USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 841 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 109 SER OG : rot 170:sc= 0.00492 USER MOD Set 1.2: A 125 ASN :FLIP amide:sc= 0 F(o=-0.095,f=1.7) USER MOD Set 1.3: A 126 ASN : amide:sc= 1.65 K(o=1.7,f=-1.4) USER MOD Set 2.1: A 38 CYS SG : rot 140:sc= -4.92! USER MOD Set 2.2: A 104 ASN : amide:sc= -0.802 X(o=-5.7,f=-5.3) USER MOD Set 3.1: A 41 ASN : amide:sc= 0.676 K(o=3.5,f=-7.9!) USER MOD Set 3.2: A 103 LYS NZ :NH3+ -178:sc= 2.82 (180deg=1.62) USER MOD Set 4.1: A 33 ASN : amide:sc= 0.902 K(o=-0.46,f=-4.7) USER MOD Set 4.2: A 34 LYS NZ :NH3+ -178:sc= -1.37! (180deg=-2.3!) USER MOD Set 5.1: A 22 MET CE :methyl -130:sc= -0.111 (180deg=-0.633) USER MOD Set 5.2: A 71 THR OG1 : rot -176:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc=0.000397 USER MOD Single : A 36 THR OG1 : rot -76:sc= 1.16 USER MOD Single : A 37 SER OG : rot -36:sc= 0.589 USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.8!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc=-0.00882 (180deg=-0.128) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 69 GLN :FLIP amide:sc= 0.972 F(o=0,f=0.97) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.154 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0.0454 (180deg=-0.183) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 2.86 (180deg=2.81) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.555 F(o=-1.2,f=-0.56) USER MOD Single : A 84 ASN : amide:sc= -1.84! K(o=-1.8!,f=-2.8) USER MOD Single : A 85 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.16) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.31) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -19:sc= -1.95! USER MOD Single : A 101 MET CE :methyl -137:sc= -0.367 (180deg=-2.88!) USER MOD Single : A 106 LYS NZ :NH3+ 170:sc= -0.003 (180deg=-0.0978) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0.672 K(o=0.67,f=-0.84) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 62:sc= 1.26 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.38 F(o=-2.6!,f=-0.38) USER MOD Single : A 128 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -5.687 -27.555 -11.880 1.00 71.32 N ATOM 308 CA MET A 22 -5.097 -28.889 -11.922 1.00 14.44 C ATOM 309 C MET A 22 -6.057 -29.871 -12.592 1.00 34.21 C ATOM 310 O MET A 22 -5.629 -30.865 -13.197 1.00 25.22 O ATOM 311 CB MET A 22 -4.764 -29.373 -10.502 1.00 32.01 C ATOM 312 CG MET A 22 -4.009 -28.354 -9.657 1.00 64.35 C ATOM 313 SD MET A 22 -2.402 -27.913 -10.346 1.00 62.34 S ATOM 314 CE MET A 22 -1.531 -29.474 -10.218 1.00 41.55 C ATOM 0 HA MET A 22 -4.176 -28.840 -12.503 1.00 14.44 H new ATOM 0 HB2 MET A 22 -5.691 -29.635 -9.993 1.00 32.01 H new ATOM 0 HB3 MET A 22 -4.169 -30.284 -10.571 1.00 32.01 H new ATOM 0 HG2 MET A 22 -4.615 -27.453 -9.558 1.00 64.35 H new ATOM 0 HG3 MET A 22 -3.869 -28.756 -8.653 1.00 64.35 H new ATOM 0 HE1 MET A 22 -0.564 -29.313 -9.740 1.00 41.55 H new ATOM 0 HE2 MET A 22 -2.119 -30.171 -9.621 1.00 41.55 H new ATOM 0 HE3 MET A 22 -1.379 -29.888 -11.215 1.00 41.55 H new ATOM 324 N ILE A 23 -7.356 -29.595 -12.461 1.00 11.52 N ATOM 325 CA ILE A 23 -8.392 -30.421 -13.077 1.00 62.20 C ATOM 326 C ILE A 23 -8.317 -30.308 -14.604 1.00 11.52 C ATOM 327 O ILE A 23 -8.655 -29.265 -15.167 1.00 51.53 O ATOM 328 CB ILE A 23 -9.826 -30.008 -12.628 1.00 4.53 C ATOM 329 CG1 ILE A 23 -9.868 -29.581 -11.146 1.00 14.53 C ATOM 330 CG2 ILE A 23 -10.809 -31.150 -12.878 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.437 -30.646 -10.155 1.00 12.43 C ATOM 0 H ILE A 23 -7.715 -28.801 -11.931 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.208 -31.445 -12.753 1.00 62.20 H new ATOM 0 HB ILE A 23 -10.119 -29.144 -13.225 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -9.228 -28.708 -11.018 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -10.884 -29.270 -10.902 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -11.807 -30.848 -12.560 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -10.825 -31.390 -13.941 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -10.498 -32.028 -12.312 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -9.502 -30.248 -9.142 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -10.090 -31.514 -10.246 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.409 -30.942 -10.363 1.00 12.43 H new ATOM 343 N GLU A 24 -7.875 -31.369 -15.270 1.00 63.12 N ATOM 344 CA GLU A 24 -7.778 -31.365 -16.731 1.00 10.03 C ATOM 345 C GLU A 24 -9.092 -31.839 -17.349 1.00 51.50 C ATOM 346 O GLU A 24 -9.655 -32.835 -16.909 1.00 10.23 O ATOM 347 CB GLU A 24 -6.630 -32.266 -17.195 1.00 41.42 C ATOM 348 CG GLU A 24 -6.453 -32.307 -18.709 1.00 40.21 C ATOM 349 CD GLU A 24 -6.109 -30.945 -19.295 1.00 32.25 C ATOM 350 OE1 GLU A 24 -7.035 -30.202 -19.690 1.00 35.10 O ATOM 351 OE2 GLU A 24 -4.905 -30.616 -19.356 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.579 -32.239 -14.828 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.578 -30.345 -17.059 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -5.702 -31.920 -16.739 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.806 -33.279 -16.832 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -5.664 -33.016 -18.960 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -7.370 -32.675 -19.169 1.00 40.21 H new ATOM 358 N GLN A 25 -9.563 -31.138 -18.373 1.00 3.42 N ATOM 359 CA GLN A 25 -10.834 -31.472 -19.018 1.00 70.21 C ATOM 360 C GLN A 25 -10.594 -32.338 -20.257 1.00 62.55 C ATOM 361 O GLN A 25 -9.924 -31.919 -21.202 1.00 71.41 O ATOM 362 CB GLN A 25 -11.614 -30.193 -19.372 1.00 35.52 C ATOM 363 CG GLN A 25 -10.840 -29.193 -20.227 1.00 35.52 C ATOM 364 CD GLN A 25 -11.621 -27.914 -20.478 1.00 34.41 C ATOM 365 OE1 GLN A 25 -12.361 -27.799 -21.458 1.00 41.35 O ATOM 366 NE2 GLN A 25 -11.463 -26.943 -19.594 1.00 13.53 N ATOM 0 H GLN A 25 -9.085 -30.333 -18.778 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.440 -32.048 -18.318 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.526 -30.473 -19.900 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -11.919 -29.702 -18.448 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -9.899 -28.949 -19.733 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -10.589 -29.655 -21.182 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -10.842 -27.076 -18.796 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -11.962 -26.061 -19.710 1.00 13.53 H new ATOM 375 N ILE A 26 -11.145 -33.551 -20.245 1.00 73.45 N ATOM 376 CA ILE A 26 -10.914 -34.522 -21.315 1.00 30.23 C ATOM 377 C ILE A 26 -12.219 -35.188 -21.752 1.00 44.22 C ATOM 378 O ILE A 26 -13.216 -35.162 -21.027 1.00 73.54 O ATOM 379 CB ILE A 26 -9.918 -35.626 -20.871 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.444 -36.372 -19.632 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.534 -35.034 -20.603 1.00 54.44 C ATOM 382 CD1 ILE A 26 -9.570 -37.534 -19.198 1.00 35.42 C ATOM 0 H ILE A 26 -11.758 -33.887 -19.502 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.491 -33.968 -22.153 1.00 30.23 H new ATOM 0 HB ILE A 26 -9.826 -36.345 -21.685 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.531 -35.667 -18.805 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -11.447 -36.743 -19.842 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.853 -35.827 -20.293 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -8.156 -34.566 -21.512 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.605 -34.287 -19.812 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -10.006 -38.009 -18.319 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -9.502 -38.261 -20.008 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.572 -37.168 -18.955 1.00 35.42 H new ATOM 394 N GLY A 27 -12.205 -35.776 -22.946 1.00 62.23 N ATOM 395 CA GLY A 27 -13.361 -36.506 -23.445 1.00 35.05 C ATOM 396 C GLY A 27 -13.198 -38.010 -23.304 1.00 75.43 C ATOM 397 O GLY