USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot 180:sc= 0.0213 USER MOD Set 1.2: A 121 SER OG : rot 72:sc= 0.0241 USER MOD Set 2.1: A 72 THR OG1 : rot 103:sc= 1.55 USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 1.14 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.501 K(o=0.073,f=-7.3!) USER MOD Set 3.2: A 54 HIS : no HE2:sc= 0.574 K(o=0.073,f=-4.9!) USER MOD Set 4.1: A 30 TYR OH : rot 180:sc= -0.102 USER MOD Set 4.2: A 68 GLN : amide:sc= 0.541 K(o=0.44,f=-2) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.49) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 76 GLN : amide:sc= -0.0141 K(o=-0.014,f=-0.94) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -31:sc= 0.411 USER MOD Single : A 86 THR OG1 : rot 65:sc= 1.22 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -111:sc= 1.11 USER MOD Single : A 96 THR OG1 : rot 3:sc= 0.791 USER MOD Single : A 99 MET CE :methyl 171:sc= -0.152 (180deg=-0.176) USER MOD Single : A 104 THR OG1 : rot 61:sc= 1.24 USER MOD Single : A 108 SER OG : rot 38:sc= 1.27 USER MOD Single : A 122 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.4) USER MOD Single : A 130 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0.0048) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.00079) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.14 F(o=-2.4!,f=-0.14) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 144 MET CE :methyl -156:sc= 0 (180deg=-0.768) USER MOD Single : A 146 TYR OH : rot -110:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.212 5.987 -3.288 1.00 3.02 N ATOM 240 CA ALA A 18 -6.619 5.060 -4.216 1.00 72.01 C ATOM 241 C ALA A 18 -6.308 5.833 -5.472 1.00 73.12 C ATOM 242 O ALA A 18 -7.215 6.479 -6.047 1.00 62.14 O ATOM 243 CB ALA A 18 -7.566 3.908 -4.524 1.00 65.22 C ATOM 0 HA ALA A 18 -5.716 4.623 -3.789 1.00 72.01 H new ATOM 0 HB1 ALA A 18 -7.091 3.224 -5.227 1.00 65.22 H new ATOM 0 HB2 ALA A 18 -7.802 3.375 -3.603 1.00 65.22 H new ATOM 0 HB3 ALA A 18 -8.484 4.299 -4.962 1.00 65.22 H new ATOM 249 N GLY A 19 -5.075 5.816 -5.894 1.00 24.11 N ATOM 250 CA GLY A 19 -4.721 6.545 -7.059 1.00 11.44 C ATOM 251 C GLY A 19 -3.754 5.840 -7.960 1.00 11.24 C ATOM 252 O GLY A 19 -4.089 4.806 -8.556 1.00 5.03 O ATOM 0 H GLY A 19 -4.311 5.308 -5.448 1.00 24.11 H new ATOM 0 HA2 GLY A 19 -5.627 6.768 -7.622 1.00 11.44 H new ATOM 0 HA3 GLY A 19 -4.289 7.500 -6.758 1.00 11.44 H new ATOM 256 N ASP A 20 -2.537 6.347 -8.008 1.00 3.13 N ATOM 257 CA ASP A 20 -1.576 5.917 -9.008 1.00 52.10 C ATOM 258 C ASP A 20 -0.786 4.714 -8.569 1.00 12.01 C ATOM 259 O ASP A 20 -0.123 4.727 -7.529 1.00 70.05 O ATOM 260 CB ASP A 20 -0.656 7.076 -9.413 1.00 45.30 C ATOM 261 CG ASP A 20 0.378 6.713 -10.472 1.00 1.15 C ATOM 262 OD1 ASP A 20 0.009 6.229 -11.562 1.00 32.13 O ATOM 263 OD2 ASP A 20 1.585 6.935 -10.243 1.00 2.44 O ATOM 0 H ASP A 20 -2.189 7.059 -7.365 1.00 3.13 H new ATOM 0 HA ASP A 20 -2.143 5.608 -9.886 1.00 52.10 H new ATOM 0 HB2 ASP A 20 -1.268 7.898 -9.786 1.00 45.30 H new ATOM 0 HB3 ASP A 20 -0.138 7.441 -8.526 1.00 45.30 H new ATOM 268 N ASP A 21 -0.894 3.674 -9.361 1.00 50.22 N ATOM 269 CA ASP A 21 -0.192 2.418 -9.159 1.00 31.02 C ATOM 270 C ASP A 21 1.320 2.628 -9.174 1.00 71.21 C ATOM 271 O ASP A 21 1.888 3.150 -10.134 1.00 12.31 O ATOM 272 CB ASP A 21 -0.622 1.383 -10.228 1.00 0.14 C ATOM 273 CG ASP A 21 -0.497 1.903 -11.656 1.00 32.23 C ATOM 274 OD1 ASP A 21 -1.384 2.659 -12.101 1.00 32.41 O ATOM 275 OD2 ASP A 21 0.491 1.598 -12.345 1.00 54.14 O ATOM 0 H ASP A 21 -1.489 3.673 -10.190 1.00 50.22 H new ATOM 0 HA ASP A 21 -0.461 2.028 -8.177 1.00 31.02 H new ATOM 0 HB2 ASP A 21 -0.012 0.486 -10.121 1.00 0.14 H new ATOM 0 HB3 ASP A 21 -1.656 1.090 -10.045 1.00 0.14 H new ATOM 280 N VAL A 22 1.954 2.279 -8.077 1.00 21.12 N ATOM 281 CA VAL A 22 3.397 2.423 -7.946 1.00 23.00 C ATOM 282 C VAL A 22 4.118 1.178 -8.443 1.00 50.24 C ATOM 283 O VAL A 22 5.151 1.274 -9.104 1.00 33.53 O ATOM 284 CB VAL A 22 3.818 2.761 -6.490 1.00 10.40 C ATOM 285 CG1 VAL A 22 5.333 2.907 -6.364 1.00 73.32 C ATOM 286 CG2 VAL A 22 3.130 4.040 -6.037 1.00 60.02 C ATOM 0 H VAL A 22 1.494 1.890 -7.254 1.00 21.12 H new ATOM 0 HA VAL A 22 3.693 3.264 -8.573 1.00 23.00 H new ATOM 0 HB VAL A 22 3.509 1.935 -5.849 1.00 10.40 H new ATOM 0 HG11 VAL A 22 5.591 3.143 -5.332 1.00 73.32 H new ATOM 0 HG12 VAL A 22 5.814 1.973 -6.653 1.00 73.32 H new ATOM 0 HG13 VAL A 22 5.677 3.709 -7.017 1.00 73.32 H new ATOM 0 HG21 VAL A 22 3.429 4.272 -5.015 1.00 60.02 H new ATOM 0 HG22 VAL A 22 3.418 4.860 -6.694 1.00 60.02 H new ATOM 0 HG23 VAL A 22 2.049 3.905 -6.077 1.00 60.02 H new ATOM 296 N LEU A 23 3.578 0.015 -8.140 1.00 53.25 N ATOM 297 CA LEU A 23 4.172 -1.206 -8.632 1.00 73.32 C ATOM 298 C LEU A 23 3.902 -1.382 -10.111 1.00 10.34 C ATOM 299 O LEU A 23 2.967 -0.788 -10.654 1.00 4.00 O ATOM 300 CB LEU A 23 3.770 -2.462 -7.802 1.00 51.32 C ATOM 301 CG LEU A 23 2.278 -2.682 -7.410 1.00 4.40 C ATOM 302 CD1 LEU A 23 1.339 -2.714 -8.612 1.00 3.45 C ATOM 303 CD2 LEU A 23 2.153 -3.985 -6.646 1.00 12.24 C ATOM 0 H LEU A 23 2.744 -0.108 -7.566 1.00 53.25 H new ATOM 0 HA LEU A 23 5.250 -1.108 -8.500 1.00 73.32 H new ATOM 0 HB2 LEU A 23 4.093 -3.340 -8.362 1.00 51.32 H new ATOM 0 HB3 LEU A 23 4.350 -2.442 -6.879 1.00 51.32 H new ATOM 0 HG LEU A 23 1.980 -1.833 -6.795 1.00 4.40 H new ATOM 0 HD11 LEU A 23 0.316 -2.870 -8.270 1.00 3.45 H new ATOM 0 HD12 LEU A 23 1.402 -1.767 -9.148 1.00 3.45 H new ATOM 0 HD13 LEU A 23 1.627 -3.528 -9.278 1.00 3.45 H new ATOM 0 HD21 LEU A 23 1.111 -4.145 -6.368 1.00 12.24 H new ATOM 0 HD22 LEU A 23 2.492 -4.809 -7.274 1.00 12.24 H new ATOM 0 HD23 LEU A 23 2.765 -3.939 -5.746 1.00 12.24 H new ATOM 315 N ASP A 24 4.722 -2.147 -10.759 1.00 51.45 N ATOM 316 CA ASP A 24 4.540 -2.428 -12.167 1.00 24.10 C ATOM 317 C ASP A 24 3.402 -3.447 -12.313 1.00 62.44 C ATOM 318 O ASP A 24 3.276 -4.326 -11.480 1.00 24.25 O ATOM 319 CB ASP A 24 5.847 -2.974 -12.750 1.00 73.44 C ATOM 320 CG ASP A 24 5.757 -3.324 -14.213 1.00 22.40 C ATOM 321 OD1 ASP A 24 5.399 -4.476 -14.535 1.00 42.12 O ATOM 322 OD2 ASP A 24 6.082 -2.462 -15.070 1.00 22.23 O ATOM 0 H ASP A 24 5.535 -2.597 -10.339 1.00 51.45 H new ATOM 0 HA ASP A 24 4.279 -1.521 -12.713 1.00 24.10 H new ATOM 0 HB2 ASP A 24 6.634 -2.233 -12.610 1.00 73.44 H new ATOM 0 HB3 ASP A 24 6.141 -3.862 -12.190 1.00 73.44 H new ATOM 327 N PRO A 25 2.533 -3.322 -13.340 1.00 0.34 N ATOM 328 CA PRO A 25 1.391 -4.243 -13.551 1.00 21.40 C ATOM 329 C PRO A 25 1.759 -5.742 -13.585 1.00 21.43 C ATOM 330 O PRO A 25 0.892 -6.601 -13.366 1.00 65.24 O ATOM 331 CB PRO A 25 0.838 -3.812 -14.908 1.00 14.13 C ATOM 332 CG PRO A 25 1.199 -2.377 -15.012 1.00 21.11 C ATOM 333 CD PRO A 25 2.544 -2.248 -14.359 1.00 53.01 C ATOM 0 HA PRO A 25 0.690 -4.170 -12.719 1.00 21.40 H new ATOM 0 HB2 PRO A 25 1.277 -4.393 -15.719 1.00 14.13 H new ATOM 0 HB3 PRO A 25 -0.241 -3.956 -14.962 1.00 14.13 H new ATOM 0 HG2 PRO A 25 1.237 -2.057 -16.053 1.00 21.11 H new ATOM 0 HG3 PRO A 25 0.460 -1.750 -14.513 1.00 21.11 H new ATOM 0 HD2 PRO A 25 3.354 -2.382 -15.076 1.00 53.01 H new ATOM 0 HD3 PRO A 25 2.679 -1.266 -13.906 1.00 53.01 H new ATOM 341 N ASP A 26 3.018 -6.066 -13.869 1.00 13.30 N ATOM 342 CA ASP A 26 3.440 -7.476 -13.915 1.00 72.44 C ATOM 343 C ASP A 26 3.682 -8.017 -12.506 1.00 52.03 C ATOM 344 O ASP A 26 3.768 -9.227 -12.298 1.00 73.31 O ATOM 345 CB ASP A 26 4.692 -7.663 -14.801 1.00 21.21 C ATOM 346 CG ASP A 26 5.126 -9.118 -14.956 1.00 73.34 C ATOM 347 OD1 ASP A 26 4.425 -9.887 -15.662 1.00 71.41 O ATOM 348 OD2 ASP A 26 6.202 -9.508 -14.410 1.00 12.12 O ATOM 0 H ASP A 26 3.756 -5.391 -14.068 1.00 13.30 H new ATOM 0 HA ASP A 26 2.630 -8.049 -14.366 1.00 72.44 H new ATOM 0 HB2 ASP A 26 4.492 -7.246 -15.788 1.00 21.21 H new ATOM 0 HB3 ASP A 26 5.516 -7.091 -14.374 1.00 21.21 H new ATOM 353 N GLU A 27 3.754 -7.119 -11.534 1.00 65.01 N ATOM 354 CA GLU A 27 3.965 -7.512 -10.153 1.00 71.02 C ATOM 355 C GLU A 27 2.664 -8.092 -9.587 1.00 22.22 C ATOM 356 O GLU A 27 1.580 -7.561 -9.862 1.00 12.35 O ATOM 357 CB GLU A 27 4.418 -6.322 -9.294 1.00 12.33 C ATOM 358 CG GLU A 27 5.662 -5.612 -9.803 1.00 44.53 C ATOM 359 CD GLU A 27 6.855 -6.515 -9.930 1.00 13.53 C ATOM 360 OE1 GLU A 27 7.500 -6.818 -8.906 1.00 14.51 O ATOM 361 OE2 GLU A 27 7.203 -6.902 -11.060 1.00 12.40 O ATOM 0 H GLU A 27 3.669 -6.113 -11.679 1.00 65.01 H new ATOM 0 HA GLU A 27 4.753 -8.264 -10.127 1.00 71.02 H new ATOM 0 HB2 GLU A 27 3.602 -5.601 -9.236 1.00 12.33 H new ATOM 0 HB3 GLU A 27 4.606 -6.674 -8.279 1.00 12.33 H new ATOM 0 HG2 GLU A 27 5.446 -5.169 -10.775 1.00 44.53 H new ATOM 0 HG3 GLU A 27 5.906 -4.793 -9.127 1.00 44.53 H new ATOM 368 N PRO A 28 2.752 -9.202 -8.833 1.00 62.21 N ATOM 369 CA PRO A 28 1.592 -9.883 -8.234 1.00 2.21 C ATOM 370 C PRO A 28 0.663 -8.944 -7.428 1.00 15.41 C ATOM 371 O PRO A 28 1.108 -8.171 -6.544 1.00 2.22 O ATOM 372 CB PRO A 28 2.239 -10.923 -7.317 1.00 3.34 C ATOM 373 CG PRO A 28 3.544 -11.206 -7.943 1.00 52.33 C ATOM 374 CD PRO A 28 4.006 -9.909 -8.522 1.00 42.14 C ATOM 0 HA PRO A 28 0.938 -10.301 -8.999 1.00 2.21 H new ATOM 0 HB2 PRO A 28 2.360 -10.539 -6.304 1.00 3.34 H new ATOM 0 HB3 PRO A 28 1.629 -11.824 -7.246 1.00 3.34 H new ATOM 0 HG2 PRO A 28 4.256 -11.583 -7.209 1.00 52.33 H new ATOM 0 HG3 PRO A 28 3.450 -11.968 -8.716 1.00 52.33 H new ATOM 0 HD2 PRO A 28 4.617 -9.349 -7.814 1.00 42.14 H new ATOM 0 HD3 PRO A 28 4.612 -10.062 -9.415 1.00 42.14 H new ATOM 382 N THR A 29 -0.623 -9.051 -7.693 1.00 52.24 N ATOM 383 CA THR A 29 -1.616 -8.208 -7.083 1.00 72.14 C ATOM 384 C THR A 29 -2.868 -9.006 -6.666 1.00 2.12 C ATOM 385 O THR A 29 -3.115 -10.104 -7.150 1.00 13.44 O ATOM 386 CB THR A 29 -2.021 -7.069 -8.048 1.00 12.01 C ATOM 387 OG1 THR A 29 -2.187 -7.596 -9.373 1.00 60.02 O ATOM 388 CG2 THR A 29 -0.995 -5.942 -8.063 1.00 11.42 C ATOM 0 H THR A 29 -1.006 -9.735 -8.346 1.00 52.24 H new ATOM 0 HA THR A 29 -1.172 -7.783 -6.183 1.00 72.14 H new ATOM 0 HB THR A 29 -2.963 -6.651 -7.693 1.00 12.01 H new ATOM 0 HG1 THR A 29 -2.445 -6.873 -9.983 1.00 60.02 H new ATOM 0 HG21 THR A 29 -1.319 -5.164 -8.754 1.00 11.42 H new ATOM 0 HG22 THR A 29 -0.901 -5.522 -7.062 1.00 11.42 H new ATOM 0 HG23 THR A 29 -0.030 -6.333 -8.384 1.00 11.42 H new ATOM 396 N TYR A 30 -3.600 -8.444 -5.755 1.00 3.54 N ATOM 397 CA TYR A 30 -4.866 -8.925 -5.259 1.00 25.13 C ATOM 398 C TYR A 30 -5.923 -8.003 -5.755 1.00 55.11 C ATOM 399 O TYR A 30 -5.638 -6.851 -6.091 1.00 1.21 O ATOM 400 CB TYR A 30 -4.931 -8.939 -3.726 1.00 11.40 C ATOM 401 CG TYR A 30 -4.493 -10.224 -3.088 1.00 70.42 C ATOM 402 CD1 TYR A 30 -5.121 -11.416 -3.417 1.00 34.35 C ATOM 403 CD2 TYR A 30 -3.488 -10.251 -2.141 1.00 43.35 C ATOM 404 CE1 TYR A 30 -4.757 -12.603 -2.830 1.00 1.53 C ATOM 405 CE2 TYR A 30 -3.110 -11.437 -1.544 1.00 45.55 C ATOM 406 CZ TYR A 30 -3.748 -12.611 -1.893 1.00 32.24 C ATOM 407 OH TYR A 30 -3.369 -13.798 -1.302 1.00 73.43 O ATOM 0 H TYR A 30 -3.314 -7.576 -5.302 1.00 3.54 H new ATOM 0 HA TYR A 30 -5.001 -9.949 -5.608 1.00 25.13 H new ATOM 0 HB2 TYR A 30 -4.310 -8.130 -3.343 1.00 11.40 H new ATOM 0 HB3 TYR A 30 -5.955 -8.728 -3.418 1.00 11.40 H new ATOM 0 HD1 TYR A 30 -5.913 -11.411 -4.151 1.00 34.35 H new ATOM 0 HD2 TYR A 30 -2.992 -9.333 -1.864 1.00 43.35 H new ATOM 0 HE1 TYR A 30 -5.257 -13.521 -3.101 1.00 1.53 H new ATOM 0 HE2 TYR A 30 -2.320 -11.447 -0.808 1.00 45.55 H new ATOM 0 HH TYR A 30 -2.644 -13.629 -0.665 1.00 73.43 H new ATOM 417 N ASP A 31 -7.117 -8.468 -5.757 1.00 21.52 N ATOM 418 CA ASP A 31 -8.249 -7.736 -6.261 1.00 5.54 C ATOM 419 C ASP A 31 -9.331 -7.919 -5.251 1.00 3.42 C ATOM 420 O ASP A 31 -9.233 -8.848 -4.435 1.00 71.43 O ATOM 421 CB ASP A 31 -8.713 -8.326 -7.608 1.00 41.25 C ATOM 422 CG ASP A 31 -7.700 -8.191 -8.731 1.00 5.20 C ATOM 423 OD1 ASP A 31 -6.713 -8.978 -8.785 1.00 55.13 O ATOM 424 OD2 ASP A 31 -7.879 -7.322 -9.590 1.00 72.45 O ATOM 0 H ASP A 31 -7.355 -9.394 -5.401 1.00 21.52 H new ATOM 0 HA ASP A 31 -8.001 -6.687 -6.420 1.00 5.54 H new ATOM 0 HB2 ASP A 31 -8.945 -9.382 -7.468 1.00 41.25 H new ATOM 0 HB3 ASP A 31 -9.638 -7.834 -7.908 1.00 41.25 H new ATOM 429 N LEU A 32 -10.347 -7.077 -5.287 1.00 71.05 N ATOM 430 CA LEU A 32 -11.426 -7.096 -4.279 1.00 75.41 C ATOM 431 C LEU A 32 -12.046 -8.502 -4.073 1.00 44.01 C ATOM 432 O LEU A 32 -12.053 -8.996 -2.936 1.00 33.54 O ATOM 433 CB LEU A 32 -12.502 -6.029 -4.561 1.00 63.44 C ATOM 434 CG LEU A 32 -12.032 -4.564 -4.543 1.00 41.23 C ATOM 435 CD1 LEU A 32 -13.182 -3.632 -4.896 1.00 5.12 C ATOM 436 CD2 LEU A 32 -11.449 -4.193 -3.181 1.00 51.34 C ATOM 0 H LEU A 32 -10.461 -6.361 -6.004 1.00 71.05 H new ATOM 0 HA LEU A 32 -10.952 -6.835 -3.333 1.00 75.41 H new ATOM 0 HB2 LEU A 32 -12.941 -6.235 -5.537 1.00 63.44 H new ATOM 0 HB3 LEU A 32 -13.297 -6.142 -3.824 1.00 63.44 H new ATOM 0 HG LEU A 32 -11.247 -4.452 -5.291 1.00 41.23 H new ATOM 0 HD11 LEU A 32 -12.832 -2.600 -4.879 1.00 5.12 H new ATOM 0 HD12 LEU A 32 -13.553 -3.873 -5.892 1.00 5.12 H new ATOM 0 HD13 LEU A 32 -13.986 -3.755 -4.170 1.00 5.12 H new ATOM 0 HD21 LEU A 32 -11.124 -3.153 -3.195 1.00 51.34 H new ATOM 0 HD22 LEU A 32 -12.209 -4.325 -2.411 1.00 51.34 H new ATOM 0 HD23 LEU A 32 -10.596 -4.836 -2.963 1.00 51.34 H new ATOM 448 N PRO A 33 -12.537 -9.197 -5.155 1.00 53.02 N ATOM 449 CA PRO A 33 -13.075 -10.558 -5.022 1.00 75.03 C ATOM 450 C PRO A 33 -12.031 -11.533 -4.460 1.00 44.53 C ATOM 451 O PRO A 33 -12.349 -12.379 -3.641 1.00 