 9.995 8.263 -10.575 1.00 21.10 O ATOM 0 H SER B 342 8.061 7.805 -8.817 1.00 53.43 H new ATOM 0 HA SER B 342 10.712 8.521 -7.716 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.469 10.132 -9.882 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.145 9.689 -9.628 1.00 33.03 H new ATOM 0 HG SER B 342 10.220 8.609 -11.464 1.00 21.10 H new ATOM 2183 N SER B 343 9.905 10.450 -6.422 1.00 0.25 N ATOM 2184 CA SER B 343 9.429 11.530 -5.575 1.00 53.03 C ATOM 2185 C SER B 343 9.771 12.881 -6.208 1.00 5.52 C ATOM 2186 O SER B 343 9.683 13.918 -5.552 1.00 30.55 O ATOM 2187 CB SER B 343 10.028 11.434 -4.171 1.00 24.32 C ATOM 2188 OG SER B 343 10.707 12.630 -3.798 1.00 14.53 O ATOM 0 H SER B 343 10.845 10.119 -6.203 1.00 0.25 H new ATOM 0 HA SER B 343 8.346 11.442 -5.485 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.235 11.228 -3.452 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.722 10.595 -4.130 1.00 24.32 H new ATOM 0 HG SER B 343 10.146 13.405 -4.012 1.00 14.53 H new ATOM 2194 N LYS B 344 10.156 12.825 -7.475 1.00 41.31 N ATOM 2195 CA LYS B 344 10.512 14.030 -8.202 1.00 25.42 C ATOM 2196 C LYS B 344 9.374 14.401 -9.155 1.00 71.41 C ATOM 2197 O LYS B 344 9.242 15.559 -9.551 1.00 5.30 O ATOM 2198 CB LYS B 344 11.864 13.856 -8.898 1.00 31.02 C ATOM 2199 CG LYS B 344 12.020 12.437 -9.446 1.00 5.42 C ATOM 2200 CD LYS B 344 12.669 11.517 -8.410 1.00 64.43 C ATOM 2201 CE LYS B 344 14.043 12.045 -7.994 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.930 10.927 -7.600 1.00 22.20 N ATOM 0 H LYS B 344 10.229 11.963 -8.016 1.00 41.31 H new ATOM 0 HA LYS B 344 10.638 14.866 -7.514 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.953 14.576 -9.712 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.669 14.069 -8.195 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.043 12.042 -9.727 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.628 12.458 -10.351 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.025 11.438 -7.534 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.771 10.513 -8.822 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.491 12.599 -8.819 1.00 14.43 H new ATOM 0 HE3 LYS B 344 13.935 12.742 -7.163 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 15.859 11.303 -7.320 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.508 10.415 -6.799 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.047 10.277 -8.403 1.00 22.20 H new ATOM 2215 N GLU B 345 8.579 13.397 -9.495 1.00 53.15 N ATOM 2216 CA GLU B 345 7.455 13.603 -10.394 1.00 4.44 C ATOM 2217 C GLU B 345 6.180 13.873 -9.596 1.00 23.22 C ATOM 2218 O GLU B 345 5.114 14.084 -10.174 1.00 21.12 O ATOM 2219 CB GLU B 345 7.275 12.405 -11.329 1.00 53.02 C ATOM 2220 CG GLU B 345 8.594 12.039 -12.012 1.00 14.22 C ATOM 2221 CD GLU B 345 8.793 12.851 -13.293 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.316 12.325 -14.286 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.379 14.072 -13.234 1.00 24.43 O ATOM 0 H GLU B 345 8.691 12.439 -9.164 1.00 53.15 H new ATOM 0 HA GLU B 345 7.664 14.476 -11.012 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.905 11.550 -10.763 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.523 12.638 -12.083 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.424 12.221 -11.329 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.603 10.975 -12.247 1.00 14.22 H new ATOM 2231 N VAL B 346 6.328 13.857 -8.279 1.00 4.42 N ATOM 2232 CA VAL B 346 5.201 14.097 -7.395 1.00 33.24 C ATOM 2233 C VAL B 346 4.894 15.596 -7.363 1.00 64.22 C ATOM 2234 O VAL B 346 5.555 16.383 -8.038 1.00 4.44 O ATOM 2235 CB VAL B 346 5.489 13.516 -6.009 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.012 12.083 -6.114 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.468 14.403 -5.236 1.00 13.23 C ATOM 0 H VAL B 346 7.213 13.681 -7.803 1.00 4.42 H new ATOM 0 HA VAL B 346 4.310 13.590 -7.766 1.00 33.24 H new ATOM 0 HB VAL B 346 4.551 13.490 -5.454 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.209 11.693 -5.115 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.266 11.459 -6.607 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.934 12.074 -6.695 1.00 34.11 H new ATOM 0 HG21 VAL B 346 6.656 13.968 -4.254 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.406 14.475 -5.787 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.040 15.398 -5.116 1.00 13.23 H new ATOM 2247 N ASP B 347 3.890 15.946 -6.571 1.00 64.45 N ATOM 2248 CA ASP B 347 3.488 17.336 -6.442 1.00 13.23 C ATOM 2249 C ASP B 347 4.655 18.150 -5.878 1.00 41.10 C ATOM 2250 O ASP B 347 5.000 19.201 -6.416 1.00 60.02 O ATOM 2251 CB ASP B 347 2.305 17.480 -5.484 1.00 11.14 C ATOM 2252 CG ASP B 347 1.410 18.695 -5.738 1.00 55.41 C ATOM 2253 OD1 ASP B 347 1.504 19.714 -5.040 1.00 44.22 O ATOM 2254 OD2 ASP B 347 0.577 18.562 -6.715 1.00 54.24 O ATOM 0 H ASP B 347 3.343 15.290 -6.013 1.00 64.45 H new ATOM 0 HA ASP B 347 3.199 17.696 -7.429 1.00 13.23 H new ATOM 0 HB2 ASP B 347 1.695 16.579 -5.546 1.00 11.14 H new ATOM 0 HB3 ASP B 347 2.687 17.536 -4.465 1.00 11.14 H new