A 27 -12.248 -38.478 -22.674 1.00 55.43 O ATOM 0 H GLY A 27 -11.408 -35.760 -23.582 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -14.251 -36.187 -22.903 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -13.520 -36.257 -24.494 1.00 35.05 H new ATOM 401 N ASP A 28 -14.117 -38.762 -23.906 1.00 55.22 N ATOM 402 CA ASP A 28 -14.116 -40.227 -23.819 1.00 30.13 C ATOM 403 C ASP A 28 -12.833 -40.817 -24.406 1.00 31.43 C ATOM 404 O ASP A 28 -12.156 -41.622 -23.768 1.00 52.43 O ATOM 405 CB ASP A 28 -15.338 -40.799 -24.555 1.00 2.44 C ATOM 406 CG ASP A 28 -15.365 -42.322 -24.563 1.00 31.34 C ATOM 407 OD1 ASP A 28 -14.791 -42.929 -25.493 1.00 33.35 O ATOM 408 OD2 ASP A 28 -15.966 -42.923 -23.642 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.880 -38.380 -24.465 1.00 55.22 H new ATOM 0 HA ASP A 28 -14.165 -40.502 -22.765 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -16.247 -40.427 -24.083 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -15.340 -40.435 -25.582 1.00 2.44 H new ATOM 413 N SER A 29 -12.497 -40.389 -25.619 1.00 43.14 N ATOM 414 CA SER A 29 -11.317 -40.889 -26.325 1.00 21.41 C ATOM 415 C SER A 29 -10.029 -40.585 -25.545 1.00 74.42 C ATOM 416 O SER A 29 -8.998 -41.237 -25.734 1.00 31.25 O ATOM 417 CB SER A 29 -11.252 -40.250 -27.717 1.00 13.32 C ATOM 418 OG SER A 29 -12.528 -40.271 -28.344 1.00 44.32 O ATOM 0 H SER A 29 -13.029 -39.691 -26.139 1.00 43.14 H new ATOM 0 HA SER A 29 -11.401 -41.972 -26.418 1.00 21.41 H new ATOM 0 HB2 SER A 29 -10.900 -39.222 -27.634 1.00 13.32 H new ATOM 0 HB3 SER A 29 -10.530 -40.785 -28.334 1.00 13.32 H new ATOM 0 HG SER A 29 -12.464 -39.857 -29.230 1.00 44.32 H new ATOM 424 N GLU A 30 -10.109 -39.597 -24.660 1.00 44.24 N ATOM 425 CA GLU A 30 -8.965 -39.151 -23.872 1.00 41.13 C ATOM 426 C GLU A 30 -8.840 -39.933 -22.569 1.00 44.35 C ATOM 427 O GLU A 30 -7.804 -39.875 -21.909 1.00 55.03 O ATOM 428 CB GLU A 30 -9.108 -37.657 -23.566 1.00 34.32 C ATOM 429 CG GLU A 30 -8.859 -36.753 -24.768 1.00 30.32 C ATOM 430 CD GLU A 30 -7.382 -36.579 -25.064 1.00 70.04 C ATOM 431 OE1 GLU A 30 -6.860 -35.466 -24.873 1.00 75.54 O ATOM 432 OE2 GLU A 30 -6.721 -37.561 -25.463 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.969 -39.083 -24.469 1.00 44.24 H new ATOM 0 HA GLU A 30 -8.062 -39.329 -24.456 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -10.111 -37.469 -23.184 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -8.410 -37.390 -22.773 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -9.355 -37.172 -25.643 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -9.307 -35.777 -24.584 1.00 30.32 H new ATOM 439 N PHE A 31 -9.893 -40.658 -22.205 1.00 52.35 N ATOM 440 CA PHE A 31 -9.919 -41.397 -20.943 1.00 4.33 C ATOM 441 C PHE A 31 -8.748 -42.379 -20.863 1.00 54.44 C ATOM 442 O PHE A 31 -7.861 -42.235 -20.017 1.00 42.52 O ATOM 443 CB PHE A 31 -11.259 -42.138 -20.803 1.00 52.22 C ATOM 444 CG PHE A 31 -11.381 -42.969 -19.549 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.197 -44.346 -19.589 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.681 -42.373 -18.331 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.311 -45.108 -18.444 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.796 -43.135 -17.182 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.610 -44.503 -17.240 1.00 11.43 C ATOM 0 H PHE A 31 -10.741 -40.751 -22.765 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.818 -40.690 -20.120 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -12.068 -41.408 -20.821 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.395 -42.786 -21.669 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -10.962 -44.826 -20.528 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.826 -41.304 -18.280 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -11.166 -46.177 -18.490 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -12.031 -42.661 -16.240 1.00 65.25 H new ATOM 0 HZ PHE A 31 -11.699 -45.099 -16.343 1.00 11.43 H new ATOM 459 N ASP A 32 -8.720 -43.339 -21.785 1.00 24.45 N ATOM 460 CA ASP A 32 -7.643 -44.332 -21.832 1.00 14.44 C ATOM 461 C ASP A 32 -6.293 -43.640 -21.955 1.00 54.45 C ATOM 462 O ASP A 32 -5.372 -43.896 -21.174 1.00 73.42 O ATOM 463 CB ASP A 32 -7.847 -45.294 -23.013 1.00 2.53 C ATOM 464 CG ASP A 32 -6.628 -46.175 -23.284 1.00 22.33 C ATOM 465 OD1 ASP A 32 -5.793 -45.799 -24.138 1.00 54.10 O ATOM 466 OD2 ASP A 32 -6.500 -47.247 -22.655 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.429 -43.452 -22.510 1.00 24.45 H new ATOM 0 HA ASP A 32 -7.665 -44.906 -20.906 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -8.710 -45.929 -22.812 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.078 -44.717 -23.909 1.00 2.53 H new ATOM 471 N ASN A 33 -6.206 -42.733 -22.923 1.00 43.22 N ATOM 472 CA ASN A 33 -4.971 -42.014 -23.222 1.00 4.32 C ATOM 473 C ASN A 33 -4.362 -41.393 -21.963 1.00 12.24 C ATOM 474 O ASN A 33 -3.231 -41.699 -21.590 1.00 43.20 O ATOM 475 CB ASN A 33 -5.245 -40.910 -24.256 1.00 4.00 C ATOM 476 CG ASN A 33 -3.990 -40.137 -24.636 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.643 -39.137 -24.002 1.00 34.52 O ATOM 478 ND2 ASN A 33 -3.302 -40.593 -25.670 1.00 23.04 N ATOM 0 H ASN A 33 -6.990 -42.475 -23.523 1.00 43.22 H new ATOM 0 HA ASN A 33 -4.258 -42.733 -23.626 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.677 -41.356 -25.152 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.986 -40.218 -23.855 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -2.452 -40.114 -25.968 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -3.621 -41.423 -26.169 1.00 23.04 H new ATOM 485 N LYS A 34 -5.141 -40.554 -21.294 1.00 32.10 N ATOM 486 CA LYS A 34 -4.642 -39.765 -20.172 1.00 63.34 C ATOM 487 C LYS A 34 -4.470 -40.615 -18.914 1.00 13.43 C ATOM 488 O LYS A 34 -3.615 -40.317 -18.078 1.00 20.22 O ATOM 489 CB LYS A 34 -5.578 -38.578 -19.907 1.00 42.13 C ATOM 490 CG LYS A 34 -5.651 -37.586 -21.068 1.00 54.23 C ATOM 491 CD LYS A 34 -4.290 -36.952 -21.357 1.00 2.25 C ATOM 492 CE LYS A 34 -4.352 -35.951 -22.506 1.00 10.31 C ATOM 493 NZ LYS A 34 -4.683 -36.600 -23.803 1.00 61.25 N1+ ATOM 0 H LYS A 34 -6.126 -40.401 -21.509 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.656 -39.385 -20.439 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.579 -38.955 -19.698 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.242 -38.054 -19.012 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -6.011 -38.097 -21.961 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.374 -36.805 -20.834 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -3.927 -36.450 -20.460 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -3.571 -37.735 -21.598 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -5.099 -35.190 -22.282 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -3.393 -35.440 -22.592 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -4.680 -35.886 -24.559 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -3.975 -37.332 -24.016 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -5.625 -37.037 -23.742 1.00 61.25 H new ATOM 507 N VAL A 35 -5.278 -41.671 -18.776 1.00 1.14 N ATOM 508 CA VAL A 35 -5.160 -42.567 -17.627 1.00 22.00 C ATOM 509 C VAL A 35 -3.879 -43.407 -17.705 1.00 74.14 C ATOM 510 O VAL A 35 -3.234 -43.662 -16.686 1.00 12.35 O ATOM 511 CB VAL A 35 -6.401 -43.494 -17.482 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.156 -44.606 -16.458 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.630 -42.674 -17.087 1.00 4.12 C ATOM 0 H VAL A 35 -6.012 -41.922 -19.438 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.108 -41.935 -16.741 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.580 -43.965 -18.449 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.044 -45.234 -16.383 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.308 -45.213 -16.776 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -5.941 -44.164 -15.485 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.492 -43.334 -16.989 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.444 -42.176 -16.136 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.831 -41.927 -17.855 1.00 4.12 H new ATOM 523 N THR A 36 -3.510 -43.830 -18.910 1.00 14.23 N ATOM 524 CA THR A 36 -2.313 -44.652 -19.094 1.00 5.43 C ATOM 525 C THR A 36 -1.047 -43.800 -19.253 1.00 53.41 C ATOM 526 O THR A 36 0.038 -44.213 -18.851 1.00 51.32 O ATOM 527 CB THR A 36 -2.459 -45.598 -20.310 1.00 11.34 C ATOM 528 OG1 THR A 36 -2.786 -44.844 -21.489 1.00 35.24 O ATOM 529 CG2 THR A 36 -3.539 -46.646 -20.060 1.00 31.14 C ATOM 0 H THR A 36 -4.017 -43.620 -19.770 1.00 14.23 H new ATOM 0 HA THR A 36 -2.210 -45.251 -18.189 1.00 5.43 H new ATOM 0 HB THR A 36 -1.506 -46.107 -20.456 1.00 11.34 H new ATOM 0 HG1 THR A 36 -3.728 -44.575 -21.455 1.00 35.24 H new ATOM 0 HG21 THR A 36 -3.622 -47.298 -20.930 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.274 -47.240 -19.185 1.00 31.14 H new ATOM 0 HG23 THR A 36 -4.494 -46.150 -19.886 1.00 31.14 H new ATOM 537 N SER A 37 -1.202 -42.602 -19.816 1.00 74.54 N ATOM 538 CA SER A 37 -0.066 -41.726 -20.125 1.00 42.32 C ATOM 539 C SER A 37 0.520 -41.075 -18.863 1.00 73.45 C ATOM 540 O SER A 37 1.391 -40.204 -18.956 1.00 65.42 O ATOM 541 CB SER A 37 -0.504 -40.645 -21.129 1.00 1.24 C ATOM 542 OG SER A 37 0.597 -39.875 -21.598 1.00 11.40 O ATOM 0 H SER A 37 -2.109 -42.211 -20.070 1.00 74.54 H new ATOM 0 HA SER A 37 0.720 -42.340 -20.565 1.00 42.32 H new ATOM 0 HB2 SER A 37 -1.003 -41.117 -21.975 1.00 1.24 H new ATOM 0 HB3 SER A 37 -1.232 -39.986 -20.657 1.00 1.24 H new ATOM 0 HG SER A 37 1.245 -39.755 -20.873 1.00 11.40 H new ATOM 548 N CYS A 38 0.048 -41.491 -17.687 1.00 31.04 N ATOM 549 CA CYS A 38 0.573 -40.973 -16.426 1.00 10.42 C ATOM 550 C CYS A 38 2.016 -41.440 -16.224 1.00 51.55 C ATOM 551 O CYS A 38 2.457 -42.390 -16.871 1.00 23.12 O ATOM 552 CB CYS A 38 -0.302 -41.432 -15.260 1.00 55.23 C ATOM 553 SG CYS A 38 -0.351 -43.225 -15.045 1.00 22.33 S ATOM 0 H CYS A 38 -0.694 -42.183 -17.583 1.00 31.04 H new ATOM 0 HA CYS A 38 0.560 -39.884 -16.462 1.00 10.42 H new ATOM 0 HB2 CYS A 38 0.065 -40.975 -14.341 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.317 -41.066 -15.414 1.00 55.23 H new ATOM 0 HG CYS A 38 -0.316 -43.511 -13.777 1.00 22.33 H new ATOM 559 N ASN A 39 2.746 -40.778 -15.326 1.00 72.42 N ATOM 560 CA ASN A 39 4.162 -41.091 -15.104 1.00 15.33 C ATOM 561 C ASN A 39 4.321 -42.410 -14.341 1.00 11.44 C ATOM 562 O ASN A 39 4.527 -43.462 -14.944 1.00 34.54 O ATOM 563 CB ASN A 39 4.867 -39.947 -14.352 1.00 42.12 C ATOM 564 CG ASN A 39 4.811 -38.625 -15.101 1.00 14.24 C ATOM 565 OD1 ASN A 39 4.721 -38.593 -16.330 1.00 23.53 O ATOM 566 ND2 ASN A 39 4.867 -37.522 -14.367 1.00 10.15 N ATOM 0 H ASN A 39 2.384 -40.024 -14.742 1.00 72.42 H new ATOM 0 HA ASN A 39 4.634 -41.202 -16.080 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.405 -39.824 -13.372 1.00 42.12 H new ATOM 0 HB3 ASN A 39 5.909 -40.219 -14.181 1.00 42.12 H new ATOM 0 HD21 ASN A 39 4.836 -36.607 -14.818 1.00 10.15 H new ATOM 0 HD22 ASN A 39 4.941 -37.588 -13.352 1.00 10.15 H new ATOM 573 N ASP A 40 4.202 -42.350 -13.014 1.00 2.41 N ATOM 574 CA ASP A 40 4.347 -43.536 -12.167 1.00 42.21 C ATOM 575 C ASP A 40 3.710 -43.281 -10.803 1.00 11.11 C ATOM 576 O ASP A 40 3.834 -42.184 -10.259 1.00 52.12 O ATOM 577 CB ASP A 40 5.828 -43.902 -11.994 1.00 54.20 C ATOM 578 CG ASP A 40 6.028 -45.196 -11.217 1.00 63.42 C ATOM 579 OD1 ASP A 40 6.096 -45.150 -9.968 1.00 24.22 O ATOM 580 OD2 ASP A 40 6.119 -46.267 -11.852 1.00 1.42 O1- ATOM 0 H ASP A 40 4.005 -41.491 -12.501 1.00 2.41 H new ATOM 0 HA ASP A 40 3.840 -44.371 -12.651 1.00 42.21 H new ATOM 0 HB2 ASP A 40 6.291 -43.998 -12.976 1.00 54.20 H new ATOM 0 HB3 ASP A 40 6.340 -43.090 -11.478 1.00 54.20 H new ATOM 585 N ASN A 41 3.000 -44.286 -10.282 1.00 20.22 N ATOM 586 CA ASN A 41 2.313 -44.193 -8.980 1.00 43.41 C ATOM 587 C ASN A 41 1.235 -43.098 -8.986 1.00 72.45 C ATOM 588 O ASN A 41 0.537 -42.891 -7.988 1.00 25.45 O ATOM 589 CB ASN A 41 3.332 -43.938 -7.850 1.00 53.22 C ATOM 590 CG ASN A 41 2.709 -43.976 -6.461 1.00 43.00 C ATOM 591 OD1 ASN A 41 1.731 -44.687 -6.224 1.00 12.13 O ATOM 592 ND2 ASN A 41 3.269 -43.215 -5.533 1.00 51.54 N ATOM 0 H ASN A 41 2.882 -45.187 -10.746 1.00 20.22 H new ATOM 0 HA ASN A 41 1.816 -45.146 -8.800 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.123 -44.686 -7.907 1.00 53.22 H new ATOM 0 HB3 ASN A 41 3.801 -42.966 -8.005 1.00 53.22 H new ATOM 0 HD21 ASN A 41 2.891 -43.205 -4.586 1.00 51.54 H new ATOM 0 HD22 ASN A 41 4.078 -42.639 -5.766 1.00 51.54 H new ATOM 599 N ILE A 42 1.058 -42.449 -10.134 1.00 4.44 N ATOM 600 CA ILE A 42 0.160 -41.306 -10.253 1.00 53.42 C ATOM 601 C ILE A 42 -1.283 -41.712 -9.986 1.00 61.41 C ATOM 602 O ILE A 42 -1.889 -42.446 -10.771 1.00 70.51 O ATOM 603 CB ILE A 42 0.253 -40.655 -11.658 1.00 60.24 C ATOM 604 CG1 ILE A 42 1.696 -40.208 -11.960 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.715 -39.475 -11.774 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.231 -39.162 -11.004 1.00 11.11 C ATOM 0 H ILE A 42 1.530 -42.699 -11.003 1.00 4.44 H new ATOM 0 HA ILE A 42 0.474 -40.578 -9.505 1.00 53.42 H new ATOM 0 HB ILE A 42 -0.032 -41.403 -12.398 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.349 -41.080 -11.930 1.00 24.42 H new ATOM 0 HG13 ILE A 42 1.738 -39.813 -12.975 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.633 -39.033 -12.767 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.735 -39.824 -11.615 1.00 31.35 H new ATOM 0 HG23 ILE A 42 -0.467 -38.726 -11.022 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.251 -38.901 -11.284 1.00 11.11 H new ATOM 0 HD12 ILE A 42 1.603 -38.272 -11.050 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.224 -39.559 -9.989 1.00 11.11 H new ATOM 618 N LEU A 43 -1.813 -41.257 -8.861 1.00 61.41 N ATOM 619 CA LEU A 43 -3.217 -41.441 -8.551 1.00 72.33 C ATOM 620 C LEU A 43 -4.044 -40.457 -9.371 1.00 70.42 C ATOM 621 O LEU A 43 -3.931 -39.234 -9.220 1.00 24.44 O ATOM 622 CB LEU A 43 -3.477 -41.264 -7.049 1.00 53.01 C ATOM 623 CG LEU A 43 -4.946 -41.417 -6.615 1.00 15.11 C ATOM 624 CD1 LEU A 43 -5.492 -42.787 -7.007 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.087 -41.185 -5.114 1.00 60.11 C ATOM 0 H LEU A 43 -1.286 -40.755 -8.146 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.511 -42.458 -8.811 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.876 -41.992 -6.504 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -3.128 -40.276 -6.750 1.00 53.01 H new ATOM 0 HG LEU A 43 -5.535 -40.662 -7.135 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -6.531 -42.869 -6.689 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -5.433 -42.906 -8.089 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.902 -43.566 -6.524 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -6.132 -41.297 -4.825 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -4.481 -41.913 -4.575 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -4.749 -40.178 -4.868 1.00 60.11 H new ATOM 637 N ILE A 44 -4.839 -41.008 -10.265 1.00 53.43 N ATOM 638 CA ILE A 44 -5.657 -40.233 -11.175 1.00 3.43 C ATOM 639 C ILE A 44 -7.092 -40.161 -10.672 1.00 52.32 C ATOM 640 O ILE A 44 -7.801 -41.168 -10.655 1.00 63.21 O ATOM 641 CB ILE A 44 -5.626 -40.862 -12.586 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.198 -40.803 -13.153 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.617 -40.175 -13.520 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.046 -41.456 -14.507 1.00 52.24 C ATOM 0 H ILE A 44 -4.936 -42.017 -10.381 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.253 -39.222 -11.226 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.928 -41.906 -12.507 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.891 -39.760 -13.228 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.519 -41.286 -12.450 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.571 -40.640 -14.505 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.625 -40.275 -13.118 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.364 -39.118 -13.606 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -3.011 -41.372 -14.837 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.320 -42.509 -14.436 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.698 -40.959 -15.226 1.00 52.24 H new ATOM 656 N LEU A 45 -7.504 -38.977 -10.240 1.00 65.44 N ATOM 657 CA LEU A 45 -8.871 -38.754 -9.790 1.00 1.02 C ATOM 658 C LEU A 45 -9.710 -38.239 -10.953 1.00 41.11 C ATOM 659 O LEU A 45 -9.384 -37.216 -11.551 1.00 73.21 O ATOM 660 CB LEU A 45 -8.924 -37.745 -8.627 1.00 45.12 C ATOM 661 CG LEU A 45 -8.352 -38.228 -7.277 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.841 -38.439 -7.357 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.703 -37.244 -6.160 1.00 43.24 C ATOM 0 H LEU A 45 -6.907 -38.152 -10.192 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.270 -39.703 -9.431 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.382 -36.848 -8.927 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.963 -37.453 -8.474 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.809 -39.190 -7.046 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.469 -38.779 -6.390 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.618 -39.189 -8.116 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.356 -37.500 -7.622 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -8.291 -37.602 -5.217 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.282 -36.266 -6.391 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.787 -37.162 -6.075 1.00 43.24 H new ATOM 675 N VAL A 46 -10.767 -38.957 -11.287 1.00 52.30 N ATOM 676 CA VAL A 46 -11.683 -38.542 -12.339 1.00 52.42 C ATOM 677 C VAL A 46 -12.953 -37.976 -11.711 1.00 21.23 C ATOM 678 O VAL A 46 -13.768 -38.726 -11.170 1.00 14.33 O ATOM 679 CB VAL A 46 -12.042 -39.726 -13.274 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.970 -39.270 -14.396 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.776 -40.372 -13.843 1.00 72.45 C ATOM 0 H VAL A 46 -11.016 -39.840 -10.841 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.192 -37.776 -12.940 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.569 -40.476 -12.684 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -13.208 -40.118 -15.039 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.889 -38.870 -13.968 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.477 -38.496 -14.984 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -11.052 -41.200 -14.496 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -10.215 -39.632 -14.413 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -10.159 -40.745 -13.026 1.00 72.45 H new ATOM 691 N ASP A 47 -13.096 -36.654 -11.752 1.00 11.12 N ATOM 692 CA ASP A 47 -14.242 -35.981 -11.144 1.00 51.13 C ATOM 693 C ASP A 47 -15.449 -35.978 -12.080 1.00 54.22 C ATOM 694 O ASP A 47 -15.339 -35.614 -13.254 1.00 62.13 O ATOM 695 CB ASP A 47 -13.876 -34.538 -10.767 1.00 0.54 C ATOM 696 CG ASP A 47 -15.064 -33.765 -10.203 1.00 13.50 C ATOM 697 OD1 ASP A 47 -15.415 -33.979 -9.027 1.00 30.41 O ATOM 698 OD2 ASP A 47 -15.641 -32.935 -10.938 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.430 -36.025 -12.201 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.509 -36.534 -10.243 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.072 -34.550 -10.031 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.495 -34.021 -11.647 1.00 0.54 H new ATOM 703 N PHE A 48 -16.589 -36.407 -11.548 1.00 33.43 N ATOM 704 CA PHE A 48 -17.863 -36.342 -12.255 1.00 51.34 C ATOM 705 C PHE A 48 -18.575 -35.055 -11.836 1.00 61.52 C ATOM 706 O PHE A 48 -18.965 -34.908 -10.673 1.00 13.11 O ATOM 707 CB PHE A 48 -18.718 -37.578 -11.926 1.00 65.22 C ATOM 708 CG PHE A 48 -19.927 -37.749 -12.817 1.00 13.55 C ATOM 709 CD1 PHE A 48 -21.201 -37.449 -12.357 1.00 62.52 C ATOM 710 CD2 PHE A 48 -19.783 -38.219 -14.117 1.00 12.32 C ATOM 711 CE1 PHE A 48 -22.305 -37.619 -13.171 1.00 14.23 C ATOM 712 CE2 PHE A 48 -20.885 -38.388 -14.935 1.00 3.03 C ATOM 713 CZ PHE A 48 -22.147 -38.087 -14.461 1.00 0.02 C ATOM 0 H PHE A 48 -16.655 -36.810 -10.613 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.699 -36.335 -13.333 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -18.094 -38.469 -12.004 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.050 -37.511 -10.890 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -21.332 -37.078 -11.351 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -18.798 -38.455 -14.493 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -23.291 -37.386 -12.798 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -20.759 -38.755 -15.943 1.00 3.03 H new ATOM 0 HZ PHE A 48 -23.009 -38.217 -15.098 1.00 0.02 H new ATOM 723 N TRP A 49 -18.740 -34.139 -12.787 1.00 62.40 N ATOM 724 CA TRP A 49 -19.087 -32.752 -12.481 1.00 3.51 C ATOM 725 C TRP A 49 -20.569 -32.597 -12.143 1.00 41.31 C ATOM 726 O TRP A 49 -20.923 -31.867 -11.210 1.00 63.54 O ATOM 727 CB TRP A 49 -18.717 -31.852 -13.674 1.00 40.21 C ATOM 728 CG TRP A 49 -18.426 -30.425 -13.303 1.00 42.53 C ATOM 729 CD1 TRP A 49 -18.462 -29.867 -12.055 1.00 65.23 C ATOM 730 CD2 TRP A 49 -18.037 -29.375 -14.196 1.00 72.13 C ATOM 731 NE1 TRP A 49 -18.109 -28.543 -12.121 1.00 33.30 N ATOM 732 CE2 TRP A 49 -17.852 -28.214 -13.424 1.00 34.35 C ATOM 733 CE3 TRP A 49 -17.831 -29.307 -15.578 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -17.462 -27.001 -13.985 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -17.447 -28.103 -16.135 1.00 74.34 C ATOM 736 CH2 TRP A 49 -17.268 -26.963 -15.340 1.00 43.42 C ATOM 0 H TRP A 49 -18.638 -34.334 -13.783 1.00 62.40 H new ATOM 0 HA TRP A 49 -18.519 -32.449 -11.601 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -17.843 -32.271 -14.173 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -19.535 -31.869 -14.395 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -18.729 -30.392 -11.150 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -18.048 -27.906 -11.327 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -17.970 -30.180 -16.198 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -17.318 -26.122 -13.374 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -17.282 -28.039 -17.200 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -16.971 -26.035 -15.806 1.00 43.42 H new ATOM 747 N ALA A 50 -21.416 -33.278 -12.914 1.00 41.34 N ATOM 748 CA ALA A 50 -22.871 -33.179 -12.783 1.00 51.22 C ATOM 749 C ALA A 50 -23.371 -31.809 -13.249 1.00 20.23 C ATOM 750 O ALA A 50 -22.794 -30.775 -12.900 1.00 33.32 O ATOM 751 CB ALA A 50 -23.324 -33.462 -11.354 1.00 54.33 C ATOM 0 H ALA A 50 -21.112 -33.916 -13.650 1.00 41.34 H new ATOM 0 HA ALA A 50 -23.310 -33.941 -13.427 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -24.409 -33.380 -11.293 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -23.020 -34.469 -11.069 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -22.867 -32.740 -10.678 1.00 54.33 H new ATOM 757 N PRO A 51 -24.456 -31.775 -14.052 1.00 55.40 N ATOM 758 CA PRO A 51 -25.039 -30.517 -14.539 1.00 12.22 C ATOM 759 C PRO A 51 -25.466 -29.615 -13.381 1.00 34.03 C ATOM 760 O PRO A 51 -25.421 -28.387 -13.479 1.00 2.20 O ATOM 761 CB PRO A 51 -26.254 -30.969 -15.372 1.00 62.34 C ATOM 762 CG PRO A 51 -26.528 -32.369 -14.929 1.00 64.33 C ATOM 763 CD PRO A 51 -25.190 -32.949 -14.556 1.00 24.12 C ATOM 0 HA PRO A 51 -24.330 -29.926 -15.118 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -27.115 -30.324 -15.196 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -26.038 -30.928 -16.440 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -27.211 -32.384 -14.080 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -26.997 -32.947 -15.726 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -25.283 -33.725 -13.796 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -24.691 -33.401 -15.414 1.00 24.12 H new ATOM 771 N TRP A 52 -25.868 -30.246 -12.280 1.00 52.31 N ATOM 772 CA TRP A 52 -26.268 -29.537 -11.067 1.00 61.04 C ATOM 773 C TRP A 52 -25.491 -30.101 -9.883 1.00 61.45 C ATOM 774 O TRP A 52 -25.347 -31.319 -9.761 1.00 73.15 O ATOM 775 CB TRP A 52 -27.778 -29.695 -10.820 1.00 34.34 C ATOM 776 CG TRP A 52 -28.618 -29.455 -12.042 1.00 2.33 C ATOM 777 CD1 TRP A 52 -28.787 -28.272 -12.704 1.00 55.55 C ATOM 778 CD2 TRP A 52 -29.408 -30.424 -12.744 1.00 2.31 C ATOM 779 NE1 TRP A 52 -29.628 -28.450 -13.775 1.00 21.24 N ATOM 780 CE2 TRP A 52 -30.023 -29.761 -13.821 1.00 34.23 C ATOM 781 CE3 TRP A 52 -29.653 -31.789 -12.565 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -30.865 -30.415 -14.717 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -30.490 -32.438 -13.453 1.00 4.30 C ATOM 784 CH2 TRP A 52 -31.089 -31.751 -14.518 1.00 60.21 C ATOM 0 H TRP A 52 -25.926 -31.262 -12.204 1.00 52.31 H new ATOM 0 HA TRP A 52 -26.049 -28.476 -11.185 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -27.973 -30.701 -10.448 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -28.084 -29.001 -10.038 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -28.327 -27.335 -12.426 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -29.913 -27.723 -14.431 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -29.196 -32.327 -11.747 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -31.325 -29.887 -15.539 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -30.686 -33.492 -13.324 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -31.739 -32.286 -15.194 1.00 60.21 H new ATOM 795 N CYS A 53 -24.990 -29.229 -9.018 1.00 50.22 N ATOM 796 CA CYS A 53 -24.221 -29.666 -7.861 1.00 20.35 C ATOM 797 C CYS A 53 -24.444 -28.738 -6.664 1.00 44.23 C ATOM 798 O CYS A 53 -25.283 -29.022 -5.809 1.00 40.01 O ATOM 799 CB CYS A 53 -22.730 -29.769 -8.221 1.00 43.12 C ATOM 800 SG CYS A 53 -22.075 -28.324 -9.125 1.00 63.30 S ATOM 0 H CYS A 53 -25.102 -28.218 -9.095 1.00 50.22 H new ATOM 0 HA CYS A 53 -24.571 -30.656 -7.570 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -22.155 -29.901 -7.304 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -22.575 -30.662 -8.826 1.00 43.12 H new ATOM 805 N GLY A 54 -23.725 -27.617 -6.621 1.00 43.40 N ATOM 806 CA GLY A 54 -23.797 -26.720 -5.473 1.00 13.40 C ATOM 807 C GLY A 54 -22.521 -26.761 -4.648 1.00 4.44 C ATOM 808 O GLY A 54 -21.612 -25.962 -4.879 1.00 31.03 O ATOM 0 H GLY A 54 -23.093 -27.312 -7.361 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -23.975 -25.701 -5.817 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -24.645 -26.998 -4.847 1.00 13.40 H new ATOM 812 N PRO A 55 -22.397 -27.714 -3.694 1.00 11.55 N ATOM 813 CA PRO A 55 -21.187 -27.864 -2.863 1.00 25.30 C ATOM 814 C PRO A 55 -19.931 -28.099 -3.705 1.00 32.04 C ATOM 815 O PRO A 55 -18.812 -28.075 -3.191 1.00 53.41 O ATOM 816 CB PRO A 55 -21.491 -29.091 -1.983 1.00 54.22 C ATOM 817 CG PRO A 55 -22.620 -29.790 -2.668 1.00 31.01 C ATOM 818 CD PRO A 55 -23.425 -28.709 -3.335 1.00 51.53 C ATOM 0 HA PRO A 55 -20.978 -26.962 -2.287 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.620 -29.740 -1.897 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.767 -28.792 -0.972 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -22.249 -30.509 -3.399 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.227 -30.346 -1.954 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -23.953 -29.081 -4.213 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.176 -28.291 -2.665 1.00 51.53 H new ATOM 826 N CYS A 56 -20.132 -28.335 -5.000 1.00 70.12 N ATOM 827 CA CYS A 56 -19.035 -28.482 -5.952 1.00 20.13 C ATOM 828 C CYS A 56 -18.094 -27.276 -5.883 1.00 71.35 C ATOM 829 O CYS A 56 -16.877 -27.424 -5.973 1.00 52.03 O ATOM 830 CB CYS A 56 -19.601 -28.636 -7.369 1.00 24.21 C ATOM 831 SG CYS A 56 -20.863 -27.388 -7.790 1.00 62.21 S ATOM 0 H CYS A 56 -21.058 -28.429 -5.417 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.463 -29.373 -5.695 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -18.784 -28.571 -8.087 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -20.036 -29.630 -7.471 1.00 24.21 H new ATOM 836 N ARG A 57 -18.672 -26.090 -5.688 1.00 42.14 N ATOM 837 CA ARG A 57 -17.892 -24.852 -5.601 1.00 30.24 C ATOM 838 C ARG A 57 -16.842 -24.938 -4.492 1.00 54.23 C ATOM 839 O ARG A 57 -15.777 -24.335 -4.587 1.00 53.21 O ATOM 840 CB ARG A 57 -18.811 -23.641 -5.363 1.00 42.45 C ATOM 841 CG ARG A 57 -19.640 -23.728 -4.082 1.00 14.45 C ATOM 842 CD ARG A 57 -20.492 -22.483 -3.873 1.00 71.53 C ATOM 843 NE ARG A 57 -19.670 -21.295 -3.627 1.00 20.02 N ATOM 844 CZ ARG A 57 -19.964 -20.068 -4.067 1.00 74.44 C ATOM 845 NH1 ARG A 57 -21.042 -19.855 -4.815 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -19.168 -19.052 -3.761 1.00 33.01 N ATOM 0 H ARG A 57 -19.679 -25.959 -5.587 1.00 42.14 H new ATOM 0 HA ARG A 57 -17.378 -24.720 -6.553 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -18.202 -22.738 -5.328 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -19.485 -23.538 -6.213 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -20.284 -24.606 -4.125 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -18.976 -23.861 -3.228 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.116 -22.318 -4.752 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -21.165 -22.640 -3.030 1.00 71.53 H new ATOM 0 HE ARG A 57 -18.815 -21.413 -3.083 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -21.655 -20.633 -5.059 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -21.256 -18.914 -5.145 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -18.336 -19.209 -3.192 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -19.388 -18.113 -4.094 1.00 33.01 H new ATOM 860 N SER A 58 -17.178 -25.635 -3.413 1.00 22.42 N ATOM 861 CA SER A 58 -16.232 -25.915 -2.338 1.00 70.35 C ATOM 862 C SER A 58 -15.244 -27.021 -2.746 1.00 50.02 C ATOM 863 O SER A 58 -14.016 -26.847 -2.709 1.00 63.20 O ATOM 864 CB SER A 58 -17.004 -26.322 -1.076 1.00 12.11 C ATOM 865 OG SER A 58 -18.035 -25.388 -0.794 1.00 40.31 O ATOM 0 H SER A 58 -18.109 -26.021 -3.258 1.00 22.42 H new ATOM 0 HA SER A 58 -15.653 -25.014 -2.134 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.433 -27.315 -1.211 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.320 -26.383 -0.229 1.00 12.11 H new ATOM 0 HG SER A 58 -18.517 -25.666 0.013 1.00 40.31 H new ATOM 871 N LEU A 59 -15.804 -28.160 -3.153 1.00 35.33 N ATOM 872 CA LEU A 59 -15.029 -29.383 -3.366 1.00 33.30 C ATOM 873 C LEU A 59 -14.011 -29.261 -4.496 1.00 51.22 C ATOM 874 O LEU A 59 -12.891 -29.730 -4.351 1.00 44.13 O ATOM 875 CB LEU A 59 -15.956 -30.583 -3.608 1.00 34.51 C ATOM 876 CG LEU A 59 -16.473 -31.274 -2.335 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.307 -31.786 -1.491 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.354 -30.332 -1.516 1.00 63.33 C ATOM 0 H LEU A 59 -16.801 -28.261 -3.343 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.462 -29.546 -2.450 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -16.812 -30.249 -4.195 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.423 -31.318 -4.211 1.00 34.51 H new ATOM 0 HG LEU A 59 -17.082 -32.125 -2.639 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.692 -32.272 -0.595 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.725 -32.503 -2.071 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.670 -30.949 -1.205 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.705 -30.847 -0.622 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.777 -29.454 -1.226 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.210 -30.021 -2.115 1.00 63.33 H new ATOM 890 N GLU A 60 -14.387 -28.640 -5.609 1.00 25.40 N ATOM 891 CA GLU A 60 -13.486 -28.545 -6.760 1.00 51.24 C ATOM 892 C GLU A 60 -12.164 -27.852 -6.380 1.00 31.13 C ATOM 893 O GLU A 60 -11.094 -28.421 -6.596 1.00 60.23 O ATOM 894 CB GLU A 60 -14.174 -27.855 -7.955 1.00 44.05 C ATOM 895 CG GLU A 60 -15.333 -28.667 -8.536 1.00 51.15 C ATOM 896 CD GLU A 60 -15.970 -28.014 -9.753 1.00 40.34 C ATOM 897 OE1 GLU A 60 -17.038 -27.378 -9.610 1.00 65.12 O ATOM 898 OE2 GLU A 60 -15.406 -28.136 -10.864 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.297 -28.199 -5.742 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.239 -29.559 -7.074 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -14.545 -26.880 -7.639 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -13.436 -27.677 -8.737 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -14.972 -29.658 -8.810 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.093 -28.806 -7.767 1.00 51.15 H new ATOM 905 N PRO A 61 -12.195 -26.631 -5.788 1.00 40.44 N ATOM 906 CA PRO A 61 -10.973 -25.981 -5.296 1.00 20.54 C ATOM 907 C PRO A 61 -10.327 -26.755 -4.141 1.00 64.23 C ATOM 908 O PRO A 61 -9.107 -26.685 -3.951 1.00 41.33 O ATOM 909 CB PRO A 61 -11.440 -24.591 -4.842 1.00 61.44 C ATOM 910 CG PRO A 61 -12.901 -24.740 -4.605 1.00 3.54 C ATOM 911 CD PRO A 61 -13.380 -25.778 -5.587 1.00 61.33 C ATOM 0 HA PRO A 61 -10.203 -25.936 -6.066 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -10.922 -24.276 -3.936 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.237 -23.837 -5.603 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.100 -25.052 -3.580 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.419 -23.793 -4.756 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.222 -26.347 -5.192 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -13.712 -25.325 -6.521 1.00 61.33 H new ATOM 919 N GLN A 62 -11.132 -27.496 -3.366 1.00 1.31 N ATOM 920 CA GLN A 62 -10.568 -28.379 -2.339 1.00 64.23 C ATOM 921 C GLN A 62 -9.747 -29.494 -2.997 1.00 72.30 C ATOM 922 O GLN A 62 -8.673 -29.862 -2.513 1.00 45.13 O ATOM 923 CB GLN A 62 -11.657 -28.973 -1.430 1.00 52.44 C ATOM 924 CG GLN A 62 -12.290 -27.955 -0.485 1.00 75.21 C ATOM 925 CD GLN A 62 -13.206 -28.594 0.547 1.00 5.22 C ATOM 926 OE1 GLN A 62 -12.774 -28.949 1.640 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.476 -28.751 0.202 1.00 34.41 N ATOM 0 H GLN A 62 -12.150 -27.502 -3.428 1.00 1.31 H new ATOM 0 HA GLN A 62 -9.914 -27.778 -1.707 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.437 -29.412 -2.052 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.225 -29.782 -0.841 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.502 -27.404 0.028 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -12.858 -27.230 -1.068 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -14.797 -28.443 -0.716 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.132 -29.180 0.854 1.00 34.41 H new ATOM 936 N LEU A 63 -10.249 -30.000 -4.125 1.00 4.32 N ATOM 937 CA LEU A 63 -9.560 -31.035 -4.890 1.00 24.11 C ATOM 938 C LEU A 63 -8.305 -30.451 -5.518 1.00 34.30 C ATOM 939 O LEU A 63 -7.259 -31.095 -5.550 1.00 14.04 O ATOM 940 CB LEU A 63 -10.481 -31.610 -5.979 1.00 72.32 C ATOM 941 CG LEU A 63 -11.710 -32.378 -5.467 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.610 -32.791 -6.629 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.284 -33.599 -4.648 1.00 74.14 C ATOM 0 H LEU A 63 -11.138 -29.705 -4.530 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.283 -31.846 -4.216 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -10.823 -30.791 -6.611 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -9.895 -32.277 -6.611 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.279 -31.715 -4.815 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.474 -33.333 -6.245 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -12.947 -31.902 -7.162 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.052 -33.433 -7.311 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.170 -34.128 -4.296 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.688 -34.265 -5.271 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.691 -33.275 -3.793 1.00 74.14 H new ATOM 955 N GLU A 64 -8.429 -29.218 -6.007 1.00 4.53 N ATOM 956 CA GLU A 64 -7.297 -28.466 -6.545 1.00 14.32 C ATOM 957 C GLU A 64 -6.169 -28.408 -5.520 1.00 63.35 C ATOM 958 O GLU A 64 -5.014 -28.709 -5.829 1.00 10.34 O ATOM 959 CB GLU A 64 -7.750 -27.046 -6.914 1.00 61.33 C ATOM 960 CG GLU A 64 -8.719 -26.996 -8.090 1.00 42.54 C ATOM 961 CD GLU A 64 -8.015 -26.931 -9.429 1.00 13.44 C ATOM 962 OE1 GLU A 64 -7.966 -25.835 -10.027 1.00 52.13 O ATOM 963 OE2 GLU A 64 -7.501 -27.965 -9.887 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.315 -28.713 -6.041 1.00 4.53 H new ATOM 0 HA GLU A 64 -6.928 -28.967 -7.440 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.223 -26.588 -6.045 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -6.872 -26.445 -7.152 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -9.360 -27.877 -8.064 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -9.368 -26.127 -7.983 1.00 42.54 H new ATOM 970 N LYS A 65 -6.524 -28.038 -4.290 1.00 0.43 N ATOM 971 CA LYS A 65 -5.563 -27.958 -3.198 1.00 4.21 C ATOM 972 C LYS A 65 -4.821 -29.279 -3.033 1.00 63.22 C ATOM 973 O LYS A 65 -3.588 -29.315 -3.028 1.00 64.34 O ATOM 974 CB LYS A 65 -6.266 -27.580 -1.887 1.00 2.10 C ATOM 975 CG LYS A 65 -5.356 -27.648 -0.662 1.00 73.25 C ATOM 976 CD LYS A 65 -6.029 -27.099 0.597 1.00 53.43 C ATOM 977 CE LYS A 65 -6.430 -25.635 0.440 1.00 74.54 C ATOM 978 NZ LYS A 65 -5.266 -24.763 0.134 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.477 -27.788 -4.027 1.00 0.43 H new ATOM 0 HA LYS A 65 -4.838 -27.182 -3.443 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.665 -26.570 -1.977 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.116 -28.246 -1.735 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.060 -28.683 -0.490 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.444 -27.084 -0.859 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -6.913 -27.695 0.824 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -5.350 -27.200 1.444 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -7.168 -25.546 -0.357 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -6.908 -25.291 1.357 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -5.556 -23.766 0.186 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -4.509 -24.940 0.824 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -4.918 -24.972 -0.823 1.00 62.51 H new ATOM 992 N LEU A 66 -5.574 -30.368 -2.918 1.00 12.42 N ATOM 993 CA LEU A 66 -4.972 -31.683 -2.745 1.00 2.43 C ATOM 994 C LEU A 66 -4.175 -32.063 -3.990 1.00 60.12 C ATOM 995 O LEU A 66 -3.133 -32.708 -3.898 1.00 51.14 O ATOM 996 CB LEU A 66 -6.043 -32.743 -2.443 1.00 45.35 C ATOM 997 CG LEU A 66 -6.998 -32.392 -1.290 1.00 74.51 C ATOM 998 CD1 LEU A 66 -8.036 -33.492 -1.092 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.220 -32.137 0.002 1.00 41.11 C ATOM 0 H LEU A 66 -6.594 -30.366 -2.941 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.293 -31.642 -1.893 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.632 -32.910 -3.345 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.545 -33.684 -2.209 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.524 -31.475 -1.553 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.700 -33.222 -0.271 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.618 -33.612 -2.006 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.532 -34.430 -0.857 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -6.916 -31.891 0.803 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.659 -33.032 0.271 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.530 -31.307 -0.147 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.651 -31.622 -5.147 1.00 43.32 N ATOM 1012 CA ALA A 67 -3.992 -31.908 -6.415 1.00 1.23 C ATOM 1013 C ALA A 67 -2.704 -31.102 -6.555 1.00 3.40 C ATOM 1014 O ALA A 67 -1.886 -31.383 -7.423 1.00 21.23 O ATOM 1015 CB ALA A 67 -4.933 -31.619 -7.579 1.00 34.31 C ATOM 0 H ALA A 67 -5.498 -31.060 -5.233 1.00 43.32 H new ATOM 0 HA ALA A 67 -3.731 -32.966 -6.432 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.427 -31.837 -8.519 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -5.822 -32.244 -7.492 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.224 -30.569 -7.559 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.542 -30.085 -5.711 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.316 -29.288 -5.684 1.00 34.53 C ATOM 1023 C GLN A 68 -0.341 -29.833 -4.640 1.00 14.40 C ATOM 1024 O GLN A 68 0.869 -29.877 -4.867 1.00 34.01 O ATOM 1025 CB GLN A 68 -1.641 -27.816 -5.397 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.450 -27.142 -6.502 1.00 63.23 C ATOM 1027 CD GLN A 68 -2.880 -25.732 -6.143 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.087 -25.409 -4.975 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -3.023 -24.882 -7.148 1.00 35.24 N ATOM 0 H GLN A 68 -3.247 -29.792 -5.034 1.00 30.24 H new ATOM 0 HA GLN A 68 -0.842 -29.355 -6.663 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.196 -27.751 -4.461 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -0.710 -27.268 -5.254 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -1.855 -27.114 -7.415 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.334 -27.743 -6.716 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -2.842 -25.188 -8.104 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -3.314 -23.922 -6.966 1.00 35.24 H new ATOM 1038 N GLN A 69 -0.877 -30.253 -3.498 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.069 -30.840 -2.428 1.00 22.40 C ATOM 1040 C GLN A 69 0.455 -32.212 -2.851 1.00 3.21 C ATOM 1041 O GLN A 69 1.566 -32.613 -2.502 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.914 -30.965 -1.151 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.206 -31.666 0.002 1.00 32.44 C ATOM 1044 CD GLN A 69 -1.063 -31.746 1.252 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -0.957 -30.743 2.105 1.00 65.51 O flip ATOM 1046 NE2 GLN A 69 -1.816 -32.698 1.448 1.00 31.30 N flip ATOM 0 H GLN A 69 -1.873 -30.198 -3.287 1.00 23.22 H new ATOM 0 HA GLN A 69 0.784 -30.191 -2.230 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.212 -29.968 -0.827 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.828 -31.510 -1.386 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.074 -32.673 -0.307 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.718 -31.135 0.233 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.870 -33.454 0.766 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -2.386 -32.732 2.293 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.359 -32.907 -3.625 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.074 -34.267 -4.076 1.00 60.14 C ATOM 1057 C TYR A 70 0.351 -34.294 -5.549 1.00 40.42 C ATOM 1058 O TYR A 70 0.510 -35.360 -6.134 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.290 -35.171 -3.837 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.660 -35.328 -2.368 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.937 -35.016 -1.906 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.728 -35.782 -1.441 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.270 -35.153 -0.571 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -1.055 -35.922 -0.104 1.00 4.24 C ATOM 1065 CZ TYR A 70 -2.328 -35.607 0.326 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.659 -35.748 1.658 1.00 12.52 O ATOM 0 H TYR A 70 -1.249 -32.543 -3.965 1.00 14.41 H new ATOM 0 HA TYR A 70 0.763 -34.649 -3.492 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.145 -34.764 -4.376 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -1.087 -36.156 -4.258 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.681 -34.660 -2.604 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.270 -36.030 -1.771 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.265 -34.905 -0.233 1.00 62.24 H new ATOM 0 HE2 TYR A 70 -0.317 -36.276 0.600 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.882 -36.079 2.155 1.00 12.52 H new ATOM 1076 N THR A 71 0.521 -33.109 -6.138 1.00 61.35 N ATOM 1077 CA THR A 71 0.694 -32.943 -7.593 1.00 51.44 C ATOM 1078 C THR A 71 1.815 -33.812 -8.183 1.00 2.11 C ATOM 1079 O THR A 71 1.811 -34.086 -9.385 1.00 63.31 O ATOM 1080 CB THR A 71 1.004 -31.460 -7.937 1.00 32.42 C ATOM 1081 OG1 THR A 71 1.068 -31.271 -9.360 1.00 20.15 O ATOM 1082 CG2 THR A 71 2.320 -31.008 -7.307 1.00 4.22 C ATOM 0 H THR A 71 0.544 -32.230 -5.622 1.00 61.35 H new ATOM 0 HA THR A 71 -0.249 -33.264 -8.036 1.00 51.44 H new ATOM 0 HB THR A 71 0.194 -30.856 -7.528 1.00 32.42 H new ATOM 0 HG1 THR A 71 1.325 -30.346 -9.556 1.00 20.15 H new ATOM 0 HG21 THR A 71 2.509 -29.966 -7.566 1.00 4.22 H new ATOM 0 HG22 THR A 71 2.257 -31.107 -6.223 1.00 4.22 H new ATOM 0 HG23 THR A 71 3.134 -31.628 -7.681 1.00 4.22 H new ATOM 1090 N GLU A 72 2.765 -34.239 -7.362 1.00 51.24 N ATOM 1091 CA GLU A 72 3.876 -35.056 -7.854 1.00 74.02 C ATOM 1092 C GLU A 72 3.449 -36.510 -8.045 1.00 60.10 C ATOM 1093 O GLU A 72 4.052 -37.247 -8.827 1.00 53.34 O ATOM 1094 CB GLU A 72 5.072 -34.974 -6.900 1.00 21.44 C ATOM 1095 CG GLU A 72 5.600 -33.557 -6.716 1.00 35.12 C ATOM 1096 CD GLU A 72 6.845 -33.498 -5.852 1.00 32.11 C ATOM 1097 OE1 GLU A 72 6.745 -33.767 -4.635 1.00 53.51 O ATOM 1098 OE2 GLU A 72 7.931 -33.167 -6.379 1.00 0.13 O1- ATOM 0 H GLU A 72 2.793 -34.038 -6.362 1.00 51.24 H new ATOM 0 HA GLU A 72 4.176 -34.660 -8.824 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.781 -35.375 -5.929 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.874 -35.607 -7.279 1.00 21.44 H new ATOM 0 HG2 GLU A 72 5.821 -33.128 -7.693 1.00 35.12 H new ATOM 0 HG3 GLU A 72 4.822 -32.940 -6.266 1.00 35.12 H new ATOM 1105 N ASN A 73 2.397 -36.910 -7.335 1.00 54.34 N ATOM 1106 CA ASN A 73 1.917 -38.294 -7.362 1.00 53.33 C ATOM 1107 C ASN A 73 0.423 -38.363 -7.689 1.00 50.23 C ATOM 1108 O ASN A 73 -0.171 -39.440 -7.649 1.00 40.15 O ATOM 1109 CB ASN A 73 2.171 -38.975 -6.002 1.00 52.25 C ATOM 1110 CG ASN A 73 3.649 -39.158 -5.683 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.474 -39.367 -6.572 1.00 52.33 O ATOM 1112 ND2 ASN A 73 3.998 -39.077 -4.406 1.00 3.30 N ATOM 0 H ASN A 73 1.856 -36.293 -6.729 1.00 54.34 H new ATOM 0 HA ASN A 73 2.468 -38.816 -8.145 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.708 -38.380 -5.214 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.682 -39.949 -5.995 1.00 52.25 H new ATOM 0 HD21 ASN A 73 4.975 -39.189 -4.136 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.289 -38.903 -3.694 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.187 -37.221 -8.008 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.633 -37.159 -8.266 1.00 72.51 C ATOM 1121 C VAL A 74 -1.955 -36.237 -9.440 1.00 33.41 C ATOM 1122 O VAL A 74 -1.289 -35.219 -9.642 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.411 -36.666 -7.011 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.883 -36.397 -7.330 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.300 -37.674 -5.873 1.00 50.05 C ATOM 0 H VAL A 74 0.294 -36.326 -8.095 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.948 -38.173 -8.512 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.955 -35.727 -6.697 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.394 -36.055 -6.430 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.954 -35.630 -8.101 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.352 -37.314 -7.686 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.852 -37.307 -5.007 