42.25 O ATOM 452 CB PRO A 33 -13.445 -10.956 -6.465 1.00 61.33 C ATOM 453 CG PRO A 33 -12.741 -9.977 -7.341 1.00 2.22 C ATOM 454 CD PRO A 33 -12.660 -8.711 -6.551 1.00 11.24 C ATOM 0 HA PRO A 33 -13.918 -10.592 -4.332 1.00 75.03 H new ATOM 0 HB2 PRO A 33 -13.130 -11.976 -6.684 1.00 61.33 H new ATOM 0 HB3 PRO A 33 -14.523 -10.916 -6.619 1.00 61.33 H new ATOM 0 HG2 PRO A 33 -11.747 -10.336 -7.609 1.00 2.22 H new ATOM 0 HG3 PRO A 33 -13.286 -9.823 -8.272 1.00 2.22 H new ATOM 0 HD2 PRO A 33 -11.802 -8.106 -6.845 1.00 11.24 H new ATOM 0 HD3 PRO A 33 -13.548 -8.093 -6.687 1.00 11.24 H new ATOM 462 N ARG A 34 -10.773 -11.348 -4.859 1.00 60.32 N ATOM 463 CA ARG A 34 -9.691 -12.236 -4.448 1.00 3.51 C ATOM 464 C ARG A 34 -9.354 -12.073 -2.976 1.00 52.02 C ATOM 465 O ARG A 34 -9.042 -13.034 -2.303 1.00 61.43 O ATOM 466 CB ARG A 34 -8.439 -12.067 -5.327 1.00 22.31 C ATOM 467 CG ARG A 34 -8.442 -12.849 -6.653 1.00 1.24 C ATOM 468 CD ARG A 34 -9.688 -12.601 -7.494 1.00 42.44 C ATOM 469 NE ARG A 34 -9.606 -13.216 -8.826 1.00 64.00 N ATOM 470 CZ ARG A 34 -10.506 -14.070 -9.349 1.00 71.12 C ATOM 471 NH1 ARG A 34 -11.402 -14.676 -8.564 1.00 14.33 N ATOM 472 NH2 ARG A 34 -10.437 -14.394 -10.644 1.00 60.41 N ATOM 0 H ARG A 34 -10.479 -10.586 -5.470 1.00 60.32 H new ATOM 0 HA ARG A 34 -10.053 -13.254 -4.591 1.00 3.51 H new ATOM 0 HB2 ARG A 34 -8.316 -11.008 -5.552 1.00 22.31 H new ATOM 0 HB3 ARG A 34 -7.568 -12.373 -4.748 1.00 22.31 H new ATOM 0 HG2 ARG A 34 -7.560 -12.573 -7.232 1.00 1.24 H new ATOM 0 HG3 ARG A 34 -8.362 -13.915 -6.439 1.00 1.24 H new ATOM 0 HD2 ARG A 34 -10.559 -12.994 -6.970 1.00 42.44 H new ATOM 0 HD3 ARG A 34 -9.840 -11.527 -7.603 1.00 42.44 H new ATOM 0 HE ARG A 34 -8.800 -12.976 -9.403 1.00 64.00 H new ATOM 0 HH11 ARG A 34 -11.407 -14.493 -7.561 1.00 14.33 H new ATOM 0 HH12 ARG A 34 -12.080 -15.322 -8.968 1.00 14.33 H new ATOM 0 HH21 ARG A 34 -9.705 -13.995 -11.231 1.00 60.41 H new ATOM 0 HH22 ARG A 34 -11.116 -15.041 -11.045 1.00 60.41 H new ATOM 486 N VAL A 35 -9.400 -10.858 -2.474 1.00 21.20 N ATOM 487 CA VAL A 35 -9.162 -10.643 -1.049 1.00 43.43 C ATOM 488 C VAL A 35 -10.330 -11.190 -0.242 1.00 72.44 C ATOM 489 O VAL A 35 -10.144 -11.771 0.845 1.00 71.54 O ATOM 490 CB VAL A 35 -8.851 -9.168 -0.672 1.00 60.13 C ATOM 491 CG1 VAL A 35 -8.557 -9.028 0.819 1.00 34.42 C ATOM 492 CG2 VAL A 35 -7.687 -8.640 -1.480 1.00 23.34 C ATOM 0 H VAL A 35 -9.595 -10.014 -3.012 1.00 21.20 H new ATOM 0 HA VAL A 35 -8.255 -11.193 -0.797 1.00 43.43 H new ATOM 0 HB VAL A 35 -9.737 -8.577 -0.904 1.00 60.13 H new ATOM 0 HG11 VAL A 35 -8.343 -7.985 1.051 1.00 34.42 H new ATOM 0 HG12 VAL A 35 -9.423 -9.358 1.393 1.00 34.42 H new ATOM 0 HG13 VAL A 35 -7.694 -9.642 1.079 1.00 34.42 H new ATOM 0 HG21 VAL A 35 -7.488 -7.606 -1.199 1.00 23.34 H new ATOM 0 HG22 VAL A 35 -6.803 -9.246 -1.283 1.00 23.34 H new ATOM 0 HG23 VAL A 35 -7.930 -8.687 -2.542 1.00 23.34 H new ATOM 502 N ALA A 36 -11.528 -11.018 -0.784 1.00 44.24 N ATOM 503 CA ALA A 36 -12.721 -11.578 -0.189 1.00 63.42 C ATOM 504 C ALA A 36 -12.551 -13.094 -0.086 1.00 2.30 C ATOM 505 O ALA A 36 -12.867 -13.706 0.930 1.00 2.51 O ATOM 506 CB ALA A 36 -13.944 -11.217 -1.023 1.00 52.51 C ATOM 0 H ALA A 36 -11.694 -10.490 -1.641 1.00 44.24 H new ATOM 0 HA ALA A 36 -12.871 -11.167 0.809 1.00 63.42 H new ATOM 0 HB1 ALA A 36 -14.836 -11.644 -0.565 1.00 52.51 H new ATOM 0 HB2 ALA A 36 -14.045 -10.133 -1.071 1.00 52.51 H new ATOM 0 HB3 ALA A 36 -13.828 -11.615 -2.031 1.00 52.51 H new ATOM 512 N GLU A 37 -11.999 -13.663 -1.139 1.00 53.33 N ATOM 513 CA GLU A 37 -11.652 -15.069 -1.211 1.00 5.01 C ATOM 514 C GLU A 37 -10.585 -15.450 -0.180 1.00 65.30 C ATOM 515 O GLU A 37 -10.719 -16.457 0.535 1.00 10.55 O ATOM 516 CB GLU A 37 -11.130 -15.363 -2.611 1.00 52.22 C ATOM 517 CG GLU A 37 -12.210 -15.464 -3.670 1.00 41.20 C ATOM 518 CD GLU A 37 -11.682 -15.772 -5.044 1.00 51.14 C ATOM 519 OE1 GLU A 37 -11.348 -16.949 -5.306 1.00 31.00 O ATOM 520 OE2 GLU A 37 -11.613 -14.862 -5.900 1.00 13.24 O ATOM 0 H GLU A 37 -11.774 -13.148 -1.990 1.00 53.33 H new ATOM 0 HA GLU A 37 -12.543 -15.657 -0.992 1.00 5.01 H new ATOM 0 HB2 GLU A 37 -10.429 -14.579 -2.897 1.00 52.22 H new ATOM 0 HB3 GLU A 37 -10.570 -16.298 -2.589 1.00 52.22 H new ATOM 0 HG2 GLU A 37 -12.919 -16.240 -3.381 1.00 41.20 H new ATOM 0 HG3 GLU A 37 -12.762 -14.525 -3.705 1.00 41.20 H new ATOM 527 N LEU A 38 -9.564 -14.630 -0.093 1.00 54.42 N ATOM 528 CA LEU A 38 -8.429 -14.850 0.785 1.00 14.30 C ATOM 529 C LEU A 38 -8.837 -14.887 2.254 1.00 40.10 C ATOM 530 O LEU A 38 -8.497 -15.823 2.977 1.00 31.23 O ATOM 531 CB LEU A 38 -7.387 -13.744 0.561 1.00 41.03 C ATOM 532 CG LEU A 38 -6.119 -13.816 1.413 1.00 42.42 C ATOM 533 CD1 LEU A 38 -5.309 -15.063 1.088 1.00 41.11 C ATOM 534 CD2 LEU A 38 -5.284 -12.561 1.229 1.00 51.24 C ATOM 0 H LEU A 38 -9.494 -13.772 -0.640 1.00 54.42 H new ATOM 0 HA LEU A 38 -8.003 -15.823 0.541 1.00 14.30 H new ATOM 0 HB2 LEU A 38 -7.094 -13.760 -0.489 1.00 41.03 H new ATOM 0 HB3 LEU A 38 -7.866 -12.782 0.744 1.00 41.03 H new ATOM 0 HG LEU A 38 -6.416 -13.880 2.460 1.00 42.42 H new ATOM 0 HD11 LEU A 38 -4.413 -15.087 1.709 1.00 41.11 H new ATOM 0 HD12 LEU A 38 -5.911 -15.950 1.285 1.00 41.11 H new ATOM 0 HD13 LEU A 38 -5.021 -15.046 0.037 1.00 41.11 H new ATOM 0 HD21 LEU A 38 -4.385 -12.629 1.842 1.00 51.24 H new ATOM 0 HD22 LEU A 38 -5.001 -12.462 0.181 1.00 51.24 H new ATOM 0 HD23 LEU A 38 -5.865 -11.690 1.532 1.00 51.24 H new ATOM 546 N LEU A 39 -9.581 -13.898 2.683 1.00 45.51 N ATOM 547 CA LEU A 39 -9.955 -13.802 4.081 1.00 31.10 C ATOM 548 C LEU A 39 -11.254 -14.545 4.380 1.00 65.03 C ATOM 549 O LEU A 39 -11.598 -14.766 5.549 1.00 63.34 O ATOM 550 CB LEU A 39 -10.053 -12.336 4.513 1.00 51.34 C ATOM 551 CG LEU A 39 -8.774 -11.494 4.381 1.00 25.32 C ATOM 552 CD1 LEU A 39 -9.038 -10.058 4.799 1.00 22.03 C ATOM 553 CD2 LEU A 39 -7.640 -12.087 5.211 1.00 52.11 C ATOM 0 H LEU A 39 -9.941 -13.149 2.091 1.00 45.51 H new ATOM 0 HA LEU A 39 -9.169 -14.285 4.662 1.00 31.10 H new ATOM 0 HB2 LEU A 39 -10.837 -11.859 3.925 1.00 51.34 H new ATOM 0 HB3 LEU A 39 -10.374 -12.308 5.554 1.00 51.34 H new ATOM 0 HG LEU A 39 -8.470 -11.504 3.334 1.00 25.32 H new ATOM 0 HD11 LEU A 39 -8.122 -9.476 4.699 1.00 22.03 H new ATOM 0 HD12 LEU A 39 -9.811 -9.630 4.161 1.00 22.03 H new ATOM 0 HD13 LEU A 39 -9.371 -10.036 5.837 1.00 22.03 H new ATOM 0 HD21 LEU A 39 -6.747 -11.472 5.099 1.00 52.11 H new ATOM 0 HD22 LEU A 39 -7.933 -12.114 6.261 1.00 52.11 H new ATOM 0 HD23 LEU A 39 -7.428 -13.099 4.867 1.00 52.11 H new ATOM 565 N GLY A 40 -11.964 -14.925 3.339 1.00 4.51 N ATOM 566 CA GLY A 40 -13.228 -15.619 3.506 1.00 75.44 C ATOM 567 C GLY A 40 -14.313 -14.675 3.960 1.00 71.11 C ATOM 568 O GLY A 40 -15.273 -15.072 4.629 1.00 31.52 O ATOM 0 H GLY A 40 -11.690 -14.767 2.369 1.00 4.51 H new ATOM 0 HA2 GLY A 40 -13.518 -16.084 2.564 1.00 75.44 H new ATOM 0 HA3 GLY A 40 -13.112 -16.421 4.235 1.00 75.44 H new ATOM 572 N VAL A 41 -14.161 -13.431 3.599 1.00 20.35 N ATOM 573 CA VAL A 41 -15.070 -12.377 4.008 1.00 52.11 C ATOM 574 C VAL A 41 -15.720 -11.760 2.778 1.00 11.20 C ATOM 575 O VAL A 41 -15.244 -11.970 1.675 1.00 14.45 O ATOM 576 CB VAL A 41 -14.322 -11.263 4.813 1.00 45.10 C ATOM 577 CG1 VAL A 41 -13.671 -11.832 6.064 1.00 65.44 C ATOM 578 CG2 VAL A 41 -13.288 -10.548 3.944 1.00 43.22 C ATOM 0 H VAL A 41 -13.396 -13.109 3.006 1.00 20.35 H new ATOM 0 HA VAL A 41 -15.830 -12.816 4.654 1.00 52.11 H new ATOM 0 HB VAL A 41 -15.066 -10.529 5.122 1.00 45.10 H new ATOM 0 HG11 VAL A 41 -13.159 -11.035 6.603 1.00 65.44 H new ATOM 0 HG12 VAL A 41 -14.436 -12.270 6.705 1.00 65.44 H new ATOM 0 HG13 VAL A 41 -12.951 -12.600 5.782 1.00 65.44 H new ATOM 0 HG21 VAL A 41 -12.786 -9.780 4.533 1.00 43.22 H new ATOM 0 HG22 VAL A 41 -12.553 -11.269 3.586 1.00 43.22 H new ATOM 0 HG23 VAL A 41 -13.786 -10.084 3.093 1.00 43.22 H new ATOM 588 N PRO A 42 -16.847 -11.064 2.931 1.00 54.31 N ATOM 589 CA PRO A 42 -17.461 -10.325 1.828 1.00 50.32 C ATOM 590 C PRO A 42 -16.606 -9.111 1.408 1.00 50.53 C ATOM 591 O PRO A 42 -15.781 -8.602 2.200 1.00 21.42 O ATOM 592 CB PRO A 42 -18.792 -9.841 2.422 1.00 3.11 C ATOM 593 CG PRO A 42 -18.565 -9.838 3.886 1.00 55.25 C ATOM 594 CD PRO A 42 -17.663 -10.999 4.149 1.00 40.12 C ATOM 0 HA PRO A 42 -17.571 -10.939 0.934 1.00 50.32 H new ATOM 0 HB2 PRO A 42 -19.051 -8.847 2.058 1.00 3.11 H new ATOM 0 HB3 PRO A 42 -19.613 -10.504 2.149 1.00 3.11 H new ATOM 0 HG2 PRO A 42 -18.108 -8.903 4.211 1.00 55.25 H new ATOM 0 HG3 PRO A 42 -19.504 -9.939 4.430 1.00 55.25 H new ATOM 0 HD2 PRO A 42 -17.051 -10.842 5.037 1.00 40.12 H new ATOM 0 HD3 PRO A 42 -18.225 -11.919 4.308 1.00 40.12 H new ATOM 602 N VAL A 43 -16.844 -8.628 0.196 1.00 32.34 N ATOM 603 CA VAL A 43 -16.120 -7.478 -0.381 1.00 65.34 C ATOM 604 C VAL A 43 -16.288 -6.239 0.505 1.00 52.00 C ATOM 605 O VAL A 43 -15.371 -5.433 0.668 1.00 52.10 O ATOM 606 CB VAL A 43 -16.633 -7.157 -1.815 1.00 50.44 C ATOM 607 CG1 VAL A 43 -15.856 -6.007 -2.445 1.00 2.12 C ATOM 608 CG2 VAL A 43 -16.562 -8.390 -2.696 1.00 40.44 C ATOM 0 H VAL A 43 -17.549 -9.019 -0.429 1.00 32.34 H new ATOM 0 HA VAL A 43 -15.065 -7.746 -0.435 1.00 65.34 H new ATOM 0 HB VAL A 43 -17.674 -6.846 -1.730 1.00 50.44 H new ATOM 0 HG11 VAL A 43 -16.242 -5.812 -3.445 1.00 2.12 H new ATOM 0 HG12 VAL A 43 -15.968 -5.113 -1.832 1.00 2.12 H new ATOM 0 HG13 VAL A 43 -14.801 -6.273 -2.509 1.00 2.12 H new ATOM 0 HG21 VAL A 43 -16.925 -8.145 -3.694 1.00 40.44 H new ATOM 0 HG22 VAL A 43 -15.529 -8.733 -2.759 1.00 40.44 H new ATOM 0 HG23 VAL A 43 -17.181 -9.179 -2.268 1.00 40.44 H new ATOM 618 N SER A 44 -17.448 -6.131 1.101 1.00 45.14 N ATOM 619 CA SER A 44 -17.773 -5.045 1.986 1.00 44.25 C ATOM 620 C SER A 44 -16.833 -5.008 3.216 1.00 25.41 C ATOM 621 O SER A 44 -16.398 -3.929 3.635 1.00 25.05 O ATOM 622 CB SER A 44 -19.236 -5.156 2.371 1.00 62.43 C ATOM 623 OG SER A 44 -20.054 -5.070 1.205 1.00 11.02 O ATOM 0 H SER A 44 -18.204 -6.806 0.982 1.00 45.14 H new ATOM 0 HA SER A 44 -17.618 -4.095 1.475 1.00 44.25 H new ATOM 0 HB2 SER A 44 -19.415 -6.102 2.883 1.00 62.43 H new ATOM 0 HB3 SER A 44 -19.498 -4.361 3.069 1.00 62.43 H new ATOM 0 HG SER A 44 -20.997 -5.144 1.461 1.00 11.02 H new ATOM 629 N LYS A 45 -16.483 -6.180 3.758 1.00 32.44 N ATOM 630 CA LYS A 45 -15.533 -6.238 4.867 1.00 63.33 C ATOM 631 C LYS A 45 -14.132 -5.874 4.411 1.00 41.31 C ATOM 632 O LYS A 45 -13.378 -5.249 5.149 1.00 30.44 O ATOM 633 CB LYS A 45 -15.563 -7.580 5.614 1.00 42.02 C ATOM 634 CG LYS A 45 -16.740 -7.713 6.584 1.00 50.44 C ATOM 635 CD LYS A 45 -16.748 -9.054 7.332 1.00 72.03 C ATOM 636 CE LYS A 45 -15.464 -9.317 8.127 1.00 41.42 C ATOM 637 NZ LYS A 45 -15.240 -8.342 9.213 1.00 11.14 N ATOM 0 H LYS A 45 -16.838 -7.086 3.451 1.00 32.44 H new ATOM 0 HA LYS A 45 -15.853 -5.488 5.590 1.00 63.33 H new ATOM 0 HB2 LYS A 45 -15.608 -8.391 4.887 1.00 42.02 H new ATOM 0 HB3 LYS A 45 -14.631 -7.700 6.167 1.00 42.02 H new ATOM 0 HG2 LYS A 45 -16.702 -6.899 7.308 1.00 50.44 H new ATOM 0 HG3 LYS A 45 -17.674 -7.605 6.032 1.00 50.44 H new ATOM 0 HD2 LYS A 45 -17.599 -9.076 8.013 1.00 72.03 H new ATOM 0 HD3 LYS A 45 -16.893 -9.861 6.614 1.00 72.03 H new ATOM 0 HE2 LYS A 45 -15.507 -10.320 8.552 1.00 41.42 H new ATOM 0 HE3 LYS A 45 -14.613 -9.295 7.447 1.00 41.42 H new ATOM 0 HZ1 LYS A 45 -14.357 -8.574 9.712 1.00 11.14 H new ATOM 0 HZ2 LYS A 45 -15.169 -7.385 8.811 1.00 11.14 H new ATOM 0 HZ3 LYS A 45 -16.035 -8.379 9.882 1.00 11.14 H new ATOM 651 N VAL A 46 -13.802 -6.237 3.178 1.00 35.15 N ATOM 652 CA VAL A 46 -12.516 -5.869 2.584 1.00 32.25 C ATOM 653 C VAL A 46 -12.423 -4.342 2.512 1.00 74.14 C ATOM 654 O VAL A 46 -11.405 -3.740 2.887 1.00 32.20 O ATOM 655 CB VAL A 46 -12.351 -6.458 1.154 1.00 23.11 C ATOM 656 CG1 VAL A 46 -11.022 -6.045 0.540 1.00 33.41 C ATOM 657 CG2 VAL A 46 -12.480 -7.973 1.175 1.00 61.41 C ATOM 0 H VAL A 46 -14.406 -6.787 2.566 1.00 35.15 H new ATOM 0 HA VAL A 46 -11.722 -6.278 3.209 1.00 32.25 H new ATOM 0 HB VAL A 46 -13.151 -6.053 0.534 1.00 23.11 H new ATOM 0 HG11 VAL A 46 -10.935 -6.471 -0.459 1.00 33.41 H new ATOM 0 HG12 VAL A 46 -10.973 -4.958 0.476 1.00 33.41 H new ATOM 0 HG13 VAL A 46 -10.205 -6.409 1.163 1.00 33.41 H new ATOM 0 HG21 VAL A 46 -12.361 -8.362 0.164 1.00 61.41 H new ATOM 0 HG22 VAL A 46 -11.709 -8.395 1.819 1.00 61.41 H new ATOM 0 HG23 VAL A 46 -13.463 -8.249 1.557 1.00 61.41 H new ATOM 667 N ALA A 47 -13.513 -3.730 2.076 1.00 54.21 N ATOM 668 CA ALA A 47 -13.612 -2.290 2.003 1.00 64.44 C ATOM 669 C ALA A 47 -13.504 -1.677 3.397 1.00 14.21 C ATOM 670 O ALA A 47 -12.899 -0.629 3.564 1.00 32.32 O ATOM 671 CB ALA A 47 -14.900 -1.870 1.320 1.00 63.03 C ATOM 0 H ALA A 47 -14.351 -4.222 1.764 1.00 54.21 H new ATOM 0 HA ALA A 47 -12.782 -1.918 1.402 1.00 64.44 H new ATOM 0 HB1 ALA A 47 -14.951 -0.782 1.277 1.00 63.03 H new ATOM 0 HB2 ALA A 47 -14.924 -2.274 0.308 1.00 63.03 H new ATOM 0 HB3 ALA A 47 -15.752 -2.251 1.883 1.00 63.03 H new ATOM 677 N GLN A 48 -14.067 -2.353 4.402 1.00 32.34 N ATOM 678 CA GLN A 48 -13.981 -1.882 5.791 1.00 14.41 C ATOM 679 C GLN A 48 -12.546 -1.831 6.259 1.00 51.34 C ATOM 680 O GLN A 48 -12.154 -0.888 6.902 1.00 64.23 O ATOM 681 CB GLN A 48 -14.811 -2.728 6.762 1.00 45.53 C ATOM 682 CG GLN A 48 -16.309 -2.533 6.659 1.00 22.34 C ATOM 683 CD GLN A 48 -16.733 -1.098 6.945 1.00 61.44 C ATOM 684 OE1 GLN A 48 -16.821 -0.272 6.040 1.00 63.44 O ATOM 685 NE2 GLN A 48 -16.993 -0.788 8.185 1.00 52.22 N ATOM 0 H GLN A 48 -14.585 -3.224 4.283 1.00 32.34 H new ATOM 0 HA GLN A 48 -14.401 -0.876 5.793 1.00 14.41 H new ATOM 0 HB2 GLN A 48 -14.584 -3.780 6.590 1.00 45.53 H new ATOM 0 HB3 GLN A 48 -14.499 -2.497 7.780 1.00 45.53 H new ATOM 0 HG2 GLN A 48 -16.641 -2.814 5.659 1.00 22.34 H new ATOM 0 HG3 GLN A 48 -16.808 -3.202 7.360 1.00 22.34 H new ATOM 0 HE21 GLN A 48 -16.911 -1.495 8.915 1.00 52.22 H new ATOM 0 HE22 GLN A 48 -17.278 0.162 8.424 1.00 52.22 H new ATOM 694 N GLN A 49 -11.758 -2.836 5.895 1.00 51.21 N ATOM 695 CA GLN A 49 -10.334 -2.880 6.250 1.00 3.14 C ATOM 696 C GLN A 49 -9.629 -1.660 5.696 1.00 32.35 C ATOM 697 O GLN A 49 -8.856 -0.990 6.391 1.00 53.41 O ATOM 698 CB GLN A 49 -9.679 -4.142 5.687 1.00 53.22 C ATOM 699 CG GLN A 49 -10.284 -5.445 6.183 1.00 33.12 C ATOM 700 CD GLN A 49 -10.076 -5.697 7.674 1.00 43.24 C ATOM 701 OE1 GLN A 49 -9.974 -4.774 8.482 1.00 30.43 O ATOM 702 NE2 GLN A 49 -10.039 -6.946 8.052 1.00 35.11 N ATOM 0 H GLN A 49 -12.078 -3.638 5.351 1.00 51.21 H new ATOM 0 HA GLN A 49 -10.249 -2.892 7.337 1.00 3.14 H new ATOM 0 HB2 GLN A 49 -9.747 -4.116 4.599 1.00 53.22 H new ATOM 0 HB3 GLN A 49 -8.619 -4.129 5.941 1.00 53.22 H new ATOM 0 HG2 GLN A 49 -11.353 -5.441 5.971 1.00 33.12 H new ATOM 0 HG3 GLN A 49 -9.851 -6.272 5.621 1.00 33.12 H new ATOM 0 HE21 GLN A 49 -10.126 -7.691 7.361 1.00 35.11 H new ATOM 0 HE22 GLN A 49 -9.923 -7.177 9.039 1.00 35.11 H new ATOM 711 N LEU A 50 -9.946 -1.361 4.458 1.00 25.44 N ATOM 712 CA LEU A 50 -9.416 -0.204 3.755 1.00 13.43 C ATOM 713 C LEU A 50 -9.850 1.098 4.459 1.00 41.22 C ATOM 714 O LEU A 50 -9.075 2.037 4.572 1.00 5.13 O ATOM 715 CB LEU A 50 -9.903 -0.234 2.291 1.00 15.43 C ATOM 716 CG LEU A 50 -9.472 0.918 1.369 1.00 51.32 C ATOM 717 CD1 LEU A 50 -7.962 0.983 1.230 1.00 64.11 C ATOM 718 CD2 LEU A 50 -10.122 0.763 0.003 1.00 43.43 C ATOM 0 H LEU A 50 -10.589 -1.920 3.897 1.00 25.44 H new ATOM 0 HA LEU A 50 -8.327 -0.237 3.765 1.00 13.43 H new ATOM 0 HB2 LEU A 50 -9.561 -1.167 1.843 1.00 15.43 H new ATOM 0 HB3 LEU A 50 -10.993 -0.265 2.301 1.00 15.43 H new ATOM 0 HG LEU A 50 -9.804 1.853 1.820 1.00 51.32 H new ATOM 0 HD11 LEU A 50 -7.692 1.809 0.571 1.00 64.11 H new ATOM 0 HD12 LEU A 50 -7.513 1.139 2.211 1.00 64.11 H new ATOM 0 HD13 LEU A 50 -7.595 0.048 0.808 1.00 64.11 H new ATOM 0 HD21 LEU A 50 -9.811 1.584 -0.643 1.00 43.43 H new ATOM 0 HD22 LEU A 50 -9.815 -0.184 -0.440 1.00 43.43 H new ATOM 0 HD23 LEU A 50 -11.206 0.778 0.112 1.00 43.43 H new ATOM 730 N ARG A 51 -11.092 1.125 4.940 1.00 13.03 N ATOM 731 CA ARG A 51 -11.631 2.281 5.673 1.00 24.52 C ATOM 732 C ARG A 51 -11.001 2.412 7.069 1.00 54.03 C ATOM 733 O ARG A 51 -10.930 3.509 7.628 1.00 11.13 O ATOM 734 CB ARG A 51 -13.165 2.198 5.822 1.00 70.13 C ATOM 735 CG ARG A 51 -13.958 2.119 4.522 1.00 63.53 C ATOM 736 CD ARG A 51 -13.653 3.257 3.556 1.00 51.11 C ATOM 737 NE ARG A 51 -13.949 4.594 4.100 1.00 12.14 N ATOM 738 CZ ARG A 51 -13.990 5.724 3.368 1.00 63.21 C ATOM 739 NH1 ARG A 51 -13.732 5.693 2.058 1.00 31.51 N ATOM 740 NH2 ARG A 51 -14.291 6.879 3.953 1.00 5.24 N ATOM 0 H ARG A 51 -11.753 0.355 4.836 1.00 13.03 H new ATOM 0 HA ARG A 51 -11.377 3.161 5.082 1.00 24.52 H new ATOM 0 HB2 ARG A 51 -13.405 1.322 6.425 1.00 70.13 H new ATOM 0 HB3 ARG A 51 -13.504 3.071 6.379 1.00 70.13 H new ATOM 0 HG2 ARG A 51 -13.744 1.169 4.032 1.00 63.53 H new ATOM 0 HG3 ARG A 51 -15.023 2.125 4.754 1.00 63.53 H new ATOM 0 HD2 ARG A 51 -12.600 3.213 3.278 1.00 51.11 H new ATOM 0 HD3 ARG A 51 -14.230 3.111 2.643 1.00 51.11 H new ATOM 0 HE ARG A 51 -14.136 4.669 5.100 1.00 12.14 H new ATOM 0 HH11 ARG A 51 -13.502 4.809 1.604 1.00 31.51 H new ATOM 0 HH12 ARG A 51 -13.765 6.553 1.511 1.00 31.51 H new ATOM 0 HH21 ARG A 51 -14.490 6.908 4.953 1.00 5.24 H new ATOM 0 HH22 ARG A 51 -14.323 7.737 3.402 1.00 5.24 H new ATOM 754 N GLU A 52 -10.548 1.291 7.626 1.00 4.10 N ATOM 755 CA GLU A 52 -9.982 1.272 8.973 1.00 61.34 C ATOM 756 C GLU A 52 -8.483 1.525 8.941 1.00 4.13 C ATOM 757 O GLU A 52 -7.830 1.563 9.985 1.00 74.12 O ATOM 758 CB GLU A 52 -10.239 -0.078 9.655 1.00 14.11 C ATOM 759 CG GLU A 52 -11.702 -0.422 9.919 1.00 34.44 C ATOM 760 CD GLU A 52 -12.378 0.523 10.881 1.00 34.30 C ATOM 761 OE1 GLU A 52 -11.841 0.753 11.973 1.00 64.25 O ATOM 762 OE2 GLU A 52 -13.478 1.049 10.563 1.00 70.32 O ATOM 0 H GLU A 52 -10.562 0.382 7.164 1.00 4.10 H new ATOM 0 HA GLU A 52 -10.470 2.066 9.538 1.00 61.34 H new ATOM 0 HB2 GLU A 52 -9.807 -0.864 9.036 1.00 14.11 H new ATOM 0 HB3 GLU A 52 -9.705 -0.091 10.605 1.00 14.11 H new ATOM 0 HG2 GLU A 52 -12.245 -0.416 8.974 1.00 34.44 H new ATOM 0 HG3 GLU A 52 -11.763 -1.436 10.315 1.00 34.44 H new ATOM 769 N GLY A 53 -7.938 1.661 7.753 1.00 63.24 N ATOM 770 CA GLY A 53 -6.522 1.886 7.613 1.00 35.20 C ATOM 771 C GLY A 53 -5.720 0.631 7.891 1.00 40.41 C ATOM 772 O GLY A 53 -4.648 0.689 8.489 1.00 41.24 O ATOM 0 H GLY A 53 -8.454 1.620 6.874 1.00 63.24 H new ATOM 0 HA2 GLY A 53 -6.308 2.237 6.603 1.00 35.20 H new ATOM 0 HA3 GLY A 53 -6.210 2.675 8.297 1.00 35.20 H new ATOM 776 N HIS A 54 -6.260 -0.508 7.500 1.00 24.42 N ATOM 777 CA HIS A 54 -5.558 -1.778 7.663 1.00 61.43 C ATOM 778 C HIS A 54 -4.910 -2.205 6.375 1.00 43.22 C ATOM 779 O HIS A 54 -4.023 -3.046 6.373 1.00 74.20 O ATOM 780 CB HIS A 54 -6.494 -2.915 8.124 1.00 72.25 C ATOM 781 CG HIS A 54 -6.961 -2.835 9.536 1.00 71.43 C ATOM 782 ND1 HIS A 54 -8.262 -3.047 9.930 1.00 2.20 N ATOM 783 CD2 HIS A 54 -6.260 -2.634 10.666 1.00 0.00 C ATOM 784 CE1 HIS A 54 -8.314 -2.968 11.255 1.00 51.21 C ATOM 785 NE2 HIS A 54 -7.116 -2.717 11.759 1.00 64.43 N ATOM 0 H HIS A 54 -7.181 -0.585 7.067 1.00 24.42 H new ATOM 0 HA HIS A 54 -4.805 -1.605 8.431 1.00 61.43 H new ATOM 0 HB2 HIS A 54 -7.367 -2.928 7.472 1.00 72.25 H new ATOM 0 HB3 HIS A 54 -5.978 -3.865 7.985 1.00 72.25 H new ATOM 0 HD1 HIS A 54 -9.051 -3.233 9.311 1.00 2.20 H new ATOM 0 HD2 HIS A 54 -5.199 -2.439 10.717 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.212 -3.092 11.842 1.00 51.21 H new ATOM 793 N LEU A 55 -5.346 -1.627 5.288 1.00 1.44 N ATOM 794 CA LEU A 55 -4.913 -2.063 3.997 1.00 31.45 C ATOM 795 C LEU A 55 -4.998 -0.883 3.044 1.00 13.24 C ATOM 796 O LEU A 55 -5.683 0.089 3.350 1.00 24.04 O ATOM 797 CB LEU A 55 -5.839 -3.207 3.560 1.00 50.41 C ATOM 798 CG LEU A 55 -5.434 -4.030 2.349 1.00 30.11 C ATOM 799 CD1 LEU A 55 -4.078 -4.689 2.579 1.00 63.43 C ATOM 800 CD2 LEU A 55 -6.496 -5.082 2.086 1.00 25.41 C ATOM 0 H LEU A 55 -6.005 -0.848 5.276 1.00 1.44 H new ATOM 0 HA LEU A 55 -3.884 -2.423 4.007 1.00 31.45 H new ATOM 0 HB2 LEU A 55 -5.950 -3.888 4.404 1.00 50.41 H new ATOM 0 HB3 LEU A 55 -6.823 -2.783 3.361 1.00 50.41 H new ATOM 0 HG LEU A 55 -5.348 -3.376 1.481 1.00 30.11 H new ATOM 0 HD11 LEU A 55 -3.804 -5.274 1.701 1.00 63.43 H new ATOM 0 HD12 LEU A 55 -3.325 -3.920 2.752 1.00 63.43 H new ATOM 0 HD13 LEU A 55 -4.135 -5.344 3.448 1.00 63.43 H new ATOM 0 HD21 LEU A 55 -6.212 -5.677 1.218 1.00 25.41 H new ATOM 0 HD22 LEU A 55 -6.588 -5.732 2.956 1.00 25.41 H new ATOM 0 HD23 LEU A 55 -7.452 -4.594 1.895 1.00 25.41 H new ATOM 812 N VAL A 56 -4.295 -0.955 1.920 1.00 22.45 N ATOM 813 CA VAL A 56 -4.268 0.126 0.932 1.00 21.05 C ATOM 814 C VAL A 56 -4.515 -0.472 -0.448 1.00 43.10 C ATOM 815 O VAL A 56 -4.111 -1.606 -0.709 1.00 51.41 O ATOM 816 CB VAL A 56 -2.886 0.867 0.921 1.00 21.00 C ATOM 817 CG1 VAL A 56 -2.890 2.058 -0.027 1.00 62.12 C ATOM 818 CG2 VAL A 56 -2.498 1.323 2.304 1.00 23.24 C ATOM 0 H VAL A 56 -3.727 -1.762 1.664 1.00 22.45 H new ATOM 0 HA VAL A 56 -5.039 0.850 1.194 1.00 21.05 H new ATOM 0 HB VAL A 56 -2.149 0.147 0.566 1.00 21.00 H new ATOM 0 HG11 VAL A 56 -1.914 2.544 -0.005 1.00 62.12 H new ATOM 0 HG12 VAL A 56 -3.102 1.716 -1.040 1.00 62.12 H new ATOM 0 HG13 VAL A 56 -3.656 2.768 0.284 1.00 62.12 H new ATOM 0 HG21 VAL A 56 -1.536 1.833 2.262 1.00 23.24 H new ATOM 0 HG22 VAL A 56 -3.255 2.007 2.687 1.00 23.24 H new ATOM 0 HG23 VAL A 56 -2.422 0.459 2.964 1.00 23.24 H new ATOM 828 N ALA A 57 -5.161 0.278 -1.311 1.00 20.12 N ATOM 829 CA ALA A 57 -5.468 -0.160 -2.649 1.00 4.04 C ATOM 830 C ALA A 57 -5.113 0.943 -3.630 1.00 61.02 C ATOM 831 O ALA A 57 -5.144 2.112 -3.268 1.00 55.41 O ATOM 832 CB ALA A 57 -6.948 -0.496 -2.756 1.00 42.33 C ATOM 0 H ALA A 57 -5.491 1.220 -1.099 1.00 20.12 H new ATOM 0 HA ALA A 57 -4.888 -1.053 -2.883 1.00 4.04 H new ATOM 0 HB1 ALA A 57 -7.174 -0.826 -3.770 1.00 42.33 H new ATOM 0 HB2 ALA A 57 -7.192 -1.292 -2.052 1.00 42.33 H new ATOM 0 HB3 ALA A 57 -7.540 0.389 -2.523 1.00 42.33 H new ATOM 838 N VAL A 58 -4.764 0.567 -4.840 1.00 73.22 N ATOM 839 CA VAL A 58 -4.441 1.513 -5.906 1.00 22.42 C ATOM 840 C VAL A 58 -5.214 1.168 -7.155 1.00 2.01 C ATOM 841 O VAL A 58 -5.779 0.072 -7.261 1.00 43.25 O ATOM 842 CB VAL A 58 -2.923 1.614 -6.231 1.00 72.23 C ATOM 843 CG1 VAL A 58 -2.188 2.326 -5.114 1.00 42.43 C ATOM 844 CG2 VAL A 58 -2.318 0.232 -6.478 1.00 64.21 C ATOM 0 H VAL A 58 -4.693 -0.410 -5.123 1.00 73.22 H new ATOM 0 HA VAL A 58 -4.734 2.495 -5.534 1.00 22.42 H new ATOM 0 HB VAL A 58 -2.812 2.196 -7.146 1.00 72.23 H new ATOM 0 HG11 VAL A 58 -1.127 2.388 -5.358 1.00 42.43 H new ATOM 0 HG12 VAL A 58 -2.592 3.331 -4.995 1.00 42.43 H new ATOM 0 HG13 VAL A 58 -2.315 1.772 -4.184 1.00 42.43 H new ATOM 0 HG21 VAL A 58 -1.256 0.334 -6.703 1.00 64.21 H new ATOM 0 HG22 VAL A 58 -2.443 -0.384 -5.588 1.00 64.21 H new ATOM 0 HG23 VAL A 58 -2.823 -0.241 -7.320 1.00 64.21 H new ATOM 854 N ARG A 59 -5.244 2.071 -8.092 1.00 5.53 N ATOM 855 CA ARG A 59 -6.030 1.889 -9.272 1.00 5.30 C ATOM 856 C ARG A 59 -5.119 1.779 -10.490 1.00 74.30 C ATOM 857 O ARG A 59 -4.322 2.665 -10.760 1.00 52.50 O ATOM 858 CB ARG A 59 -6.991 3.067 -9.396 1.00 65.33 C ATOM 859 CG ARG A 59 -8.103 2.877 -10.396 1.00 21.00 C ATOM 860 CD ARG A 59 -9.020 4.082 -10.402 1.00 52.21 C ATOM 861 NE ARG A 59 -10.181 3.891 -11.272 1.00 60.43 N ATOM 862 CZ ARG A 59 -10.675 4.815 -12.108 1.00 11.55 C ATOM 863 NH1 ARG A 59 -10.157 6.046 -12.140 1.00 55.51 N ATOM 864 NH2 ARG A 59 -11.712 4.514 -12.887 1.00 0.02 N ATOM 0 H ARG A 59 -4.726 2.949 -8.058 1.00 5.53 H new ATOM 0 HA ARG A 59 -6.607 0.966 -9.211 1.00 5.30 H new ATOM 0 HB2 ARG A 59 -7.431 3.262 -8.418 1.00 65.33 H new ATOM 0 HB3 ARG A 59 -6.421 3.954 -9.672 1.00 65.33 H new ATOM 0 HG2 ARG A 59 -7.684 2.726 -11.391 1.00 21.00 H new ATOM 0 HG3 ARG A 59 -8.672 1.980 -10.150 1.00 21.00 H new ATOM 0 HD2 ARG A 59 -9.359 4.283 -9.386 1.00 52.21 H new ATOM 0 HD3 ARG A 59 -8.462 4.959 -10.731 1.00 52.21 H new ATOM 0 HE ARG A 59 -10.650 2.986 -11.240 1.00 60.43 H new ATOM 0 HH11 ARG A 59 -9.380 6.288 -11.525 1.00 55.51 H new ATOM 0 HH12 ARG A 59 -10.539 6.743 -12.779 1.00 55.51 H new ATOM 0 HH21 ARG A 59 -12.127 3.583 -12.846 1.00 0.02 H new ATOM 0 HH22 ARG A 59 -12.091 5.214 -13.525 1.00 0.02 H new ATOM 878 N ARG A 60 -5.253 0.685 -11.202 1.00 35.53 N ATOM 879 CA ARG A 60 -4.472 0.405 -12.399 1.00 43.10 C ATOM 880 C ARG A 60 -5.419 0.326 -13.595 1.00 1.21 C ATOM 881 O ARG A 60 -6.325 -0.515 -13.619 1.00 21.10 O ATOM 882 CB ARG A 60 -3.673 -0.927 -12.248 1.00 61.34 C ATOM 883 CG ARG A 60 -4.538 -2.148 -11.909 1.00 40.04 C ATOM 884 CD ARG A 60 -3.746 -3.451 -11.842 1.00 23.50 C ATOM 885 NE ARG A 60 -3.239 -3.879 -13.141 1.00 11.41 N ATOM 886 CZ ARG A 60 -3.073 -5.158 -13.527 1.00 72.10 C ATOM 887 NH1 ARG A 60 -3.435 -6.172 -12.721 1.00 51.31 N ATOM 888 NH2 ARG A 60 -2.572 -5.410 -14.724 1.00 13.30 N ATOM 0 H ARG A 60 -5.917 -0.053 -10.967 1.00 35.53 H new ATOM 0 HA ARG A 60 -3.748 1.206 -12.551 1.00 43.10 H new ATOM 0 HB2 ARG A 60 -3.137 -1.123 -13.177 1.00 61.34 H new ATOM 0 HB3 ARG A 60 -2.923 -0.800 -11.468 1.00 61.34 H new ATOM 0 HG2 ARG A 60 -5.030 -1.981 -10.951 1.00 40.04 H new ATOM 0 HG3 ARG A 60 -5.324 -2.247 -12.658 1.00 40.04 H new ATOM 0 HD2 ARG A 60 -2.909 -3.326 -11.155 1.00 23.50 H new ATOM 0 HD3 ARG A 60 -4.382 -4.235 -11.430 1.00 23.50 H new ATOM 0 HE ARG A 60 -2.990 -3.151 -13.811 1.00 11.41 H new ATOM 0 HH11 ARG A 60 -3.840 -5.976 -11.806 1.00 51.31 H new ATOM 0 HH12 ARG A 60 -3.304 -7.137 -13.025 1.00 51.31 H new ATOM 0 HH21 ARG A 60 -2.317 -4.640 -15.342 1.00 13.30 H new ATOM 0 HH22 ARG A 60 -2.441 -6.374 -15.029 1.00 13.30 H new ATOM 902 N ALA A 61 -5.280 1.280 -14.522 1.00 72.01 N ATOM 903 CA ALA A 61 -6.091 1.390 -15.769 1.00 11.45 C ATOM 904 C ALA A 61 -7.579 1.722 -15.506 1.00 54.54 C ATOM 905 O ALA A 61 -8.302 2.184 -16.402 1.00 73.51 O ATOM 906 CB ALA A 61 -5.951 0.135 -16.638 1.00 21.34 C ATOM 0 H ALA A 61 -4.586 2.023 -14.436 1.00 72.01 H new ATOM 0 HA ALA A 61 -5.682 2.238 -16.318 1.00 11.45 H new ATOM 0 HB1 ALA A 61 -6.554 0.247 -17.539 1.00 21.34 H new ATOM 0 HB2 ALA A 61 -4.906 -0.001 -16.916 1.00 21.34 H new ATOM 0 HB3 ALA A 61 -6.293 -0.735 -16.078 1.00 21.34 H new ATOM 912 N GLY A 62 -7.999 1.526 -14.284 1.00 24.52 N ATOM 913 CA GLY A 62 -9.352 1.729 -13.893 1.00 41.44 C ATOM 914 C GLY A 62 -9.749 0.749 -12.807 1.00 21.04 C ATOM 915 O GLY A 62 -10.688 1.000 -12.052 1.00 41.54 O ATOM 0 H GLY A 62 -7.392 1.215 -13.525 1.00 24.52 H new ATOM 0 HA2 GLY A 62 -9.483 2.750 -13.534 1.00 41.44 H new ATOM 0 HA3 GLY A 62 -10.007 1.608 -14.756 1.00 41.44 H new ATOM 919 N GLY A 63 -8.982 -0.332 -12.682 1.00 71.35 N ATOM 920 CA GLY A 63 -9.282 -1.376 -11.716 1.00 53.12 C ATOM 921 C GLY A 63 -8.608 -1.143 -10.397 1.00 53.11 C ATOM 922 O GLY A 63 -7.498 -0.617 -10.348 1.00 73.13 O ATOM 0 H GLY A 63 -8.147 -0.504 -13.241 1.00 71.35 H new ATOM 0 HA2 GLY A 63 -10.360 -1.430 -11.566 1.00 53.12 H new ATOM 0 HA3 GLY A 63 -8.968 -2.340 -12.117 1.00 53.12 H new ATOM 926 N VAL A 64 -9.262 -1.534 -9.337 1.00 60.43 N ATOM 927 CA VAL A 64 -8.757 -1.346 -7.998 1.00 33.33 C ATOM 928 C VAL A 64 -8.091 -2.632 -7.539 1.00 42.03 C ATOM 929 O VAL A 64 -8.715 -3.702 -7.538 1.00 23.31 O ATOM 930 CB VAL A 64 -9.900 -0.955 -7.014 1.00 60.40 C ATOM 931 CG1 VAL A 64 -9.369 -0.736 -5.603 1.00 53.24 C ATOM 932 CG2 VAL A 64 -10.628 0.292 -7.505 1.00 13.41 C ATOM 0 H VAL A 64 -10.170 -1.997 -9.376 1.00 60.43 H new ATOM 0 HA VAL A 64 -8.033 -0.531 -8.005 1.00 33.33 H new ATOM 0 HB VAL A 64 -10.606 -1.785 -6.982 1.00 60.40 H new ATOM 0 HG11 VAL A 64 -10.192 -0.465 -4.942 1.00 53.24 H new ATOM 0 HG12 VAL A 64 -8.902 -1.653 -5.243 1.00 53.24 H new ATOM 0 HG13 VAL A 64 -8.632 0.067 -5.612 1.00 53.24 H new ATOM 0 HG21 VAL A 64 -11.423 0.549 -6.804 1.00 13.41 H new ATOM 0 HG22 VAL A 64 -9.924 1.121 -7.575 1.00 13.41 H new ATOM 0 HG23 VAL A 64 -11.059 0.099 -8.487 1.00 13.41 H new ATOM 942 N VAL A 65 -6.834 -2.531 -7.199 1.00 12.13 N ATOM 943 CA VAL A 65 -6.036 -3.664 -6.782 1.00 43.33 C ATOM 944 C VAL A 65 -5.271 -3.370 -5.524 1.00 31.04 C ATOM 945 O VAL A 65 -5.007 -2.208 -5.184 1.00 2.30 O ATOM 946 CB VAL A 65 -5.037 -4.110 -7.871 1.00 15.32 C ATOM 947 CG1 VAL A 65 -5.751 -4.835 -8.987 1.00 13.55 C ATOM 948 CG2 VAL A 65 -4.302 -2.902 -8.423 1.00 51.00 C ATOM 0 H VAL A 65 -6.323 -1.648 -7.202 1.00 12.13 H new ATOM 0 HA VAL A 65 -6.745 -4.472 -6.600 1.00 43.33 H new ATOM 0 HB VAL A 65 -4.317 -4.794 -7.422 1.00 15.32 H new ATOM 0 HG11 VAL A 65 -5.028 -5.140 -9.744 1.00 13.55 H new ATOM 0 HG12 VAL A 65 -6.251 -5.717 -8.586 1.00 13.55 H new ATOM 0 HG13 VAL A 65 -6.490 -4.172 -9.438 1.00 13.55 H new ATOM 0 HG21 VAL A 65 -3.599 -3.224 -9.191 1.00 51.00 H new ATOM 0 HG22 VAL A 65 -5.020 -2.206 -8.857 1.00 51.00 H new ATOM 0 HG23 VAL A 65 -3.759 -2.407 -7.618 1.00 51.00 H new ATOM 958 N ILE A 66 -4.910 -4.415 -4.856 1.00 70.33 N ATOM 959 CA ILE A 66 -4.170 -4.368 -3.625 1.00 3.11 C ATOM 960 C ILE A 66 -2.945 -5.257 -3.803 1.00 42.22 C ATOM 961 O ILE A 66 -3.091 -6.394 -4.137 1.00 5.52 O ATOM 962 CB ILE A 66 -5.050 -4.927 -2.471 1.00 41.33 C ATOM 963 CG1 ILE A 66 -6.334 -4.087 -2.341 1.00 23.23 C ATOM 964 CG2 ILE A 66 -4.274 -4.948 -1.157 1.00 15.51 C ATOM 965 CD1 ILE A 66 -7.365 -4.640 -1.385 1.00 34.14 C ATOM 0 H ILE A 66 -5.128 -5.364 -5.159 1.00 70.33 H new ATOM 0 HA ILE A 66 -3.880 -3.346 -3.383 1.00 3.11 H new ATOM 0 HB ILE A 66 -5.327 -5.955 -2.706 1.00 41.33 H new ATOM 0 HG12 ILE A 66 -6.062 -3.083 -2.017 1.00 23.23 H new ATOM 0 HG13 ILE A 66 -6.789 -3.991 -3.327 1.00 23.23 H new ATOM 0 HG21 ILE A 66 -4.910 -5.343 -0.365 1.00 15.51 H new ATOM 0 HG22 ILE A 66 -3.393 -5.581 -1.265 1.00 15.51 H new ATOM 0 HG23 ILE A 66 -3.963 -3.935 -0.902 1.00 15.51 H new ATOM 0 HD11 ILE A 66 -8.232 -3.979 -1.362 1.00 34.14 H new ATOM 0 HD12 ILE A 66 -7.673 -5.632 -1.716 1.00 34.14 H new ATOM 0 HD13 ILE A 66 -6.935 -4.709 -0.386 1.00 34.14 H new ATOM 977 N PRO A 67 -1.731 -4.749 -3.641 1.00 42.15 N ATOM 978 CA PRO A 67 -0.511 -5.558 -3.822 1.00 41.32 C ATOM 979 C PRO A 67 -0.467 -6.794 -2.910 1.00 23.24 C ATOM 980 O PRO A 67 -0.704 -6.691 -1.701 1.00 2.34 O ATOM 981 CB PRO A 67 0.613 -4.593 -3.443 1.00 53.03 C ATOM 982 CG PRO A 67 0.031 -3.235 -3.617 1.00 13.35 C ATOM 983 CD PRO A 67 -1.424 -3.361 -3.274 1.00 22.34 C ATOM 0 HA PRO A 67 -0.444 -5.953 -4.836 1.00 41.32 H new ATOM 0 HB2 PRO A 67 0.941 -4.753 -2.416 1.00 53.03 H new ATOM 0 HB3 PRO A 67 1.485 -4.733 -4.081 1.00 53.03 H new ATOM 0 HG2 PRO A 67 0.524 -2.513 -2.966 1.00 13.35 H new ATOM 0 HG3 PRO A 67 0.161 -2.883 -4.640 1.00 13.35 H new ATOM 0 HD2 PRO A 67 -1.607 -3.173 -2.216 1.00 22.34 H new ATOM 0 HD3 PRO A 67 -2.033 -2.651 -3.834 1.00 22.34 H new ATOM 991 N GLN A 68 -0.137 -7.964 -3.510 1.00 32.35 N ATOM 992 CA GLN A 68 0.005 -9.253 -2.786 1.00 43.43 C ATOM 993 C GLN A 68 0.876 -9.101 -1.550 1.00 13.32 C ATOM 994 O GLN A 68 0.594 -9.662 -0.505 1.00 71.33 O ATOM 995 CB GLN A 68 0.702 -10.269 -3.690 1.00 74.21 C ATOM 996 CG GLN A 68 -0.115 -10.834 -4.833 1.00 62.43 C ATOM 997 CD GLN A 68 -1.148 -11.823 -4.403 1.00 62.11 C ATOM 998 OE1 GLN A 68 -0.980 -12.504 -3.412 1.00 62.43 O ATOM 999 NE2 GLN A 68 -2.194 -11.937 -5.164 1.00 75.34 N ATOM 0 H GLN A 68 0.039 -8.041 -4.512 1.00 32.35 H new ATOM 0 HA GLN A 68 -0.996 -9.578 -2.501 1.00 43.43 H new ATOM 0 HB2 GLN A 68 1.592 -9.799 -4.108 1.00 74.21 H new ATOM 0 HB3 GLN A 68 1.041 -11.099 -3.071 1.00 74.21 H new ATOM 0 HG2 GLN A 68 -0.606 -10.014 -5.357 1.00 62.43 H new ATOM 0 HG3 GLN A 68 0.557 -11.311 -5.547 1.00 62.43 H new ATOM 0 HE21 GLN A 68 -2.293 -11.343 -5.987 1.00 75.34 H new ATOM 0 HE22 GLN A 68 -2.917 -12.621 -4.938 1.00 75.34 H new ATOM 1008 N VAL A 69 1.902 -8.303 -1.701 1.00 51.52 N ATOM 1009 CA VAL A 69 2.939 -8.094 -0.704 1.00 41.45 C ATOM 1010 C VAL A 69 2.455 -7.409 0.593 1.00 41.44 C ATOM 1011 O VAL A 69 3.197 -7.363 1.570 1.00 51.52 O ATOM 1012 CB VAL A 69 4.116 -7.314 -1.308 1.00 45.21 C ATOM 1013 CG1 VAL A 69 4.773 -8.122 -2.423 1.00 13.25 C ATOM 1014 CG2 VAL A 69 3.652 -5.957 -1.831 1.00 24.25 C ATOM 0 H VAL A 69 2.050 -7.758 -2.550 1.00 51.52 H new ATOM 0 HA VAL A 69 3.261 -9.092 -0.408 1.00 41.45 H new ATOM 0 HB VAL A 69 4.854 -7.143 -0.524 1.00 45.21 H new ATOM 0 HG11 VAL A 69 5.605 -7.556 -2.841 1.00 13.25 H new ATOM 0 HG12 VAL A 69 5.142 -9.065 -2.020 1.00 13.25 H new ATOM 0 HG13 VAL A 69 4.042 -8.323 -3.206 1.00 13.25 H new ATOM 0 HG21 VAL A 69 4.501 -5.421 -2.255 1.00 24.25 H new ATOM 0 HG22 VAL A 69 2.895 -6.103 -2.601 1.00 24.25 H new ATOM 0 HG23 VAL A 69 3.229 -5.377 -1.011 1.00 24.25 H new ATOM 1024 N PHE A 70 1.232 -6.879 0.594 1.00 11.05 N ATOM 1025 CA PHE A 70 0.659 -6.288 1.810 1.00 5.43 C ATOM 1026 C PHE A 70 0.168 -7.384 2.750 1.00 53.20 C ATOM 1027 O PHE A 70 -0.133 -7.145 3.927 1.00 24.41 O ATOM 1028 CB PHE A 70 -0.463 -5.280 1.480 1.00 62.22 C ATOM 1029 CG PHE A 70 0.027 -3.868 1.208 1.00 15.23 C ATOM 1030 CD1 PHE A 70 0.912 -3.597 0.183 1.00 43.45 C ATOM 1031 CD2 PHE A 70 -0.388 -2.816 2.015 1.00 61.42 C ATOM 1032 CE1 PHE A 70 1.367 -2.308 -0.037 1.00 21.45 C ATOM 1033 CE2 PHE A 70 0.063 -1.531 1.804 1.00 4.32 C ATOM 1034 CZ PHE A 70 0.939 -1.273 0.778 1.00 33.42 C ATOM 0 H PHE A 70 0.622 -6.845 -0.223 1.00 11.05 H new ATOM 0 HA PHE A 70 1.445 -5.729 2.318 1.00 5.43 H new ATOM 0 HB2 PHE A 70 -1.011 -5.636 0.608 1.00 62.22 H new ATOM 0 HB3 PHE A 70 -1.168 -5.254 2.311 1.00 62.22 H new ATOM 0 HD1 PHE A 70 1.253 -4.400 -0.454 1.00 43.45 H new ATOM 0 HD2 PHE A 70 -1.078 -3.009 2.824 1.00 61.42 H new ATOM 0 HE1 PHE A 70 2.056 -2.109 -0.845 1.00 21.45 H new ATOM 0 HE2 PHE A 70 -0.272 -0.728 2.444 1.00 4.32 H new ATOM 0 HZ PHE A 70 1.293 -0.267 0.607 1.00 33.42 H new ATOM 1044 N PHE A 71 0.095 -8.580 2.219 1.00 42.22 N ATOM 1045 CA PHE A 71 -0.269 -9.739 2.977 1.00 44.41 C ATOM 1046 C PHE A 71 0.948 -10.616 3.106 1.00 21.03 C ATOM 1047 O PHE A 71 1.759 -10.694 2.182 1.00 40.31 O ATOM 1048 CB PHE A 71 -1.402 -10.518 2.303 1.00 53.31 C ATOM 1049 CG PHE A 71 -2.706 -9.782 2.244 1.00 10.11 C ATOM 1050 CD1 PHE A 71 -3.610 -9.874 3.288 1.00 44.21 C ATOM 1051 CD2 PHE A 71 -3.037 -9.011 1.143 1.00 14.24 C ATOM 1052 CE1 PHE A 71 -4.815 -9.208 3.238 1.00 74.31 C ATOM 1053 CE2 PHE A 71 -4.243 -8.344 1.086 1.00 4.14 C ATOM 1054 CZ PHE A 71 -5.133 -8.445 2.135 1.00 51.33 C ATOM 0 H PHE A 71 0.290 -8.772 1.236 1.00 42.22 H new ATOM 0 HA PHE A 71 -0.627 -9.426 3.958 1.00 44.41 H new ATOM 0 HB2 PHE A 71 -1.097 -10.775 1.289 1.00 53.31 H new ATOM 0 HB3 PHE A 71 -1.551 -11.456 2.838 1.00 53.31 H new ATOM 0 HD1 PHE A 71 -3.368 -10.475 4.152 1.00 44.21 H new ATOM 0 HD2 PHE A 71 -2.343 -8.931 0.319 1.00 14.24 H new ATOM 0 HE1 PHE A 71 -5.509 -9.284 4.062 1.00 74.31 H new ATOM 0 HE2 PHE A 71 -4.490 -7.744 0.222 1.00 4.14 H new ATOM 0 HZ PHE A 71 -6.079 -7.926 2.092 1.00 51.33 H new ATOM 1064 N THR A 72 1.076 -11.269 4.221 1.00 71.20 N ATOM 1065 CA THR A 72 2.193 -12.128 4.503 1.00 41.31 C ATOM 1066 C THR A 72 2.061 -13.450 3.731 1.00 73.33 C ATOM 1067 O THR A 72 1.039 -13.704 3.074 1.00 25.12 O ATOM 1068 CB THR A 72 2.238 -12.419 6.017 1.00 33.15 C ATOM 1069 OG1 THR A 72 0.948 -12.904 6.430 1.00 52.33 O ATOM 1070 CG2 THR A 72 2.587 -11.161 6.812 1.00 4.11 C ATOM 0 H THR A 72 0.394 -11.221 4.978 1.00 71.20 H new ATOM 0 HA THR A 72 3.112 -11.631 4.191 1.00 41.31 H new ATOM 0 HB THR A 72 3.009 -13.165 6.210 1.00 33.15 H new ATOM 0 HG1 THR A 72 0.987 -13.876 6.549 1.00 52.33 H new ATOM 0 HG21 THR A 72 2.611 -11.398 7.876 1.00 4.11 H new ATOM 0 HG22 THR A 72 3.564 -10.793 6.500 1.00 4.11 H new ATOM 0 HG23 THR A 72 1.835 -10.394 6.628 1.00 4.11 H new ATOM 1078 N ASN A 73 3.074 -14.298 3.832 1.00 33.25 N ATOM 1079 CA ASN A 73 3.083 -15.619 3.178 1.00 71.13 C ATOM 1080 C ASN A 73 1.993 -16.516 3.795 1.00 64.04 C ATOM 1081 O ASN A 73 1.588 -17.542 3.234 1.00 33.32 O ATOM 1082 CB ASN A 73 4.463 -16.258 3.356 1.00 14.11 C ATOM 1083 CG ASN A 73 4.662 -17.540 2.568 1.00 42.22 C ATOM 1084 OD1 ASN A 73 4.085 -17.733 1.503 1.00 63.31 O ATOM 1085 ND2 ASN A 73 5.491 -18.417 3.077 1.00 14.24 N ATOM 0 H ASN A 73 3.919 -14.099 4.368 1.00 33.25 H new ATOM 0 HA ASN A 73 2.875 -15.504 2.114 1.00 71.13 H new ATOM 0 HB2 ASN A 73 5.225 -15.539 3.056 1.00 14.11 H new ATOM 0 HB3 ASN A 73 4.620 -16.467 4.414 1.00 14.11 H new ATOM 0 HD21 ASN A 73 5.673 -19.292 2.585 1.00 14.24 H new ATOM 0 HD22 ASN A 73 5.955 -18.225 3.965 1.00 14.24 H new ATOM 1092 N SER A 74 1.531 -16.118 4.953 1.00 72.12 N ATOM 1093 CA SER A 74 0.478 -16.789 5.646 1.00 41.12 C ATOM 1094 C SER A 74 -0.904 -16.228 5.255 1.00 13.45 C ATOM 1095 O SER A 74 -1.927 -16.705 5.737 1.00 12.02 O ATOM 1096 CB SER A 74 0.737 -16.670 7.139 1.00 11.20 C ATOM 1097 OG SER A 74 1.133 -15.341 7.464 1.00 21.13 O ATOM 0 H SER A 74 1.889 -15.300 5.445 1.00 72.12 H new ATOM 0 HA SER A 74 0.465 -17.842 5.365 1.00 41.12 H new ATOM 0 HB2 SER A 74 -0.163 -16.935 7.694 1.00 11.20 H new ATOM 0 HB3 SER A 74 1.515 -17.373 7.438 1.00 11.20 H new ATOM 0 HG SER A 74 1.296 -15.275 8.428 1.00 21.13 H new ATOM 1103 N GLY A 75 -0.923 -15.227 4.369 1.00 25.34 N ATOM 1104 CA GLY A 75 -2.169 -14.649 3.906 1.00 43.11 C ATOM 1105 C GLY A 75 -2.821 -13.763 4.941 1.00 32.05 C ATOM 1106 O GLY A 75 -4.044 -13.600 4.947 1.00 1.05 O ATOM 0 H GLY A 75 -0.086 -14.807 3.964 1.00 25.34 H new ATOM 0 HA2 GLY A 75 -1.982 -14.068 3.003 1.00 43.11 H new ATOM 0 HA3 GLY A 75 -2.857 -15.449 3.634 1.00 43.11 H new ATOM 1110 N GLN A 76 -2.022 -13.207 5.812 1.00 31.55 N ATOM 1111 CA GLN A 76 -2.516 -12.339 6.863 1.00 43.13 C ATOM 1112 C GLN A 76 -1.988 -10.934 6.600 1.00 72.41 C ATOM 1113 O GLN A 76 -1.009 -10.777 5.882 1.00 13.13 O ATOM 1114 CB GLN A 76 -2.001 -12.845 8.224 1.00 62.32 C ATOM 1115 CG GLN A 76 -2.611 -12.153 9.437 1.00 35.32 C ATOM 1116 CD GLN A 76 -1.935 -12.539 10.732 1.00 63.23 C ATOM 1117 OE1 GLN A 76 -0.732 -12.824 10.764 1.00 20.05 O ATOM 1118 NE2 GLN A 76 -2.687 -12.568 11.804 1.00 75.22 N ATOM 0 H GLN A 76 -1.011 -13.339 5.818 1.00 31.55 H new ATOM 0 HA GLN A 76 -3.606 -12.334 6.878 1.00 43.13 H new ATOM 0 HB2 GLN A 76 -2.199 -13.915 8.296 1.00 62.32 H new ATOM 0 HB3 GLN A 76 -0.919 -12.718 8.257 1.00 62.32 H new ATOM 0 HG2 GLN A 76 -2.544 -11.073 9.305 1.00 35.32 H new ATOM 0 HG3 GLN A 76 -3.670 -12.402 9.497 1.00 35.32 H new ATOM 0 HE21 GLN A 76 -3.676 -12.327 11.740 1.00 75.22 H new ATOM 0 HE22 GLN A 76 -2.284 -12.832 12.703 1.00 75.22 H new ATOM 1127 N VAL A 77 -2.635 -9.930 7.129 1.00 24.42 N ATOM 1128 CA VAL A 77 -2.133 -8.576 7.007 1.00 14.34 C ATOM 1129 C VAL A 77 -0.921 -8.432 7.937 1.00 72.43 C ATOM 1130 O VAL A 77 -0.893 -9.030 9.031 1.00 51.11 O ATOM 1131 CB VAL A 77 -3.225 -7.516 7.380 1.00 70.32 C ATOM 1132 CG1 VAL A 77 -2.692 -6.089 7.250 1.00 74.23 C ATOM 1133 CG2 VAL A 77 -4.460 -7.682 6.507 1.00 71.32 C ATOM 0 H VAL A 77 -3.509 -10.017 7.648 1.00 24.42 H new ATOM 0 HA VAL A 77 -1.850 -8.393 5.970 1.00 14.34 H new ATOM 0 HB VAL A 77 -3.497 -7.688 8.422 1.00 70.32 H new ATOM 0 HG11 VAL A 77 -3.477 -5.382 7.517 1.00 74.23 H new ATOM 0 HG12 VAL A 77 -1.841 -5.956 7.918 1.00 74.23 H new ATOM 0 HG13 VAL A 77 -2.377 -5.911 6.222 1.00 74.23 H new ATOM 0 HG21 VAL A 77 -5.204 -6.936 6.784 1.00 71.32 H new ATOM 0 HG22 VAL A 77 -4.186 -7.550 5.460 1.00 71.32 H new ATOM 0 HG23 VAL A 77 -4.876 -8.679 6.650 1.00 71.32 H new ATOM 1143 N VAL A 78 0.094 -7.724 7.488 1.00 72.35 N ATOM 1144 CA VAL A 78 1.273 -7.473 8.302 1.00 11.21 C ATOM 1145 C VAL A 78 0.856 -6.632 9.519 1.00 51.23 C ATOM 1146 O VAL A 78 0.225 -5.595 9.363 1.00 24.44 O ATOM 1147 CB VAL A 78 2.351 -6.715 7.497 1.00 0.54 C ATOM 1148 CG1 VAL A 78 3.626 -6.511 8.302 1.00 30.34 C ATOM 1149 CG2 VAL A 78 2.650 -7.408 6.179 1.00 4.34 C ATOM 0 H VAL A 78 0.129 -7.308 6.557 1.00 72.35 H new ATOM 0 HA VAL A 78 1.696 -8.426 8.620 1.00 11.21 H new ATOM 0 HB VAL A 78 1.943 -5.729 7.276 1.00 0.54 H new ATOM 0 HG11 VAL A 78 4.356 -5.974 7.697 1.00 30.34 H new ATOM 0 HG12 VAL A 78 3.402 -5.933 9.198 1.00 30.34 H new ATOM 0 HG13 VAL A 78 4.034 -7.480 8.588 1.00 30.34 H new ATOM 0 HG21 VAL A 78 3.413 -6.848 5.638 1.00 4.34 H new ATOM 0 HG22 VAL A 78 3.011 -8.418 6.373 1.00 4.34 H new ATOM 0 HG23 VAL A 78 1.741 -7.456 5.579 1.00 4.34 H new ATOM 1159 N LYS A 79 1.227 -7.073 10.703 1.00 43.53 N ATOM 1160 CA LYS A 79 0.786 -6.453 11.963 1.00 35.44 C ATOM 1161 C LYS A 79 1.161 -4.961 12.074 1.00 42.01 C ATOM 1162 O LYS A 79 0.331 -4.130 12.460 1.00 13.45 O ATOM 1163 CB LYS A 79 1.351 -7.233 13.158 1.00 40.22 C ATOM 1164 CG LYS A 79 0.968 -6.675 14.526 1.00 45.10 C ATOM 1165 CD LYS A 79 1.642 -7.443 15.659 1.00 13.44 C ATOM 1166 CE LYS A 79 3.162 -7.303 15.619 1.00 74.43 C ATOM 1167 NZ LYS A 79 3.821 -8.069 16.692 1.00 4.31 N ATOM 0 H LYS A 79 1.845 -7.874 10.833 1.00 43.53 H new ATOM 0 HA LYS A 79 -0.303 -6.498 11.970 1.00 35.44 H new ATOM 0 HB2 LYS A 79 1.009 -8.266 13.094 1.00 40.22 H new ATOM 0 HB3 LYS A 79 2.438 -7.252 13.080 1.00 40.22 H new ATOM 0 HG2 LYS A 79 1.250 -5.623 14.582 1.00 45.10 H new ATOM 0 HG3 LYS A 79 -0.114 -6.722 14.648 1.00 45.10 H new ATOM 0 HD2 LYS A 79 1.269 -7.078 16.616 1.00 13.44 H new ATOM 0 HD3 LYS A 79 1.373 -8.497 15.593 1.00 13.44 H new ATOM 0 HE2 LYS A 79 3.531 -7.645 14.652 1.00 74.43 H new ATOM 0 HE3 LYS A 79 3.431 -6.250 15.709 1.00 74.43 H new ATOM 0 HZ1 LYS A 79 4.851 -7.944 16.625 1.00 4.31 H new ATOM 0 HZ2 LYS A 79 3.490 -7.727 17.617 1.00 4.31 H new ATOM 0 HZ3 LYS A 79 3.587 -9.078 16.592 1.00 4.31 H new ATOM 1181 N SER A 80 2.367 -4.623 11.706 1.00 51.04 N ATOM 1182 CA SER A 80 2.830 -3.257 11.832 1.00 61.21 C ATOM 1183 C SER A 80 2.523 -2.439 10.567 1.00 33.52 C ATOM 1184 O SER A 80 2.859 -1.247 10.489 1.00 0.45 O ATOM 1185 CB SER A 80 4.340 -3.222 12.182 1.00 1.45 C ATOM 1186 OG SER A 80 4.788 -1.892 12.470 1.00 1.23 O ATOM 0 H SER A 80 3.051 -5.271 11.316 1.00 51.04 H new ATOM 0 HA SER A 80 2.285 -2.791 12.653 1.00 61.21 H new ATOM 0 HB2 SER A 80 4.529 -3.864 13.043 1.00 1.45 H new ATOM 0 HB3 SER A 80 4.916 -3.627 11.350 1.00 1.45 H new ATOM 0 HG SER A 80 4.266 -1.250 11.945 1.00 1.23 H new ATOM 1192 N LEU A 81 1.873 -3.059 9.592 1.00 34.32 N ATOM 1193 CA LEU A 81 1.507 -2.371 8.364 1.00 43.24 C ATOM 1194 C LEU A 81 0.462 -1.255 8.627 1.00 22.33 C ATOM 1195 O LEU A 81 0.678 -0.117 8.222 1.00 23.24 O ATOM 1196 CB LEU A 81 1.135 -3.378 7.258 1.00 53.11 C ATOM 1197 CG LEU A 81 0.779 -2.871 5.856 1.00 31.12 C ATOM 1198 CD1 LEU A 81 0.930 -4.020 4.885 1.00 50.51 C ATOM 1199 CD2 LEU A 81 -0.658 -2.360 5.791 1.00 73.03 C ATOM 0 H LEU A 81 1.589 -4.038 9.629 1.00 34.32 H new ATOM 0 HA LEU A 81 2.375 -1.838 7.976 1.00 43.24 H new ATOM 0 HB2 LEU A 81 1.972 -4.068 7.152 1.00 53.11 H new ATOM 0 HB3 LEU A 81 0.286 -3.959 7.619 1.00 53.11 H new ATOM 0 HG LEU A 81 1.445 -2.045 5.605 1.00 31.12 H new ATOM 0 HD11 LEU A 81 0.681 -3.681 3.879 1.00 50.51 H new ATOM 0 HD12 LEU A 81 1.959 -4.379 4.903 1.00 50.51 H new ATOM 0 HD13 LEU A 81 0.259 -4.829 5.172 1.00 50.51 H new ATOM 0 HD21 LEU A 81 -0.874 -2.009 4.782 1.00 73.03 H new ATOM 0 HD22 LEU A 81 -1.343 -3.167 6.049 1.00 73.03 H new ATOM 0 HD23 LEU A 81 -0.784 -1.538 6.496 1.00 73.03 H new ATOM 1211 N PRO A 82 -0.678 -1.535 9.353 1.00 12.51 N ATOM 1212 CA PRO A 82 -1.621 -0.472 9.745 1.00 41.14 C ATOM 1213 C PRO A 82 -0.916 0.579 10.613 1.00 34.25 C ATOM 1214 O PRO A 82 -1.314 1.741 10.663 1.00 12.53 O ATOM 1215 CB PRO A 82 -2.680 -1.210 10.574 1.00 21.14 C ATOM 1216 CG PRO A 82 -2.606 -2.619 10.106 1.00 44.15 C ATOM 1217 CD PRO A 82 -1.172 -2.867 9.775 1.00 60.33 C ATOM 0 HA PRO A 82 -2.038 0.056 8.888 1.00 41.14 H new ATOM 0 HB2 PRO A 82 -2.471 -1.135 11.641 1.00 21.14 H new ATOM 0 HB3 PRO A 82 -3.673 -0.790 10.413 1.00 21.14 H new ATOM 0 HG2 PRO A 82 -2.953 -3.306 10.878 1.00 44.15 H new ATOM 0 HG3 PRO A 82 -3.240 -2.774 9.233 1.00 44.15 H new ATOM 0 HD2 PRO A 82 -0.621 -3.245 10.636 1.00 60.33 H new ATOM 0 HD3 PRO A 82 -1.066 -3.605 8.980 1.00 60.33 H new ATOM 1225 N GLY A 83 0.160 0.149 11.267 1.00 35.02 N ATOM 1226 CA GLY A 83 0.966 1.024 12.086 1.00 54.41 C ATOM 1227 C GLY A 83 1.693 2.060 11.248 1.00 42.42 C ATOM 1228 O GLY A 83 1.731 3.242 11.610 1.00 72.23 O ATOM 0 H GLY A 83 0.490 -0.816 11.239 1.00 35.02 H new ATOM 0 HA2 GLY A 83 0.332 1.526 12.817 1.00 54.41 H new ATOM 0 HA3 GLY A 83 1.691 0.434 12.646 1.00 54.41 H new ATOM 1232 N LEU A 84 2.255 1.632 10.111 1.00 62.23 N ATOM 1233 CA LEU A 84 2.938 2.558 9.212 1.00 4.12 C ATOM 1234 C LEU A 84 1.901 3.506 8.638 1.00 4.02 C ATOM 1235 O LEU A 84 2.125 4.702 8.514 1.00 5.02 O ATOM 1236 CB LEU A 84 3.761 1.820 8.090 1.00 11.34 C ATOM 1237 CG LEU A 84 3.000 1.221 6.880 1.00 50.23 C ATOM 1238 CD1 LEU A 84 2.773 2.265 5.777 1.00 30.12 C ATOM 1239 CD2 LEU A 84 3.707 -0.007 6.324 1.00 62.43 C ATOM 0 H LEU A 84 2.249 0.661 9.798 1.00 62.23 H new ATOM 0 HA LEU A 84 3.681 3.124 9.774 1.00 4.12 H new ATOM 0 HB2 LEU A 84 4.496 2.525 7.702 1.00 11.34 H new ATOM 0 HB3 LEU A 84 4.315 1.011 8.565 1.00 11.34 H new ATOM 0 HG LEU A 84 2.023 0.907 7.246 1.00 50.23 H new ATOM 0 HD11 LEU A 84 2.237 1.806 4.946 1.00 30.12 H new ATOM 0 HD12 LEU A 84 2.186 3.093 6.175 1.00 30.12 H new ATOM 0 HD13 LEU A 84 3.735 2.638 5.426 1.00 30.12 H new ATOM 0 HD21 LEU A 84 3.144 -0.399 5.477 1.00 62.43 H new ATOM 0 HD22 LEU A 84 4.710 0.267 5.997 1.00 62.43 H new ATOM 0 HD23 LEU A 84 3.774 -0.770 7.099 1.00 62.43 H new ATOM 1251 N LEU A 85 0.743 2.956 8.322 1.00 51.14 N ATOM 1252 CA LEU A 85 -0.348 3.731 7.789 1.00 2.24 C ATOM 1253 C LEU A 85 -0.788 4.786 8.781 1.00 33.13 C ATOM 1254 O LEU A 85 -1.106 5.879 8.395 1.00 34.42 O ATOM 1255 CB LEU A 85 -1.520 2.836 7.391 1.00 11.15 C ATOM 1256 CG LEU A 85 -1.226 1.784 6.318 1.00 55.11 C ATOM 1257 CD1 LEU A 85 -2.460 0.956 6.041 1.00 1.30 C ATOM 1258 CD2 LEU A 85 -0.728 2.441 5.040 1.00 72.31 C ATOM 0 H LEU A 85 0.539 1.962 8.429 1.00 51.14 H new ATOM 0 HA LEU A 85 0.006 4.233 6.889 1.00 2.24 H new ATOM 0 HB2 LEU A 85 -1.881 2.325 8.284 1.00 11.15 H new ATOM 0 HB3 LEU A 85 -2.332 3.471 7.037 1.00 11.15 H new ATOM 0 HG LEU A 85 -0.441 1.125 6.690 1.00 55.11 H new ATOM 0 HD11 LEU A 85 -2.235 0.213 5.276 1.00 1.30 H new ATOM 0 HD12 LEU A 85 -2.773 0.452 6.956 1.00 1.30 H new ATOM 0 HD13 LEU A 85 -3.263 1.605 5.691 1.00 1.30 H new ATOM 0 HD21 LEU A 85 -0.526 1.675 4.292 1.00 72.31 H new ATOM 0 HD22 LEU A 85 -1.488 3.125 4.662 1.00 72.31 H new ATOM 0 HD23 LEU A 85 0.187 2.995 5.249 1.00 72.31 H new ATOM 1270 N THR A 86 -0.739 4.451 10.058 1.00 52.23 N ATOM 1271 CA THR A 86 -1.119 5.385 11.119 1.00 62.14 C ATOM 1272 C THR A 86 -0.243 6.661 11.084 1.00 61.53 C ATOM 1273 O THR A 86 -0.759 7.786 11.033 1.00 52.14 O ATOM 1274 CB THR A 86 -0.989 4.712 12.518 1.00 45.24 C ATOM 1275 OG1 THR A 86 -1.814 3.533 12.583 1.00 1.31 O ATOM 1276 CG2 THR A 86 -1.381 5.671 13.639 1.00 72.12 C ATOM 0 H THR A 86 -0.439 3.536 10.393 1.00 52.23 H new ATOM 0 HA THR A 86 -2.158 5.666 10.947 1.00 62.14 H new ATOM 0 HB THR A 86 0.056 4.435 12.654 1.00 45.24 H new ATOM 0 HG1 THR A 86 -1.483 2.867 11.945 1.00 1.31 H new ATOM 0 HG21 THR A 86 -1.278 5.168 14.601 1.00 72.12 H new ATOM 0 HG22 THR A 86 -0.730 6.545 13.615 1.00 72.12 H new ATOM 0 HG23 THR A 86 -2.416 5.986 13.503 1.00 72.12 H new ATOM 1284 N ILE A 87 1.065 6.472 11.052 1.00 14.35 N ATOM 1285 CA ILE A 87 2.000 7.583 11.054 1.00 1.23 C ATOM 1286 C ILE A 87 1.934 8.378 9.727 1.00 61.13 C ATOM 1287 O ILE A 87 1.893 9.610 9.730 1.00 12.24 O ATOM 1288 CB ILE A 87 3.459 7.114 11.503 1.00 45.21 C ATOM 1289 CG1 ILE A 87 4.536 8.240 11.511 1.00 72.44 C ATOM 1290 CG2 ILE A 87 3.942 5.894 10.732 1.00 55.04 C ATOM 1291 CD1 ILE A 87 5.118 8.611 10.161 1.00 30.14 C ATOM 0 H ILE A 87 1.506 5.552 11.024 1.00 14.35 H new ATOM 0 HA ILE A 87 1.700 8.303 11.816 1.00 1.23 H new ATOM 0 HB ILE A 87 3.332 6.828 12.547 1.00 45.21 H new ATOM 0 HG12 ILE A 87 4.096 9.134 11.953 1.00 72.44 H new ATOM 0 HG13 ILE A 87 5.352 7.931 12.164 1.00 72.44 H new ATOM 0 HG21 ILE A 87 4.938 5.617 11.076 1.00 55.04 H new ATOM 0 HG22 ILE A 87 3.257 5.063 10.899 1.00 55.04 H new ATOM 0 HG23 ILE A 87 3.977 6.127 9.668 1.00 55.04 H new ATOM 0 HD11 ILE A 87 5.856 9.403 10.288 1.00 30.14 H new ATOM 0 HD12 ILE A 87 5.597 7.737 9.719 1.00 30.14 H new ATOM 0 HD13 ILE A 87 4.321 8.959 9.504 1.00 30.14 H new ATOM 1303 N LEU A 88 1.864 7.673 8.607 1.00 31.40 N ATOM 1304 CA LEU A 88 1.741 8.321 7.299 1.00 63.25 C ATOM 1305 C LEU A 88 0.401 9.042 7.136 1.00 62.23 C ATOM 1306 O LEU A 88 0.331 10.080 6.484 1.00 61.24 O ATOM 1307 CB LEU A 88 1.982 7.361 6.128 1.00 64.05 C ATOM 1308 CG LEU A 88 3.446 7.022 5.743 1.00 61.32 C ATOM 1309 CD1 LEU A 88 4.229 8.257 5.354 1.00 1.05 C ATOM 1310 CD2 LEU A 88 4.162 6.284 6.830 1.00 21.21 C ATOM 0 H LEU A 88 1.890 6.654 8.572 1.00 31.40 H new ATOM 0 HA LEU A 88 2.534 9.068 7.271 1.00 63.25 H new ATOM 0 HB2 LEU A 88 1.473 6.424 6.356 1.00 64.05 H new ATOM 0 HB3 LEU A 88 1.496 7.782 5.248 1.00 64.05 H new ATOM 0 HG LEU A 88 3.383 6.367 4.874 1.00 61.32 H new ATOM 0 HD11 LEU A 88 5.248 7.974 5.092 1.00 1.05 H new ATOM 0 HD12 LEU A 88 3.753 8.734 4.497 1.00 1.05 H new ATOM 0 HD13 LEU A 88 4.250 8.954 6.192 1.00 1.05 H new ATOM 0 HD21 LEU A 88 5.183 6.069 6.513 1.00 21.21 H new ATOM 0 HD22 LEU A 88 4.183 6.896 7.732 1.00 21.21 H new ATOM 0 HD23 LEU A 88 3.643 5.349 7.038 1.00 21.21 H new ATOM 1322 N HIS A 89 -0.653 8.477 7.706 1.00 51.43 N ATOM 1323 CA HIS A 89 -1.990 9.079 7.660 1.00 21.14 C ATOM 1324 C HIS A 89 -1.975 10.400 8.411 1.00 54.41 C ATOM 1325 O HIS A 89 -2.542 11.397 7.957 1.00 22.14 O ATOM 1326 CB HIS A 89 -3.045 8.127 8.270 1.00 44.23 C ATOM 1327 CG HIS A 89 -4.460 8.613 8.182 1.00 32.11 C ATOM 1328 ND1 HIS A 89 -5.184 9.080 9.253 1.00 44.20 N ATOM 1329 CD2 HIS A 89 -5.284 8.696 7.111 1.00 44.21 C ATOM 1330 CE1 HIS A 89 -6.388 9.429 8.813 1.00 74.34 C ATOM 1331 NE2 HIS A 89 -6.505 9.218 7.511 1.00 74.13 N ATOM 0 H HIS A 89 -0.613 7.593 8.213 1.00 51.43 H new ATOM 0 HA HIS A 89 -2.260 9.256 6.619 1.00 21.14 H new ATOM 0 HB2 HIS A 89 -2.976 7.162 7.768 1.00 44.23 H new ATOM 0 HB3 HIS A 89 -2.798 7.959 9.318 1.00 44.23 H new ATOM 0 HD2 HIS A 89 -5.030 8.402 6.103 1.00 44.21 H new ATOM 0 HE1 HIS A 89 -7.171 9.833 9.437 1.00 74.34 H new ATOM 0 HE2 HIS A 89 -7.320 9.401 6.926 1.00 74.13 H new ATOM 1339 N ASP A 90 -1.289 10.409 9.537 1.00 74.33 N ATOM 1340 CA ASP A 90 -1.157 11.618 10.342 1.00 34.24 C ATOM 1341 C ASP A 90 -0.285 12.640 9.614 1.00 22.32 C ATOM 1342 O ASP A 90 -0.478 13.848 9.739 1.00 15.54 O ATOM 1343 CB ASP A 90 -0.595 11.298 11.729 1.00 4.44 C ATOM 1344 CG ASP A 90 -0.459 12.523 12.612 1.00 45.01 C ATOM 1345 OD1 ASP A 90 -1.484 13.007 13.157 1.00 13.33 O ATOM 1346 OD2 ASP A 90 0.674 13.016 12.790 1.00 64.33 O ATOM 0 H ASP A 90 -0.812 9.593 9.920 1.00 74.33 H new ATOM 0 HA ASP A 90 -2.148 12.050 10.485 1.00 34.24 H new ATOM 0 HB2 ASP A 90 -1.245 10.574 12.220 1.00 4.44 H new ATOM 0 HB3 ASP A 90 0.382 10.826 11.619 1.00 4.44 H new ATOM 1351 N GLY A 91 0.644 12.134 8.819 1.00 33.43 N ATOM 1352 CA GLY A 91 1.499 12.979 8.007 1.00 41.23 C ATOM 1353 C GLY A 91 0.821 13.415 6.710 1.00 4.24 C ATOM 1354 O GLY A 91 1.378 14.202 5.950 1.00 64.32 O ATOM 0 H GLY A 91 0.824 11.135 8.720 1.00 33.43 H new ATOM 0 HA2 GLY A 91 1.783 13.862 8.580 1.00 41.23 H new ATOM 0 HA3 GLY A 91 2.418 12.442 7.771 1.00 41.23 H new ATOM 1358 N GLY A 92 -0.365 12.870 6.452 1.00 1.41 N ATOM 1359 CA GLY A 92 -1.153 13.243 5.291 1.00 2.15 C ATOM 1360 C GLY A 92 -0.652 12.644 3.984 1.00 55.41 C ATOM 1361 O GLY A 92 -0.823 13.241 2.913 1.00 70.12 O ATOM 0 H GLY A 92 -0.801 12.161 7.042 1.00 1.41 H new ATOM 0 HA2 GLY A 92 -2.185 12.931 5.450 1.00 2.15 H new ATOM 0 HA3 GLY A 92 -1.159 14.329 5.202 1.00 2.15 H new ATOM 1365 N TYR A 93 -0.054 11.484 4.046 1.00 71.13 N ATOM 1366 CA TYR A 93 0.451 10.845 2.851 1.00 0.11 C ATOM 1367 C TYR A 93 -0.576 9.932 2.216 1.00 14.41 C ATOM 1368 O TYR A 93 -1.188 9.102 2.882 1.00 53.22 O ATOM 1369 CB TYR A 93 1.766 10.127 3.108 1.00 62.21 C ATOM 1370 CG TYR A 93 2.915 11.080 3.334 1.00 22.33 C ATOM 1371 CD1 TYR A 93 3.664 11.543 2.265 1.00 74.13 C ATOM 1372 CD2 TYR A 93 3.250 11.523 4.606 1.00 75.44 C ATOM 1373 CE1 TYR A 93 4.706 12.415 2.450 1.00 13.33 C ATOM 1374 CE2 TYR A 93 4.296 12.399 4.799 1.00 22.13 C ATOM 1375 CZ TYR A 93 5.022 12.839 3.717 1.00 54.23 C ATOM 1376 OH TYR A 93 6.069 13.710 3.899 1.00 12.23 O ATOM 0 H TYR A 93 0.097 10.960 4.908 1.00 71.13 H new ATOM 0 HA TYR A 93 0.654 11.637 2.131 1.00 0.11 H new ATOM 0 HB2 TYR A 93 1.658 9.481 3.979 1.00 62.21 H new ATOM 0 HB3 TYR A 93 1.995 9.482 2.259 1.00 62.21 H new ATOM 0 HD1 TYR A 93 3.423 11.211 1.266 1.00 74.13 H new ATOM 0 HD2 TYR A 93 2.683 11.176 5.457 1.00 75.44 H new ATOM 0 HE1 TYR A 93 5.276 12.767 1.603 1.00 13.33 H new ATOM 0 HE2 TYR A 93 4.544 12.738 5.794 1.00 22.13 H new ATOM 0 HH TYR A 93 6.804 13.248 4.353 1.00 12.23 H new ATOM 1386 N ARG A 94 -0.777 10.125 0.934 1.00 2.03 N ATOM 1387 CA ARG A 94 -1.741 9.366 0.144 1.00 75.21 C ATOM 1388 C ARG A 94 -1.186 7.978 -0.207 1.00 0.42 C ATOM 1389 O ARG A 94 0.004 7.712 -0.013 1.00 2.54 O ATOM 1390 CB ARG A 94 -2.107 10.137 -1.136 1.00 23.11 C ATOM 1391 CG ARG A 94 -0.967 10.247 -2.130 1.00 53.41 C ATOM 1392 CD ARG A 94 -1.310 11.127 -3.312 1.00 64.25 C ATOM 1393 NE ARG A 94 -1.399 12.541 -2.950 1.00 72.20 N ATOM 1394 CZ ARG A 94 -1.165 13.547 -3.800 1.00 42.10 C ATOM 1395 NH1 ARG A 94 -0.979 13.296 -5.099 1.00 25.03 N ATOM 1396 NH2 ARG A 94 -1.130 14.801 -3.358 1.00 53.44 N ATOM 0 H ARG A 94 -0.270 10.825 0.393 1.00 2.03 H new ATOM 0 HA ARG A 94 -2.643 9.231 0.741 1.00 75.21 H new ATOM 0 HB2 ARG A 94 -2.951 9.643 -1.618 1.00 23.11 H new ATOM 0 HB3 ARG A 94 -2.437 11.139 -0.864 1.00 23.11 H new ATOM 0 HG2 ARG A 94 -0.088 10.648 -1.626 1.00 53.41 H new ATOM 0 HG3 ARG A 94 -0.704 9.251 -2.487 1.00 53.41 H new ATOM 0 HD2 ARG A 94 -0.554 11.000 -4.087 1.00 64.25 H new ATOM 0 HD3 ARG A 94 -2.260 10.804 -3.738 1.00 64.25 H new ATOM 0 HE ARG A 94 -1.655 12.774 -1.991 1.00 72.20 H new ATOM 0 HH11 ARG A 94 -1.015 12.337 -5.443 1.00 25.03 H new ATOM 0 HH12 ARG A 94 -0.801 14.064 -5.746 1.00 25.03 H new ATOM 0 HH21 ARG A 94 -1.282 14.997 -2.369 1.00 53.44 H new ATOM 0 HH22 ARG A 94 -0.951 15.566 -4.008 1.00 53.44 H new ATOM 1410 N ASP A 95 -2.042 7.143 -0.777 1.00 33.00 N ATOM 1411 CA ASP A 95 -1.750 5.737 -1.146 1.00 52.41 C ATOM 1412 C ASP A 95 -0.514 5.628 -2.035 1.00 45.21 C ATOM 1413 O ASP A 95 0.376 4.798 -1.791 1.00 31.11 O ATOM 1414 CB ASP A 95 -2.957 5.170 -1.921 1.00 61.12 C ATOM 1415 CG ASP A 95 -3.275 5.984 -3.178 1.00 24.12 C ATOM 1416 OD1 ASP A 95 -3.825 7.098 -3.044 1.00 1.14 O ATOM 1417 OD2 ASP A 95 -2.899 5.576 -4.296 1.00 15.30 O ATOM 0 H ASP A 95 -2.996 7.420 -1.010 1.00 33.00 H new ATOM 0 HA ASP A 95 -1.564 5.178 -0.229 1.00 52.41 H new ATOM 0 HB2 ASP A 95 -2.753 4.137 -2.202 1.00 61.12 H new ATOM 0 HB3 ASP A 95 -3.831 5.156 -1.269 1.00 61.12 H new ATOM 1422 N THR A 96 -0.452 6.494 -3.015 1.00 62.35 N ATOM 1423 CA THR A 96 0.599 6.536 -3.965 1.00 42.24 C ATOM 1424 C THR A 96 1.934 6.824 -3.256 1.00 50.31 C ATOM 1425 O THR A 96 2.948 6.201 -3.538 1.00 64.14 O ATOM 1426 CB THR A 96 0.269 7.592 -5.039 1.00 70.22 C ATOM 1427 OG1 THR A 96 -1.081 7.358 -5.549 1.00 44.32 O ATOM 1428 CG2 THR A 96 1.276 7.530 -6.174 1.00 23.00 C ATOM 0 H THR A 96 -1.164 7.209 -3.167 1.00 62.35 H new ATOM 0 HA THR A 96 0.700 5.571 -4.463 1.00 42.24 H new ATOM 0 HB THR A 96 0.321 8.584 -4.591 1.00 70.22 H new ATOM 0 HG1 THR A 96 -1.488 6.610 -5.065 1.00 44.32 H new ATOM 0 HG21 THR A 96 1.027 8.282 -6.923 1.00 23.00 H new ATOM 0 HG22 THR A 96 2.276 7.722 -5.784 1.00 23.00 H new ATOM 0 HG23 THR A 96 1.249 6.541 -6.631 1.00 23.00 H new ATOM 1436 N GLU A 97 1.890 7.729 -2.294 1.00 71.45 N ATOM 1437 CA GLU A 97 3.059 8.090 -1.519 1.00 5.22 C ATOM 1438 C GLU A 97 3.524 6.915 -0.665 1.00 72.01 C ATOM 1439 O GLU A 97 4.713 6.659 -0.575 1.00 74.51 O ATOM 1440 CB GLU A 97 2.764 9.295 -0.635 1.00 21.41 C ATOM 1441 CG GLU A 97 2.494 10.572 -1.402 1.00 71.10 C ATOM 1442 CD GLU A 97 3.726 11.142 -2.060 1.00 74.13 C ATOM 1443 OE1 GLU A 97 4.134 10.649 -3.120 1.00 14.22 O ATOM 1444 OE2 GLU A 97 4.300 12.115 -1.527 1.00 11.15 O ATOM 0 H GLU A 97 1.043 8.232 -2.030 1.00 71.45 H new ATOM 0 HA GLU A 97 3.857 8.352 -2.213 1.00 5.22 H new ATOM 0 HB2 GLU A 97 1.901 9.070 -0.009 1.00 21.41 H new ATOM 0 HB3 GLU A 97 3.609 9.457 0.034 1.00 21.41 H new ATOM 0 HG2 GLU A 97 1.740 10.378 -2.165 1.00 71.10 H new ATOM 0 HG3 GLU A 97 2.076 11.315 -0.723 1.00 71.10 H new ATOM 1451 N ILE A 98 2.571 6.168 -0.094 1.00 42.21 N ATOM 1452 CA ILE A 98 2.899 5.045 0.796 1.00 71.01 C ATOM 1453 C ILE A 98 3.705 4.013 0.035 1.00 54.24 C ATOM 1454 O ILE A 98 4.767 3.585 0.471 1.00 45.10 O ATOM 1455 CB ILE A 98 1.622 4.318 1.332 1.00 52.43 C ATOM 1456 CG1 ILE A 98 0.626 5.285 1.983 1.00 50.24 C ATOM 1457 CG2 ILE A 98 1.990 3.204 2.305 1.00 1.04 C ATOM 1458 CD1 ILE A 98 1.205 6.149 3.067 1.00 15.24 C ATOM 0 H ILE A 98 1.572 6.319 -0.231 1.00 42.21 H new ATOM 0 HA ILE A 98 3.455 5.464 1.635 1.00 71.01 H new ATOM 0 HB ILE A 98 1.130 3.879 0.464 1.00 52.43 H new ATOM 0 HG12 ILE A 98 0.207 5.929 1.209 1.00 50.24 H new ATOM 0 HG13 ILE A 98 -0.200 4.708 2.399 1.00 50.24 H new ATOM 0 HG21 ILE A 98 1.082 2.717 2.661 1.00 1.04 H new ATOM 0 HG22 ILE A 98 2.620 2.472 1.799 1.00 1.04 H new ATOM 0 HG23 ILE A 98 2.532 3.625 3.152 1.00 1.04 H new ATOM 0 HD11 ILE A 98 0.428 6.799 3.468 1.00 15.24 H new ATOM 0 HD12 ILE A 98 1.597 5.518 3.865 1.00 15.24 H new ATOM 0 HD13 ILE A 98 2.011 6.757 2.656 1.00 15.24 H new ATOM 1470 N MET A 99 3.215 3.666 -1.130 1.00 2.01 N ATOM 1471 CA MET A 99 3.863 2.672 -1.948 1.00 45.30 C ATOM 1472 C MET A 99 5.116 3.214 -2.614 1.00 32.11 C ATOM 1473 O MET A 99 5.991 2.449 -2.988 1.00 24.04 O ATOM 1474 CB MET A 99 2.899 2.097 -2.977 1.00 20.22 C ATOM 1475 CG MET A 99 1.677 1.461 -2.361 1.00 53.23 C ATOM 1476 SD MET A 99 0.616 0.661 -3.566 1.00 21.05 S ATOM 1477 CE MET A 99 -0.749 0.222 -2.499 1.00 12.13 C ATOM 0 H MET A 99 2.365 4.060 -1.534 1.00 2.01 H new ATOM 0 HA MET A 99 4.175 1.863 -1.287 1.00 45.30 H new ATOM 0 HB2 MET A 99 2.584 2.892 -3.654 1.00 20.22 H new ATOM 0 HB3 MET A 99 3.422 1.354 -3.579 1.00 20.22 H new ATOM 0 HG2 MET A 99 1.992 0.727 -1.619 1.00 53.23 H new ATOM 0 HG3 MET A 99 1.105 2.224 -1.832 1.00 53.23 H new ATOM 0 HE1 MET A 99 -1.579 -0.144 -3.103 1.00 12.13 H new ATOM 0 HE2 MET A 99 -0.433 -0.557 -1.806 1.00 12.13 H new ATOM 0 HE3 MET A 99 -1.068 1.100 -1.937 1.00 12.13 H new ATOM 1487 N ARG A 100 5.201 4.535 -2.732 1.00 33.44 N ATOM 1488 CA ARG A 100 6.318 5.206 -3.385 1.00 54.13 C ATOM 1489 C ARG A 100 7.644 4.799 -2.752 1.00 3.21 C ATOM 1490 O ARG A 100 8.460 4.138 -3.383 1.00 52.20 O ATOM 1491 CB ARG A 100 6.113 6.710 -3.294 1.00 61.11 C ATOM 1492 CG ARG A 100 7.170 7.568 -3.939 1.00 3.21 C ATOM 1493 CD ARG A 100 6.835 9.020 -3.705 1.00 12.33 C ATOM 1494 NE ARG A 100 7.797 9.931 -4.308 1.00 1.33 N ATOM 1495 CZ ARG A 100 7.633 11.252 -4.389 1.00 24.03 C ATOM 1496 NH1 ARG A 100 6.504 11.818 -3.947 1.00 4.53 N ATOM 1497 NH2 ARG A 100 8.588 12.005 -4.927 1.00 34.22 N ATOM 0 H ARG A 100 4.491 5.174 -2.374 1.00 33.44 H new ATOM 0 HA ARG A 100 6.354 4.909 -4.433 1.00 54.13 H new ATOM 0 HB2 ARG A 100 5.152 6.952 -3.748 1.00 61.11 H new ATOM 0 HB3 ARG A 100 6.046 6.983 -2.241 1.00 61.11 H new ATOM 0 HG2 ARG A 100 8.150 7.336 -3.521 1.00 3.21 H new ATOM 0 HG3 ARG A 100 7.222 7.361 -5.008 1.00 3.21 H new ATOM 0 HD2 ARG A 100 5.844 9.228 -4.109 1.00 12.33 H new ATOM 0 HD3 ARG A 100 6.788 9.208 -2.632 1.00 12.33 H new ATOM 0 HE ARG A 100 8.653 9.533 -4.694 1.00 1.33 H new ATOM 0 HH11 ARG A 100 5.766 11.239 -3.547 1.00 4.53 H new ATOM 0 HH12 ARG A 100 6.381 12.829 -4.010 1.00 4.53 H new ATOM 0 HH21 ARG A 100 9.443 11.572 -5.276 1.00 34.22 H new ATOM 0 HH22 ARG A 100 8.466 13.016 -4.990 1.00 34.22 H new ATOM 1511 N TRP A 101 7.831 5.151 -1.499 1.00 45.22 N ATOM 1512 CA TRP A 101 9.057 4.808 -0.789 1.00 53.05 C ATOM 1513 C TRP A 101 9.168 3.315 -0.528 1.00 42.34 C ATOM 1514 O TRP A 101 10.257 2.747 -0.553 1.00 22.35 O ATOM 1515 CB TRP A 101 9.213 5.622 0.515 1.00 40.13 C ATOM 1516 CG TRP A 101 7.987 5.664 1.393 1.00 15.42 C ATOM 1517 CD1 TRP A 101 7.044 6.636 1.395 1.00 42.31 C ATOM 1518 CD2 TRP A 101 7.577 4.709 2.395 1.00 11.35 C ATOM 1519 NE1 TRP A 101 6.073 6.362 2.314 1.00 4.31 N ATOM 1520 CE2 TRP A 101 6.375 5.186 2.948 1.00 71.33 C ATOM 1521 CE3 TRP A 101 8.101 3.505 2.874 1.00 35.30 C ATOM 1522 CZ2 TRP A 101 5.696 4.504 3.953 1.00 14.34 C ATOM 1523 CZ3 TRP A 101 7.426 2.837 3.864 1.00 50.41 C ATOM 1524 CH2 TRP A 101 6.240 3.333 4.397 1.00 42.12 C ATOM 0 H TRP A 101 7.153 5.675 -0.945 1.00 45.22 H new ATOM 0 HA TRP A 101 9.884 5.081 -1.444 1.00 53.05 H new ATOM 0 HB2 TRP A 101 10.039 5.203 1.090 1.00 40.13 H new ATOM 0 HB3 TRP A 101 9.491 6.644 0.256 1.00 40.13 H new ATOM 0 HD1 TRP A 101 7.058 7.508 0.757 1.00 42.31 H new ATOM 0 HE1 TRP A 101 5.254 6.940 2.499 1.00 4.31 H new ATOM 0 HE3 TRP A 101 9.021 3.108 2.472 1.00 35.30 H new ATOM 0 HZ2 TRP A 101 4.774 4.886 4.366 1.00 14.34 H new ATOM 0 HZ3 TRP A 101 7.824 1.905 4.238 1.00 50.41 H new ATOM 0 HH2 TRP A 101 5.739 2.780 5.178 1.00 42.12 H new ATOM 1535 N LEU A 102 8.037 2.691 -0.331 1.00 22.14 N ATOM 1536 CA LEU A 102 7.955 1.299 0.036 1.00 13.02 C ATOM 1537 C LEU A 102 8.427 0.371 -1.085 1.00 13.43 C ATOM 1538 O LEU A 102 9.068 -0.646 -0.832 1.00 52.55 O ATOM 1539 CB LEU A 102 6.522 0.994 0.439 1.00 15.35 C ATOM 1540 CG LEU A 102 6.240 -0.357 1.071 1.00 35.34 C ATOM 1541 CD1 LEU A 102 7.188 -0.610 2.226 1.00 3.41 C ATOM 1542 CD2 LEU A 102 4.819 -0.378 1.576 1.00 50.24 C ATOM 0 H LEU A 102 7.128 3.144 -0.423 1.00 22.14 H new ATOM 0 HA LEU A 102 8.626 1.115 0.875 1.00 13.02 H new ATOM 0 HB2 LEU A 102 6.199 1.765 1.138 1.00 15.35 H new ATOM 0 HB3 LEU A 102 5.897 1.086 -0.449 1.00 15.35 H new ATOM 0 HG LEU A 102 6.384 -1.137 0.323 1.00 35.34 H new ATOM 0 HD11 LEU A 102 6.972 -1.583 2.668 1.00 3.41 H new ATOM 0 HD12 LEU A 102 8.216 -0.596 1.863 1.00 3.41 H new ATOM 0 HD13 LEU A 102 7.059 0.167 2.979 1.00 3.41 H new ATOM 0 HD21 LEU A 102 4.609 -1.346 2.031 1.00 50.24 H new ATOM 0 HD22 LEU A 102 4.685 0.409 2.318 1.00 50.24 H new ATOM 0 HD23 LEU A 102 4.135 -0.213 0.744 1.00 50.24 H new ATOM 1554 N PHE A 103 8.116 0.716 -2.308 1.00 71.14 N ATOM 1555 CA PHE A 103 8.507 -0.105 -3.440 1.00 34.14 C ATOM 1556 C PHE A 103 9.826 0.329 -4.053 1.00 34.23 C ATOM 1557 O PHE A 103 10.302 -0.295 -5.001 1.00 15.41 O ATOM 1558 CB PHE A 103 7.407 -0.160 -4.500 1.00 35.13 C ATOM 1559 CG PHE A 103 6.223 -1.016 -4.122 1.00 74.24 C ATOM 1560 CD1 PHE A 103 5.283 -0.582 -3.199 1.00 44.31 C ATOM 1561 CD2 PHE A 103 6.046 -2.251 -4.715 1.00 5.22 C ATOM 1562 CE1 PHE A 103 4.194 -1.364 -2.881 1.00 23.14 C ATOM 1563 CE2 PHE A 103 4.963 -3.039 -4.397 1.00 14.14 C ATOM 1564 CZ PHE A 103 4.033 -2.595 -3.481 1.00 72.02 C ATOM 0 H PHE A 103 7.594 1.558 -2.552 1.00 71.14 H new ATOM 0 HA PHE A 103 8.655 -1.111 -3.048 1.00 34.14 H new ATOM 0 HB2 PHE A 103 7.059 0.854 -4.699 1.00 35.13 H new ATOM 0 HB3 PHE A 103 7.833 -0.539 -5.429 1.00 35.13 H new ATOM 0 HD1 PHE A 103 5.406 0.380 -2.724 1.00 44.31 H new ATOM 0 HD2 PHE A 103 6.767 -2.603 -5.438 1.00 5.22 H new ATOM 0 HE1 PHE A 103 3.468 -1.013 -2.163 1.00 23.14 H new ATOM 0 HE2 PHE A 103 4.842 -4.005 -4.865 1.00 14.14 H new ATOM 0 HZ PHE A 103 3.180 -3.210 -3.234 1.00 72.02 H new ATOM 1574 N THR A 104 10.416 1.371 -3.525 1.00 71.20 N ATOM 1575 CA THR A 104 11.694 1.825 -4.020 1.00 40.32 C ATOM 1576 C THR A 104 12.820 1.077 -3.297 1.00 71.22 C ATOM 1577 O THR A 104 12.929 1.177 -2.062 1.00 72.34 O ATOM 1578 CB THR A 104 11.870 3.351 -3.812 1.00 32.02 C ATOM 1579 OG1 THR A 104 10.819 4.055 -4.491 1.00 31.12 O ATOM 1580 CG2 THR A 104 13.215 3.828 -4.350 1.00 60.11 C ATOM 0 H THR A 104 10.035 1.921 -2.755 1.00 71.20 H new ATOM 0 HA THR A 104 11.736 1.620 -5.090 1.00 40.32 H new ATOM 0 HB THR A 104 11.830 3.553 -2.742 1.00 32.02 H new ATOM 0 HG1 THR A 104 9.952 3.784 -4.122 1.00 31.12 H new ATOM 0 HG21 THR A 104 13.311 4.902 -4.190 1.00 60.11 H new ATOM 0 HG22 THR A 104 14.020 3.311 -3.828 1.00 60.11 H new ATOM 0 HG23 THR A 104 13.277 3.613 -5.417 1.00 60.11 H new ATOM 1588 N PRO A 105 13.639 0.282 -4.026 1.00 62.21 N ATOM 1589 CA PRO A 105 14.774 -0.403 -3.428 1.00 51.54 C ATOM 1590 C PRO A 105 15.767 0.620 -2.919 1.00 23.11 C ATOM 1591 O PRO A 105 16.171 1.532 -3.660 1.00 72.40 O ATOM 1592 CB PRO A 105 15.385 -1.200 -4.590 1.00 54.05 C ATOM 1593 CG PRO A 105 14.309 -1.268 -5.617 1.00 50.34 C ATOM 1594 CD PRO A 105 13.523 -0.004 -5.464 1.00 50.14 C ATOM 0 HA PRO A 105 14.497 -1.038 -2.587 1.00 51.54 H new ATOM 0 HB2 PRO A 105 16.275 -0.707 -4.982 1.00 54.05 H new ATOM 0 HB3 PRO A 105 15.688 -2.197 -4.269 1.00 54.05 H new ATOM 0 HG2 PRO A 105 14.729 -1.349 -6.620 1.00 50.34 H new ATOM 0 HG3 PRO A 105 13.677 -2.143 -5.465 1.00 50.34 H new ATOM 0 HD2 PRO A 105 13.933 0.803 -6.071 1.00 50.14 H new ATOM 0 HD3 PRO A 105 12.484 -0.135 -5.768 1.00 50.14 H new ATOM 1602 N ASP A 106 16.161 0.482 -1.689 1.00 40.15 N ATOM 1603 CA ASP A 106 17.019 1.470 -1.086 1.00 11.43 C ATOM 1604 C ASP A 106 18.453 1.008 -1.077 1.00 41.04 C ATOM 1605 O ASP A 106 18.749 -0.082 -0.578 1.00 74.32 O ATOM 1606 CB ASP A 106 16.569 1.802 0.324 1.00 73.01 C ATOM 1607 CG ASP A 106 17.403 2.891 0.933 1.00 30.32 C ATOM 1608 OD1 ASP A 106 17.253 4.053 0.534 1.00 1.42 O ATOM 1609 OD2 ASP A 106 18.197 2.615 1.844 1.00 71.40 O ATOM 0 H ASP A 106 15.907 -0.298 -1.083 1.00 40.15 H new ATOM 0 HA ASP A 106 16.949 2.374 -1.690 1.00 11.43 H new ATOM 0 HB2 ASP A 106 15.524 2.110 0.309 1.00 73.01 H new ATOM 0 HB3 ASP A 106 16.629 0.908 0.945 1.00 73.01 H new ATOM 1614 N PRO A 107 19.367 1.822 -1.627 1.00 3.41 N ATOM 1615 CA PRO A 107 20.786 1.487 -1.711 1.00 21.11 C ATOM 1616 C PRO A 107 21.435 1.270 -0.343 1.00 31.40 C ATOM 1617 O PRO A 107 22.352 0.468 -0.204 1.00 1.02 O ATOM 1618 CB PRO A 107 21.410 2.688 -2.422 1.00 64.13 C ATOM 1619 CG PRO A 107 20.426 3.793 -2.267 1.00 44.42 C ATOM 1620 CD PRO A 107 19.085 3.143 -2.228 1.00 44.31 C ATOM 0 HA PRO A 107 20.936 0.544 -2.237 1.00 21.11 H new ATOM 0 HB2 PRO A 107 22.370 2.952 -1.979 1.00 64.13 H new ATOM 0 HB3 PRO A 107 21.594 2.470 -3.474 1.00 64.13 H new ATOM 0 HG2 PRO A 107 20.613 4.358 -1.354 1.00 44.42 H new ATOM 0 HG3 PRO A 107 20.495 4.497 -3.096 1.00 44.42 H new ATOM 0 HD2 PRO A 107 18.377 3.715 -1.628 1.00 44.31 H new ATOM 0 HD3 PRO A 107 18.654 3.048 -3.225 1.00 44.31 H new ATOM 1628 N SER A 108 20.945 1.950 0.667 1.00 25.22 N ATOM 1629 CA SER A 108 21.516 1.813 1.981 1.00 71.44 C ATOM 1630 C SER A 108 20.806 0.729 2.789 1.00 34.32 C ATOM 1631 O SER A 108 21.088 0.524 3.978 1.00 55.14 O ATOM 1632 CB SER A 108 21.552 3.167 2.702 1.00 64.53 C ATOM 1633 OG SER A 108 20.304 3.846 2.633 1.00 22.31 O ATOM 0 H SER A 108 20.159 2.597 0.603 1.00 25.22 H new ATOM 0 HA SER A 108 22.549 1.483 1.875 1.00 71.44 H new ATOM 0 HB2 SER A 108 21.823 3.013 3.747 1.00 64.53 H new ATOM 0 HB3 SER A 108 22.328 3.792 2.260 1.00 64.53 H new ATOM 0 HG SER A 108 19.574 3.197 2.709 1.00 22.31 H new ATOM 1639 N LEU A 109 19.896 0.036 2.147 1.00 23.31 N ATOM 1640 CA LEU A 109 19.203 -1.039 2.769 1.00 71.12 C ATOM 1641 C LEU A 109 19.781 -2.352 2.283 1.00 12.31 C ATOM 1642 O LEU A 109 19.918 -2.581 1.080 1.00 34.11 O ATOM 1643 CB LEU A 109 17.716 -0.979 2.448 1.00 62.14 C ATOM 1644 CG LEU A 109 16.849 -2.048 3.100 1.00 65.43 C ATOM 1645 CD1 LEU A 109 16.836 -1.883 4.604 1.00 73.54 C ATOM 1646 CD2 LEU A 109 15.448 -2.005 2.547 1.00 32.24 C ATOM 0 H LEU A 109 19.624 0.210 1.180 1.00 23.31 H new ATOM 0 HA LEU A 109 19.323 -0.959 3.849 1.00 71.12 H new ATOM 0 HB2 LEU A 109 17.339 -0.001 2.747 1.00 62.14 H new ATOM 0 HB3 LEU A 109 17.595 -1.050 1.367 1.00 62.14 H new ATOM 0 HG LEU A 109 17.278 -3.023 2.869 1.00 65.43 H new ATOM 0 HD11 LEU A 109 16.211 -2.657 5.050 1.00 73.54 H new ATOM 0 HD12 LEU A 109 17.852 -1.971 4.989 1.00 73.54 H new ATOM 0 HD13 LEU A 109 16.436 -0.902 4.859 1.00 73.54 H new ATOM 0 HD21 LEU A 109 14.844 -2.776 3.025 1.00 32.24 H new ATOM 0 HD22 LEU A 109 15.009 -1.027 2.743 1.00 32.24 H new ATOM 0 HD23 LEU A 109 15.476 -2.181 1.472 1.00 32.24 H new ATOM 1658 N THR A 110 20.168 -3.166 3.201 1.00 42.34 N ATOM 1659 CA THR A 110 20.665 -4.475 2.909 1.00 24.51 C ATOM 1660 C THR A 110 19.955 -5.446 3.823 1.00 42.53 C ATOM 1661 O THR A 110 20.137 -5.429 5.048 1.00 74.21 O ATOM 1662 CB THR A 110 22.196 -4.555 3.077 1.00 53.41 C ATOM 1663 OG1 THR A 110 22.798 -3.523 2.267 1.00 14.43 O ATOM 1664 CG2 THR A 110 22.721 -5.915 2.622 1.00 72.12 C ATOM 0 H THR A 110 20.150 -2.942 4.196 1.00 42.34 H new ATOM 0 HA THR A 110 20.466 -4.725 1.867 1.00 24.51 H new ATOM 0 HB THR A 110 22.448 -4.421 4.129 1.00 53.41 H new ATOM 0 HG1 THR A 110 23.773 -3.559 2.363 1.00 14.43 H new ATOM 0 HG21 THR A 110 23.803 -5.949 2.750 1.00 72.12 H new ATOM 0 HG22 THR A 110 22.261 -6.701 3.220 1.00 72.12 H new ATOM 0 HG23 THR A 110 22.475 -6.067 1.571 1.00 72.12 H new ATOM 1672 N ILE A 111 19.124 -6.238 3.244 1.00 34.44 N ATOM 1673 CA ILE A 111 18.268 -7.142 3.967 1.00 63.35 C ATOM 1674 C ILE A 111 18.299 -8.482 3.334 1.00 42.41 C ATOM 1675 O ILE A 111 18.744 -8.626 2.196 1.00 45.34 O ATOM 1676 CB ILE A 111 16.797 -6.664 3.989 1.00 13.40 C ATOM 1677 CG1 ILE A 111 16.319 -6.312 2.560 1.00 30.35 C ATOM 1678 CG2 ILE A 111 16.598 -5.528 4.975 1.00 41.42 C ATOM 1679 CD1 ILE A 111 14.875 -5.885 2.459 1.00 61.32 C ATOM 0 H ILE A 111 19.009 -6.285 2.232 1.00 34.44 H new ATOM 0 HA ILE A 111 18.643 -7.179 4.990 1.00 63.35 H new ATOM 0 HB ILE A 111 16.170 -7.483 4.342 1.00 13.40 H new ATOM 0 HG12 ILE A 111 16.947 -5.512 2.170 1.00 30.35 H new ATOM 0 HG13 ILE A 111 16.472 -7.179 1.918 1.00 30.35 H new ATOM 0 HG21 ILE A 111 15.554 -5.216 4.965 1.00 41.42 H new ATOM 0 HG22 ILE A 111 16.867 -5.864 5.976 1.00 41.42 H new ATOM 0 HG23 ILE A 111 17.230 -4.686 4.693 1.00 41.42 H new ATOM 0 HD11 ILE A 111 14.634 -5.659 1.420 1.00 61.32 H new ATOM 0 HD12 ILE A 111 14.232 -6.690 2.814 1.00 61.32 H new ATOM 0 HD13 ILE A 111 14.715 -4.996 3.070 1.00 61.32 H new ATOM 1805 N VAL A 120 20.479 -9.117 0.214 1.00 42.42 N ATOM 1806 CA VAL A 120 20.390 -8.306 -0.962 1.00 44.24 C ATOM 1807 C VAL A 120 20.569 -6.848 -0.570 1.00 33.12 C ATOM 1808 O VAL A 120 19.824 -6.324 0.280 1.00 63.34 O ATOM 1809 CB VAL A 120 19.011 -8.476 -1.678 1.00 55.43 C ATOM 1810 CG1 VAL A 120 18.934 -7.622 -2.943 1.00 41.22 C ATOM 1811 CG2 VAL A 120 18.736 -9.939 -2.014 1.00 45.13 C ATOM 0 HA VAL A 120 21.171 -8.622 -1.653 1.00 44.24 H new ATOM 0 HB VAL A 120 18.244 -8.133 -0.984 1.00 55.43 H new ATOM 0 HG11 VAL A 120 17.963 -7.762 -3.418 1.00 41.22 H new ATOM 0 HG12 VAL A 120 19.062 -6.572 -2.681 1.00 41.22 H new ATOM 0 HG13 VAL A 120 19.722 -7.922 -3.633 1.00 41.22 H new ATOM 0 HG21 VAL A 120 17.770 -10.023 -2.511 1.00 45.13 H new ATOM 0 HG22 VAL A 120 19.518 -10.314 -2.675 1.00 45.13 H new ATOM 0 HG23 VAL A 120 18.724 -10.527 -1.096 1.00 45.13 H new ATOM 1821 N SER A 121 21.578 -6.222 -1.116 1.00 60.33 N ATOM 1822 CA SER A 121 21.770 -4.817 -0.936 1.00 3.42 C ATOM 1823 C SER A 121 20.956 -4.133 -2.010 1.00 22.44 C ATOM 1824 O SER A 121 20.906 -4.622 -3.155 1.00 41.55 O ATOM 1825 CB SER A 121 23.264 -4.447 -1.046 1.00 63.21 C ATOM 1826 OG SER A 121 23.485 -3.059 -0.829 1.00 73.14 O ATOM 0 H SER A 121 22.285 -6.675 -1.695 1.00 60.33 H new ATOM 0 HA SER A 121 21.447 -4.500 0.056 1.00 3.42 H new ATOM 0 HB2 SER A 121 23.835 -5.023 -0.318 1.00 63.21 H new ATOM 0 HB3 SER A 121 23.635 -4.723 -2.033 1.00 63.21 H new ATOM 0 HG SER A 121 23.356 -2.852 0.120 1.00 73.14 H new ATOM 1832 N ASN A 122 20.301 -3.053 -1.639 1.00 20.02 N ATOM 1833 CA ASN A 122 19.416 -2.310 -2.519 1.00 63.12 C ATOM 1834 C ASN A 122 18.206 -3.164 -2.844 1.00 65.03 C ATOM 1835 O ASN A 122 18.061 -3.702 -3.943 1.00 13.32 O ATOM 1836 CB ASN A 122 20.130 -1.777 -3.793 1.00 4.31 C ATOM 1837 CG ASN A 122 19.247 -0.897 -4.668 1.00 31.52 C ATOM 1838 OD1 ASN A 122 19.152 0.300 -4.448 1.00 1.12 O ATOM 1839 ND2 ASN A 122 18.633 -1.465 -5.678 1.00 74.00 N ATOM 0 H ASN A 122 20.368 -2.658 -0.701 1.00 20.02 H new ATOM 0 HA ASN A 122 19.085 -1.414 -1.995 1.00 63.12 H new ATOM 0 HB2 ASN A 122 21.011 -1.209 -3.494 1.00 4.31 H new ATOM 0 HB3 ASN A 122 20.482 -2.624 -4.383 1.00 4.31 H new ATOM 0 HD21 ASN A 122 18.057 -0.904 -6.305 1.00 74.00 H new ATOM 0 HD22 ASN A 122 18.732 -2.468 -5.836 1.00 74.00 H new ATOM 1846 N ALA A 123 17.405 -3.376 -1.839 1.00 14.31 N ATOM 1847 CA ALA A 123 16.215 -4.175 -1.961 1.00 22.21 C ATOM 1848 C ALA A 123 15.016 -3.360 -1.554 1.00 50.02 C ATOM 1849 O ALA A 123 15.164 -2.298 -0.922 1.00 53.31 O ATOM 1850 CB ALA A 123 16.326 -5.431 -1.113 1.00 51.41 C ATOM 0 H ALA A 123 17.559 -2.997 -0.904 1.00 14.31 H new ATOM 0 HA ALA A 123 16.097 -4.482 -3.000 1.00 22.21 H new ATOM 0 HB1 ALA A 123 15.417 -6.023 -1.218 1.00 51.41 H new ATOM 0 HB2 ALA A 123 17.182 -6.019 -1.444 1.00 51.41 H new ATOM 0 HB3 ALA A 123 16.459 -5.153 -0.067 1.00 51.41 H new ATOM 1856 N ARG A 124 13.847 -3.821 -1.937 1.00 64.31 N ATOM 1857 CA ARG A 124 12.619 -3.142 -1.606 1.00 14.31 C ATOM 1858 C ARG A 124 12.263 -3.380 -0.127 1.00 63.22 C ATOM 1859 O ARG A 124 12.292 -4.526 0.349 1.00 34.14 O ATOM 1860 CB ARG A 124 11.462 -3.585 -2.549 1.00 3.24 C ATOM 1861 CG ARG A 124 11.072 -5.060 -2.451 1.00 4.14 C ATOM 1862 CD ARG A 124 9.977 -5.429 -3.446 1.00 5.33 C ATOM 1863 NE ARG A 124 9.542 -6.820 -3.272 1.00 52.44 N ATOM 1864 CZ ARG A 124 8.793 -7.536 -4.131 1.00 33.02 C ATOM 1865 NH1 ARG A 124 8.440 -7.032 -5.320 1.00 45.20 N ATOM 1866 NH2 ARG A 124 8.420 -8.772 -3.798 1.00 72.10 N ATOM 0 H ARG A 124 13.723 -4.673 -2.484 1.00 64.31 H new ATOM 0 HA ARG A 124 12.763 -2.072 -1.753 1.00 14.31 H new ATOM 0 HB2 ARG A 124 10.584 -2.978 -2.330 1.00 3.24 H new ATOM 0 HB3 ARG A 124 11.750 -3.369 -3.578 1.00 3.24 H new ATOM 0 HG2 ARG A 124 11.950 -5.680 -2.632 1.00 4.14 H new ATOM 0 HG3 ARG A 124 10.731 -5.278 -1.439 1.00 4.14 H new ATOM 0 HD2 ARG A 124 9.125 -4.761 -3.317 1.00 5.33 H new ATOM 0 HD3 ARG A 124 10.343 -5.285 -4.462 1.00 5.33 H new ATOM 0 HE ARG A 124 9.836 -7.290 -2.416 1.00 52.44 H new ATOM 0 HH11 ARG A 124 8.739 -6.094 -5.585 1.00 45.20 H new ATOM 0 HH12 ARG A 124 7.872 -7.586 -5.961 1.00 45.20 H new ATOM 0 HH21 ARG A 124 8.702 -9.165 -2.900 1.00 72.10 H new ATOM 0 HH22 ARG A 124 7.852 -9.324 -4.441 1.00 72.10 H new ATOM 1880 N PRO A 125 11.944 -2.302 0.627 1.00 73.24 N ATOM 1881 CA PRO A 125 11.552 -2.380 2.056 1.00 31.42 C ATOM 1882 C PRO A 125 10.361 -3.319 2.311 1.00 13.03 C ATOM 1883 O PRO A 125 10.125 -3.749 3.444 1.00 35.30 O ATOM 1884 CB PRO A 125 11.181 -0.939 2.414 1.00 71.50 C ATOM 1885 CG PRO A 125 11.926 -0.102 1.441 1.00 74.21 C ATOM 1886 CD PRO A 125 11.999 -0.896 0.168 1.00 44.32 C ATOM 0 HA PRO A 125 12.360 -2.792 2.661 1.00 31.42 H new ATOM 0 HB2 PRO A 125 10.106 -0.776 2.334 1.00 71.50 H new ATOM 0 HB3 PRO A 125 11.464 -0.701 3.439 1.00 71.50 H new ATOM 0 HG2 PRO A 125 11.418 0.849 1.277 1.00 74.21 H new ATOM 0 HG3 PRO A 125 12.924 0.130 1.812 1.00 74.21 H new ATOM 0 HD2 PRO A 125 11.170 -0.660 -0.499 1.00 44.32 H new ATOM 0 HD3 PRO A 125 12.918 -0.690 -0.380 1.00 44.32 H new ATOM 1894 N VAL A 126 9.634 -3.640 1.252 1.00 71.31 N ATOM 1895 CA VAL A 126 8.510 -4.562 1.321 1.00 22.31 C ATOM 1896 C VAL A 126 8.989 -5.934 1.822 1.00 31.35 C ATOM 1897 O VAL A 126 8.385 -6.530 2.712 1.00 1.41 O ATOM 1898 CB VAL A 126 7.869 -4.752 -0.072 1.00 30.21 C ATOM 1899 CG1 VAL A 126 6.714 -5.711 0.008 1.00 74.34 C ATOM 1900 CG2 VAL A 126 7.401 -3.433 -0.647 1.00 74.34 C ATOM 0 H VAL A 126 9.807 -3.268 0.318 1.00 71.31 H new ATOM 0 HA VAL A 126 7.774 -4.142 2.006 1.00 22.31 H new ATOM 0 HB VAL A 126 8.632 -5.163 -0.734 1.00 30.21 H new ATOM 0 HG11 VAL A 126 6.274 -5.834 -0.982 1.00 74.34 H new ATOM 0 HG12 VAL A 126 7.067 -6.676 0.370 1.00 74.34 H new ATOM 0 HG13 VAL A 126 5.963 -5.319 0.693 1.00 74.34 H new ATOM 0 HG21 VAL A 126 6.955 -3.601 -1.627 1.00 74.34 H new ATOM 0 HG22 VAL A 126 6.660 -2.989 0.018 1.00 74.34 H new ATOM 0 HG23 VAL A 126 8.251 -2.757 -0.746 1.00 74.34 H new ATOM 1910 N ASP A 127 10.121 -6.378 1.307 1.00 22.13 N ATOM 1911 CA ASP A 127 10.690 -7.666 1.702 1.00 63.32 C ATOM 1912 C ASP A 127 11.148 -7.641 3.119 1.00 43.21 C ATOM 1913 O ASP A 127 11.132 -8.656 3.804 1.00 62.44 O ATOM 1914 CB ASP A 127 11.803 -8.130 0.767 1.00 34.32 C ATOM 1915 CG ASP A 127 11.264 -8.841 -0.443 1.00 53.41 C ATOM 1916 OD1 ASP A 127 10.555 -8.217 -1.261 1.00 73.24 O ATOM 1917 OD2 ASP A 127 11.547 -10.045 -0.616 1.00 74.43 O ATOM 0 H ASP A 127 10.669 -5.870 0.613 1.00 22.13 H new ATOM 0 HA ASP A 127 9.889 -8.400 1.617 1.00 63.32 H new ATOM 0 HB2 ASP A 127 12.392 -7.269 0.449 1.00 34.32 H new ATOM 0 HB3 ASP A 127 12.477 -8.795 1.308 1.00 34.32 H new ATOM 1922 N ALA A 128 11.553 -6.471 3.574 1.00 72.21 N ATOM 1923 CA ALA A 128 11.954 -6.309 4.940 1.00 42.10 C ATOM 1924 C ALA A 128 10.762 -6.560 5.854 1.00 43.43 C ATOM 1925 O ALA A 128 10.812 -7.431 6.697 1.00 24.44 O ATOM 1926 CB ALA A 128 12.528 -4.920 5.180 1.00 22.22 C ATOM 0 H ALA A 128 11.610 -5.623 3.009 1.00 72.21 H new ATOM 0 HA ALA A 128 12.737 -7.034 5.163 1.00 42.10 H new ATOM 0 HB1 ALA A 128 12.824 -4.824 6.225 1.00 22.22 H new ATOM 0 HB2 ALA A 128 13.398 -4.771 4.541 1.00 22.22 H new ATOM 0 HB3 ALA A 128 11.773 -4.169 4.947 1.00 22.22 H new ATOM 1932 N LEU A 129 9.657 -5.881 5.605 1.00 11.31 N ATOM 1933 CA LEU A 129 8.479 -6.007 6.467 1.00 44.12 C ATOM 1934 C LEU A 129 7.848 -7.386 6.360 1.00 51.33 C ATOM 1935 O LEU A 129 7.389 -7.942 7.354 1.00 74.03 O ATOM 1936 CB LEU A 129 7.463 -4.881 6.184 1.00 40.45 C ATOM 1937 CG LEU A 129 6.824 -4.853 4.794 1.00 40.11 C ATOM 1938 CD1 LEU A 129 5.581 -5.721 4.732 1.00 42.20 C ATOM 1939 CD2 LEU A 129 6.528 -3.442 4.351 1.00 41.31 C ATOM 0 H LEU A 129 9.543 -5.239 4.821 1.00 11.31 H new ATOM 0 HA LEU A 129 8.810 -5.895 7.500 1.00 44.12 H new ATOM 0 HB2 LEU A 129 6.664 -4.952 6.922 1.00 40.45 H new ATOM 0 HB3 LEU A 129 7.962 -3.926 6.346 1.00 40.45 H new ATOM 0 HG LEU A 129 7.550 -5.272 4.097 1.00 40.11 H new ATOM 0 HD11 LEU A 129 5.155 -5.676 3.730 1.00 42.20 H new ATOM 0 HD12 LEU A 129 5.845 -6.752 4.968 1.00 42.20 H new ATOM 0 HD13 LEU A 129 4.849 -5.360 5.454 1.00 42.20 H new ATOM 0 HD21 LEU A 129 6.075 -3.459 3.360 1.00 41.31 H new ATOM 0 HD22 LEU A 129 5.840 -2.976 5.056 1.00 41.31 H new ATOM 0 HD23 LEU A 129 7.455 -2.870 4.316 1.00 41.31 H new ATOM 1951 N HIS A 130 7.909 -7.962 5.169 1.00 43.33 N ATOM 1952 CA HIS A 130 7.311 -9.258 4.890 1.00 21.04 C ATOM 1953 C HIS A 130 8.103 -10.349 5.627 1.00 34.23 C ATOM 1954 O HIS A 130 7.579 -11.422 5.959 1.00 4.24 O ATOM 1955 CB HIS A 130 7.326 -9.497 3.369 1.00 10.24 C ATOM 1956 CG HIS A 130 6.354 -10.525 2.870 1.00 70.44 C ATOM 1957 ND1 HIS A 130 5.255 -10.220 2.100 1.00 21.01 N ATOM 1958 CD2 HIS A 130 6.350 -11.868 2.999 1.00 44.35 C ATOM 1959 CE1 HIS A 130 4.638 -11.353 1.791 1.00 11.15 C ATOM 1960 NE2 HIS A 130 5.260 -12.391 2.314 1.00 23.02 N ATOM 0 H HIS A 130 8.377 -7.542 4.366 1.00 43.33 H new ATOM 0 HA HIS A 130 6.279 -9.286 5.239 1.00 21.04 H new ATOM 0 HB2 HIS A 130 7.118 -8.552 2.868 1.00 10.24 H new ATOM 0 HB3 HIS A 130 8.331 -9.799 3.076 1.00 10.24 H new ATOM 0 HD2 HIS A 130 7.079 -12.445 3.548 1.00 44.35 H new ATOM 0 HE1 HIS A 130 3.743 -11.417 1.190 1.00 11.15 H new ATOM 0 HE2 HIS A 130 4.996 -13.373 2.233 1.00 23.02 H new ATOM 1968 N ALA A 131 9.355 -10.034 5.911 1.00 32.32 N ATOM 1969 CA ALA A 131 10.251 -10.933 6.637 1.00 71.03 C ATOM 1970 C ALA A 131 10.434 -10.467 8.087 1.00 60.32 C ATOM 1971 O ALA A 131 11.369 -10.883 8.777 1.00 4.34 O ATOM 1972 CB ALA A 131 11.590 -11.026 5.933 1.00 10.30 C ATOM 0 H ALA A 131 9.785 -9.147 5.647 1.00 32.32 H new ATOM 0 HA ALA A 131 9.800 -11.925 6.655 1.00 71.03 H new ATOM 0 HB1 ALA A 131 12.246 -11.699 6.486 1.00 10.30 H new ATOM 0 HB2 ALA A 131 11.444 -11.410 4.923 1.00 10.30 H new ATOM 0 HB3 ALA A 131 12.044 -10.036 5.883 1.00 10.30 H new ATOM 1978 N HIS A 132 9.537 -9.592 8.532 1.00 3.32 N ATOM 1979 CA HIS A 132 9.496 -9.069 9.915 1.00 55.04 C ATOM 1980 C HIS A 132 10.735 -8.242 10.290 1.00 0.23 C ATOM 1981 O HIS A 132 11.072 -8.080 11.455 1.00 41.35 O ATOM 1982 CB HIS A 132 9.208 -10.188 10.941 1.00 64.51 C ATOM 1983 CG HIS A 132 7.853 -10.822 10.757 1.00 21.14 C ATOM 1984 ND1 HIS A 132 7.646 -12.171 10.569 1.00 71.42 N ATOM 1985 CD2 HIS A 132 6.622 -10.251 10.739 1.00 21.10 C ATOM 1986 CE1 HIS A 132 6.334 -12.375 10.437 1.00 62.34 C ATOM 1987 NE2 HIS A 132 5.658 -11.237 10.537 1.00 1.42 N ATOM 0 H HIS A 132 8.799 -9.213 7.938 1.00 3.32 H new ATOM 0 HA HIS A 132 8.659 -8.372 9.950 1.00 55.04 H new ATOM 0 HB2 HIS A 132 9.977 -10.956 10.858 1.00 64.51 H new ATOM 0 HB3 HIS A 132 9.277 -9.776 11.948 1.00 64.51 H new ATOM 0 HD2 HIS A 132 6.421 -9.197 10.862 1.00 21.10 H new ATOM 0 HE1 HIS A 132 5.881 -13.341 10.270 1.00 62.34 H new ATOM 0 HE2 HIS A 132 4.648 -11.111 10.478 1.00 1.42 H new ATOM 1995 N GLN A 133 11.325 -7.634 9.288 1.00 22.30 N ATOM 1996 CA GLN A 133 12.447 -6.691 9.421 1.00 32.43 C ATOM 1997 C GLN A 133 11.825 -5.282 9.326 1.00 10.51 C ATOM 1998 O GLN A 133 12.474 -4.287 9.011 1.00 70.05 O ATOM 1999 CB GLN A 133 13.457 -6.901 8.265 1.00 3.33 C ATOM 2000 CG GLN A 133 13.946 -8.338 8.098 1.00 10.51 C ATOM 2001 CD GLN A 133 14.887 -8.522 6.909 1.00 11.10 C ATOM 2002 OE1 GLN A 133 14.337 -8.797 5.748 1.00 25.21 O flip ATOM 2003 NE2 GLN A 133 16.107 -8.407 7.039 1.00 52.00 N flip ATOM 0 H GLN A 133 11.039 -7.777 8.319 1.00 22.30 H new ATOM 0 HA GLN A 133 12.983 -6.834 10.359 1.00 32.43 H new ATOM 0 HB2 GLN A 133 12.993 -6.579 7.333 1.00 3.33 H new ATOM 0 HB3 GLN A 133 14.319 -6.255 8.432 1.00 3.33 H new ATOM 0 HG2 GLN A 133 14.458 -8.648 9.009 1.00 10.51 H new ATOM 0 HG3 GLN A 133 13.085 -8.995 7.976 1.00 10.51 H new ATOM 0 HE21 GLN A 133 16.504 -8.193 7.954 1.00 52.00 H new ATOM 0 HE22 GLN A 133 16.719 -8.526 6.232 1.00 52.00 H new ATOM 2012 N ALA A 134 10.531 -5.256 9.645 1.00 14.21 N ATOM 2013 CA ALA A 134 9.618 -4.118 9.535 1.00 33.44 C ATOM 2014 C ALA A 134 10.099 -2.848 10.226 1.00 34.21 C ATOM 2015 O ALA A 134 9.729 -1.763 9.812 1.00 32.53 O ATOM 2016 CB ALA A 134 8.239 -4.505 10.054 1.00 62.31 C ATOM 0 H ALA A 134 10.062 -6.084 10.011 1.00 14.21 H new ATOM 0 HA ALA A 134 9.576 -3.876 8.473 1.00 33.44 H new ATOM 0 HB1 ALA A 134 7.566 -3.652 9.969 1.00 62.31 H new ATOM 0 HB2 ALA A 134 7.849 -5.336 9.466 1.00 62.31 H new ATOM 0 HB3 ALA A 134 8.314 -4.804 11.099 1.00 62.31 H new ATOM 2022 N ARG A 135 10.903 -2.986 11.265 1.00 4.22 N ATOM 2023 CA ARG A 135 11.365 -1.831 12.057 1.00 75.14 C ATOM 2024 C ARG A 135 12.080 -0.778 11.189 1.00 34.22 C ATOM 2025 O ARG A 135 11.895 0.423 11.392 1.00 22.14 O ATOM 2026 CB ARG A 135 12.277 -2.285 13.184 1.00 41.12 C ATOM 2027 CG ARG A 135 11.653 -3.313 14.107 1.00 45.22 C ATOM 2028 CD ARG A 135 12.619 -3.730 15.197 1.00 60.34 C ATOM 2029 NE ARG A 135 12.060 -4.787 16.040 1.00 52.14 N ATOM 2030 CZ ARG A 135 12.324 -4.955 17.339 1.00 52.44 C ATOM 2031 NH1 ARG A 135 13.121 -4.097 17.982 1.00 74.43 N ATOM 2032 NH2 ARG A 135 11.786 -5.977 17.991 1.00 20.23 N ATOM 0 H ARG A 135 11.258 -3.885 11.591 1.00 4.22 H new ATOM 0 HA ARG A 135 10.478 -1.360 12.481 1.00 75.14 H new ATOM 0 HB2 ARG A 135 13.188 -2.703 12.755 1.00 41.12 H new ATOM 0 HB3 ARG A 135 12.572 -1.416 13.772 1.00 41.12 H new ATOM 0 HG2 ARG A 135 10.750 -2.901 14.557 1.00 45.22 H new ATOM 0 HG3 ARG A 135 11.352 -4.188 13.531 1.00 45.22 H new ATOM 0 HD2 ARG A 135 13.549 -4.078 14.746 1.00 60.34 H new ATOM 0 HD3 ARG A 135 12.867 -2.866 15.813 1.00 60.34 H new ATOM 0 HE ARG A 135 11.418 -5.448 15.602 1.00 52.14 H new ATOM 0 HH11 ARG A 135 13.531 -3.309 17.481 1.00 74.43 H new ATOM 0 HH12 ARG A 135 13.319 -4.230 18.974 1.00 74.43 H new ATOM 0 HH21 ARG A 135 11.174 -6.630 17.501 1.00 20.23 H new ATOM 0 HH22 ARG A 135 11.984 -6.110 18.983 1.00 20.23 H new ATOM 2046 N GLU A 136 12.841 -1.233 10.195 1.00 42.32 N ATOM 2047 CA GLU A 136 13.534 -0.346 9.278 1.00 11.52 C ATOM 2048 C GLU A 136 12.511 0.396 8.404 1.00 3.20 C ATOM 2049 O GLU A 136 12.688 1.562 8.048 1.00 52.13 O ATOM 2050 CB GLU A 136 14.457 -1.191 8.420 1.00 71.10 C ATOM 2051 CG GLU A 136 15.269 -0.438 7.402 1.00 1.11 C ATOM 2052 CD GLU A 136 16.222 0.565 8.009 1.00 72.43 C ATOM 2053 OE1 GLU A 136 17.241 0.157 8.592 1.00 11.41 O ATOM 2054 OE2 GLU A 136 15.998 1.773 7.870 1.00 63.22 O ATOM 0 H GLU A 136 12.991 -2.224 10.008 1.00 42.32 H new ATOM 0 HA GLU A 136 14.115 0.398 9.824 1.00 11.52 H new ATOM 0 HB2 GLU A 136 15.140 -1.731 9.076 1.00 71.10 H new ATOM 0 HB3 GLU A 136 13.857 -1.938 7.900 1.00 71.10 H new ATOM 0 HG2 GLU A 136 15.837 -1.150 6.804 1.00 1.11 H new ATOM 0 HG3 GLU A 136 14.593 0.081 6.722 1.00 1.11 H new ATOM 2061 N VAL A 137 11.421 -0.284 8.109 1.00 14.24 N ATOM 2062 CA VAL A 137 10.352 0.274 7.304 1.00 63.12 C ATOM 2063 C VAL A 137 9.612 1.322 8.127 1.00 32.42 C ATOM 2064 O VAL A 137 9.283 2.388 7.626 1.00 30.31 O ATOM 2065 CB VAL A 137 9.366 -0.826 6.833 1.00 41.21 C ATOM 2066 CG1 VAL A 137 8.298 -0.257 5.909 1.00 21.44 C ATOM 2067 CG2 VAL A 137 10.123 -1.954 6.153 1.00 53.22 C ATOM 0 H VAL A 137 11.251 -1.240 8.421 1.00 14.24 H new ATOM 0 HA VAL A 137 10.784 0.731 6.414 1.00 63.12 H new ATOM 0 HB VAL A 137 8.859 -1.225 7.712 1.00 41.21 H new ATOM 0 HG11 VAL A 137 7.624 -1.055 5.598 1.00 21.44 H new ATOM 0 HG12 VAL A 137 7.732 0.511 6.436 1.00 21.44 H new ATOM 0 HG13 VAL A 137 8.772 0.181 5.031 1.00 21.44 H new ATOM 0 HG21 VAL A 137 9.419 -2.720 5.827 1.00 53.22 H new ATOM 0 HG22 VAL A 137 10.660 -1.563 5.289 1.00 53.22 H new ATOM 0 HG23 VAL A 137 10.834 -2.390 6.855 1.00 53.22 H new ATOM 2077 N VAL A 138 9.402 1.018 9.405 1.00 64.11 N ATOM 2078 CA VAL A 138 8.775 1.947 10.337 1.00 31.44 C ATOM 2079 C VAL A 138 9.646 3.198 10.458 1.00 11.12 C ATOM 2080 O VAL A 138 9.148 4.319 10.401 1.00 73.33 O ATOM 2081 CB VAL A 138 8.563 1.310 11.744 1.00 12.43 C ATOM 2082 CG1 VAL A 138 7.930 2.304 12.710 1.00 0.10 C ATOM 2083 CG2 VAL A 138 7.700 0.059 11.641 1.00 40.24 C ATOM 0 H VAL A 138 9.661 0.124 9.821 1.00 64.11 H new ATOM 0 HA VAL A 138 7.791 2.207 9.947 1.00 31.44 H new ATOM 0 HB VAL A 138 9.543 1.032 12.133 1.00 12.43 H new ATOM 0 HG11 VAL A 138 7.795 1.831 13.682 1.00 0.10 H new ATOM 0 HG12 VAL A 138 8.580 3.172 12.816 1.00 0.10 H new ATOM 0 HG13 VAL A 138 6.962 2.621 12.323 1.00 0.10 H new ATOM 0 HG21 VAL A 138 7.563 -0.371 12.633 1.00 40.24 H new ATOM 0 HG22 VAL A 138 6.728 0.321 11.222 1.00 40.24 H new ATOM 0 HG23 VAL A 138 8.190 -0.669 10.994 1.00 40.24 H new ATOM 2093 N ARG A 139 10.949 2.981 10.578 1.00 52.51 N ATOM 2094 CA ARG A 139 11.937 4.058 10.620 1.00 42.50 C ATOM 2095 C ARG A 139 11.844 4.921 9.357 1.00 3.14 C ATOM 2096 O ARG A 139 11.797 6.147 9.428 1.00 45.13 O ATOM 2097 CB ARG A 139 13.352 3.467 10.706 1.00 72.15 C ATOM 2098 CG ARG A 139 14.451 4.502 10.530 1.00 14.44 C ATOM 2099 CD ARG A 139 15.810 3.864 10.348 1.00 32.43 C ATOM 2100 NE ARG A 139 16.821 4.870 10.021 1.00 30.03 N ATOM 2101 CZ ARG A 139 17.820 4.704 9.149 1.00 11.42 C ATOM 2102 NH1 ARG A 139 17.934 3.580 8.449 1.00 14.12 N ATOM 2103 NH2 ARG A 139 18.678 5.685 8.943 1.00 3.45 N ATOM 0 H ARG A 139 11.356 2.048 10.650 1.00 52.51 H new ATOM 0 HA ARG A 139 11.734 4.672 11.497 1.00 42.50 H new ATOM 0 HB2 ARG A 139 13.475 2.978 11.672 1.00 72.15 H new ATOM 0 HB3 ARG A 139 13.463 2.697 9.943 1.00 72.15 H new ATOM 0 HG2 ARG A 139 14.225 5.126 9.665 1.00 14.44 H new ATOM 0 HG3 ARG A 139 14.473 5.158 11.400 1.00 14.44 H new ATOM 0 HD2 ARG A 139 16.095 3.340 11.260 1.00 32.43 H new ATOM 0 HD3 ARG A 139 15.763 3.119 9.554 1.00 32.43 H new ATOM 0 HE ARG A 139 16.758 5.770 10.497 1.00 30.03 H new ATOM 0 HH11 ARG A 139 17.254 2.830 8.574 1.00 14.12 H new ATOM 0 HH12 ARG A 139 18.702 3.467 7.787 1.00 14.12 H new ATOM 0 HH21 ARG A 139 18.577 6.565 9.448 1.00 3.45 H new ATOM 0 HH22 ARG A 139 19.442 5.563 8.278 1.00 3.45 H new ATOM 2117 N ARG A 140 11.787 4.260 8.213 1.00 12.04 N ATOM 2118 CA ARG A 140 11.756 4.931 6.925 1.00 13.13 C ATOM 2119 C ARG A 140 10.453 5.725 6.785 1.00 50.42 C ATOM 2120 O ARG A 140 10.428 6.806 6.202 1.00 63.32 O ATOM 2121 CB ARG A 140 11.881 3.891 5.808 1.00 52.44 C ATOM 2122 CG ARG A 140 12.391 4.430 4.479 1.00 73.03 C ATOM 2123 CD ARG A 140 13.816 4.982 4.614 1.00 44.43 C ATOM 2124 NE ARG A 140 14.733 4.011 5.266 1.00 54.01 N ATOM 2125 CZ ARG A 140 15.914 3.591 4.782 1.00 65.14 C ATOM 2126 NH1 ARG A 140 16.348 4.006 3.599 1.00 52.11 N ATOM 2127 NH2 ARG A 140 16.657 2.760 5.498 1.00 60.14 N ATOM 0 H ARG A 140 11.761 3.242 8.151 1.00 12.04 H new ATOM 0 HA ARG A 140 12.591 5.627 6.851 1.00 13.13 H new ATOM 0 HB2 ARG A 140 12.551 3.100 6.143 1.00 52.44 H new ATOM 0 HB3 ARG A 140 10.904 3.434 5.647 1.00 52.44 H new ATOM 0 HG2 ARG A 140 12.375 3.637 3.732 1.00 73.03 H new ATOM 0 HG3 ARG A 140 11.726 5.217 4.123 1.00 73.03 H new ATOM 0 HD2 ARG A 140 14.201 5.236 3.626 1.00 44.43 H new ATOM 0 HD3 ARG A 140 13.793 5.904 5.194 1.00 44.43 H new ATOM 0 HE ARG A 140 14.438 3.628 6.164 1.00 54.01 H new ATOM 0 HH11 ARG A 140 15.783 4.651 3.046 1.00 52.11 H new ATOM 0 HH12 ARG A 140 17.246 3.680 3.242 1.00 52.11 H new ATOM 0 HH21 ARG A 140 16.332 2.443 6.411 1.00 60.14 H new ATOM 0 HH22 ARG A 140 17.554 2.438 5.136 1.00 60.14 H new ATOM 2141 N ALA A 141 9.392 5.182 7.357 1.00 34.42 N ATOM 2142 CA ALA A 141 8.091 5.813 7.379 1.00 12.32 C ATOM 2143 C ALA A 141 8.149 7.077 8.233 1.00 24.02 C ATOM 2144 O ALA A 141 7.671 8.150 7.826 1.00 31.04 O ATOM 2145 CB ALA A 141 7.071 4.836 7.943 1.00 73.14 C ATOM 0 H ALA A 141 9.415 4.276 7.825 1.00 34.42 H new ATOM 0 HA ALA A 141 7.796 6.090 6.367 1.00 12.32 H new ATOM 0 HB1 ALA A 141 6.088 5.307 7.962 1.00 73.14 H new ATOM 0 HB2 ALA A 141 7.035 3.945 7.316 1.00 73.14 H new ATOM 0 HB3 ALA A 141 7.358 4.555 8.956 1.00 73.14 H new ATOM 2151 N GLN A 142 8.761 6.943 9.404 1.00 11.05 N ATOM 2152 CA GLN A 142 8.946 8.051 10.323 1.00 3.21 C ATOM 2153 C GLN A 142 9.755 9.153 9.669 1.00 70.13 C ATOM 2154 O GLN A 142 9.346 10.296 9.674 1.00 11.25 O ATOM 2155 CB GLN A 142 9.613 7.583 11.617 1.00 22.02 C ATOM 2156 CG GLN A 142 8.745 6.660 12.453 1.00 43.11 C ATOM 2157 CD GLN A 142 9.464 6.097 13.664 1.00 72.33 C ATOM 2158 OE1 GLN A 142 10.679 5.882 13.652 1.00 71.35 O ATOM 2159 NE2 GLN A 142 8.735 5.873 14.718 1.00 5.03 N ATOM 0 H GLN A 142 9.143 6.059 9.740 1.00 11.05 H new ATOM 0 HA GLN A 142 7.964 8.450 10.578 1.00 3.21 H new ATOM 0 HB2 GLN A 142 10.542 7.069 11.371 1.00 22.02 H new ATOM 0 HB3 GLN A 142 9.880 8.455 12.214 1.00 22.02 H new ATOM 0 HG2 GLN A 142 7.861 7.205 12.784 1.00 43.11 H new ATOM 0 HG3 GLN A 142 8.397 5.836 11.830 1.00 43.11 H new ATOM 0 HE21 GLN A 142 7.733 6.062 14.694 1.00 5.03 H new ATOM 0 HE22 GLN A 142 9.166 5.509 15.568 1.00 5.03 H new ATOM 2168 N ALA A 143 10.865 8.781 9.050 1.00 13.24 N ATOM 2169 CA ALA A 143 11.741 9.732 8.372 1.00 32.40 C ATOM 2170 C ALA A 143 11.030 10.417 7.200 1.00 43.11 C ATOM 2171 O ALA A 143 11.320 11.567 6.871 1.00 41.31 O ATOM 2172 CB ALA A 143 13.008 9.039 7.890 1.00 5.14 C ATOM 0 H ALA A 143 11.186 7.814 9.002 1.00 13.24 H new ATOM 0 HA ALA A 143 12.012 10.503 9.093 1.00 32.40 H new ATOM 0 HB1 ALA A 143 13.650 9.762 7.387 1.00 5.14 H new ATOM 0 HB2 ALA A 143 13.538 8.615 8.743 1.00 5.14 H new ATOM 0 HB3 ALA A 143 12.745 8.242 7.194 1.00 5.14 H new ATOM 2178 N MET A 144 10.094 9.716 6.596 1.00 41.15 N ATOM 2179 CA MET A 144 9.334 10.234 5.469 1.00 62.23 C ATOM 2180 C MET A 144 8.356 11.326 5.923 1.00 50.13 C ATOM 2181 O MET A 144 8.102 12.294 5.194 1.00 42.20 O ATOM 2182 CB MET A 144 8.565 9.088 4.786 1.00 24.01 C ATOM 2183 CG MET A 144 7.752 9.493 3.561 1.00 23.43 C ATOM 2184 SD MET A 144 8.773 10.088 2.200 1.00 2.53 S ATOM 2185 CE MET A 144 7.521 10.400 0.951 1.00 65.21 C ATOM 0 H MET A 144 9.835 8.768 6.870 1.00 41.15 H new ATOM 0 HA MET A 144 10.031 10.675 4.757 1.00 62.23 H new ATOM 0 HB2 MET A 144 9.278 8.318 4.491 1.00 24.01 H new ATOM 0 HB3 MET A 144 7.893 8.637 5.516 1.00 24.01 H new ATOM 0 HG2 MET A 144 7.167 8.638 3.222 1.00 23.43 H new ATOM 0 HG3 MET A 144 7.044 10.272 3.844 1.00 23.43 H new ATOM 0 HE1 MET A 144 7.975 10.356 -0.039 1.00 65.21 H new ATOM 0 HE2 MET A 144 6.738 9.646 1.025 1.00 65.21 H new ATOM 0 HE3 MET A 144 7.089 11.388 1.108 1.00 65.21 H new ATOM 2195 N ALA A 145 7.820 11.191 7.115 1.00 22.31 N ATOM 2196 CA ALA A 145 6.828 12.142 7.587 1.00 2.21 C ATOM 2197 C ALA A 145 7.341 13.084 8.680 1.00 43.41 C ATOM 2198 O ALA A 145 7.325 14.297 8.505 1.00 64.30 O ATOM 2199 CB ALA A 145 5.567 11.426 8.029 1.00 72.41 C ATOM 0 H ALA A 145 8.047 10.444 7.771 1.00 22.31 H new ATOM 0 HA ALA A 145 6.595 12.782 6.736 1.00 2.21 H new ATOM 0 HB1 ALA A 145 4.837 12.156 8.379 1.00 72.41 H new ATOM 0 HB2 ALA A 145 5.150 10.871 7.189 1.00 72.41 H new ATOM 0 HB3 ALA A 145 5.805 10.735 8.838 1.00 72.41 H new ATOM 2205 N TYR A 146 7.795 12.542 9.788 1.00 12.11 N ATOM 2206 CA TYR A 146 8.201 13.354 10.923 1.00 14.24 C ATOM 2207 C TYR A 146 9.614 13.022 11.340 1.00 43.14 C ATOM 2208 O TYR A 146 10.559 13.615 10.795 1.00 38.24 O ATOM 2209 CB TYR A 146 7.258 13.142 12.116 1.00 65.05 C ATOM 2210 CG TYR A 146 5.836 13.580 11.883 1.00 11.44 C ATOM 2211 CD1 TYR A 146 5.442 14.878 12.160 1.00 50.30 C ATOM 2212 CD2 TYR A 146 4.886 12.696 11.399 1.00 54.41 C ATOM 2213 CE1 TYR A 146 4.146 15.284 11.962 1.00 51.24 C ATOM 2214 CE2 TYR A 146 3.590 13.095 11.192 1.00 21.44 C ATOM 2215 CZ TYR A 146 3.224 14.391 11.479 1.00 33.44 C ATOM 2216 OH TYR A 146 1.925 14.794 11.288 1.00 54.44 O ATOM 2217 OXT TYR A 146 9.796 12.172 12.234 1.00 38.24 O ATOM 0 H TYR A 146 7.894 11.537 9.932 1.00 12.11 H new ATOM 0 HA TYR A 146 8.153 14.398 10.613 1.00 14.24 H new ATOM 0 HB2 TYR A 146 7.259 12.084 12.378 1.00 65.05 H new ATOM 0 HB3 TYR A 146 7.654 13.684 12.975 1.00 65.05 H new ATOM 0 HD1 TYR A 146 6.167 15.583 12.538 1.00 50.30 H new ATOM 0 HD2 TYR A 146 5.170 11.677 11.181 1.00 54.41 H new ATOM 0 HE1 TYR A 146 3.854 16.300 12.185 1.00 51.24 H new ATOM 0 HE2 TYR A 146 2.861 12.397 10.806 1.00 21.44 H new ATOM 0 HH TYR A 146 1.346 14.356 11.947 1.00 54.44 H new