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.717 -38.629 -6.191 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.252 -37.807 -5.606 1.00 50.05 H new ATOM 1135 N LYS A 75 -2.983 -36.603 -10.210 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.489 -35.755 -11.289 1.00 20.41 C ATOM 1137 C LYS A 75 -4.992 -35.980 -11.458 1.00 63.15 C ATOM 1138 O LYS A 75 -5.445 -37.118 -11.576 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.754 -36.042 -12.610 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.072 -35.045 -13.730 1.00 15.44 C ATOM 1141 CD LYS A 75 -2.625 -33.626 -13.369 1.00 32.33 C ATOM 1142 CE LYS A 75 -2.786 -32.647 -14.535 1.00 62.53 C ATOM 1143 NZ LYS A 75 -4.212 -32.424 -14.909 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.483 -37.486 -10.104 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.307 -34.713 -11.025 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.680 -36.035 -12.425 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.013 -37.046 -12.947 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.577 -35.360 -14.649 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -4.144 -35.050 -13.928 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -3.206 -33.271 -12.518 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -1.581 -33.646 -13.057 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -2.332 -31.693 -14.268 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -2.243 -33.027 -15.400 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -4.269 -31.679 -15.633 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -4.614 -33.306 -15.287 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -4.750 -32.132 -14.068 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.763 -34.896 -11.448 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.219 -34.983 -11.567 1.00 43.12 C ATOM 1159 C ILE A 76 -7.679 -34.603 -12.976 1.00 51.15 C ATOM 1160 O ILE A 76 -7.083 -33.734 -13.630 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.928 -34.070 -10.528 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.397 -34.362 -9.115 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.448 -34.256 -10.582 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -8.059 -33.548 -8.021 1.00 73.14 C ATOM 0 H ILE A 76 -5.405 -33.945 -11.359 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.495 -36.019 -11.369 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.708 -33.032 -10.777 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.536 -35.421 -8.899 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.324 -34.171 -9.096 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.920 -33.606 -9.845 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.811 -34.000 -11.578 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.696 -35.294 -10.362 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.627 -33.815 -7.057 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.898 -32.487 -8.209 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.129 -33.756 -8.009 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.732 -35.270 -13.439 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.326 -35.001 -14.741 1.00 12.22 C ATOM 1178 C TYR A 77 -10.826 -34.747 -14.593 1.00 34.33 C ATOM 1179 O TYR A 77 -11.415 -35.010 -13.541 1.00 1.44 O ATOM 1180 CB TYR A 77 -9.092 -36.173 -15.708 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.632 -36.422 -16.048 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.885 -37.360 -15.350 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -7.004 -35.720 -17.070 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.557 -37.593 -15.657 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.677 -35.947 -17.382 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.959 -36.884 -16.672 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.641 -37.112 -16.982 1.00 22.34 O ATOM 0 H TYR A 77 -9.197 -36.014 -12.919 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.847 -34.113 -15.153 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.510 -37.079 -15.270 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.640 -35.982 -16.631 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.350 -37.919 -14.551 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.563 -34.985 -17.630 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.993 -38.328 -15.102 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.205 -35.392 -18.179 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.374 -36.529 -17.723 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.427 -34.248 -15.661 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.848 -33.941 -15.710 1.00 3.41 C ATOM 1199 C LYS A 78 -13.398 -34.435 -17.043 1.00 25.15 C ATOM 1200 O LYS A 78 -13.076 -33.872 -18.092 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.064 -32.419 -15.587 1.00 53.32 C ATOM 1202 CG LYS A 78 -14.534 -31.991 -15.546 1.00 32.43 C ATOM 1203 CD LYS A 78 -15.091 -31.945 -14.122 1.00 31.14 C ATOM 1204 CE LYS A 78 -14.538 -30.759 -13.331 1.00 3.31 C ATOM 1205 NZ LYS A 78 -15.203 -30.609 -12.007 1.00 62.33 N1+ ATOM 0 H LYS A 78 -10.935 -34.042 -16.530 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.364 -34.431 -14.885 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -12.570 -32.066 -14.682 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -12.578 -31.926 -16.429 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -14.636 -31.007 -16.004 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -15.128 -32.684 -16.143 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -16.178 -31.881 -14.160 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -14.844 -32.873 -13.606 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -13.466 -30.890 -13.185 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -14.672 -29.845 -13.909 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -14.871 -29.736 -11.549 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -16.233 -30.560 -12.140 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -14.970 -31.426 -11.407 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.190 -35.503 -17.016 1.00 35.25 N ATOM 1220 CA ILE A 79 -14.743 -36.056 -18.249 1.00 51.22 C ATOM 1221 C ILE A 79 -15.887 -35.180 -18.758 1.00 13.33 C ATOM 1222 O ILE A 79 -16.816 -34.857 -18.020 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.223 -37.532 -18.110 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -16.389 -37.681 -17.104 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -14.056 -38.439 -17.724 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -16.008 -37.508 -15.646 1.00 50.20 C ATOM 0 H ILE A 79 -14.461 -35.998 -16.166 1.00 35.25 H new ATOM 0 HA ILE A 79 -13.927 -36.062 -18.972 1.00 51.22 H new ATOM 0 HB ILE A 79 -15.604 -37.840 -19.084 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -17.158 -36.949 -17.352 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -16.835 -38.667 -17.232 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -14.409 -39.466 -17.631 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -13.286 -38.388 -18.493 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -13.640 -38.111 -16.772 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -16.893 -37.631 -15.022 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -15.265 -38.257 -15.373 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -15.592 -36.512 -15.494 1.00 50.20 H new ATOM 1238 N ASN A 80 -15.808 -34.796 -20.026 1.00 52.33 N ATOM 1239 CA ASN A 80 -16.799 -33.907 -20.636 1.00 2.04 C ATOM 1240 C ASN A 80 -17.936 -34.722 -21.267 1.00 60.11 C ATOM 1241 O ASN A 80 -18.673 -34.238 -22.125 1.00 23.20 O ATOM 1242 CB ASN A 80 -16.109 -33.005 -21.679 1.00 23.44 C ATOM 1243 CG ASN A 80 -16.991 -31.859 -22.155 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -17.716 -32.079 -23.235 1.00 32.04 O flip ATOM 1245 ND2 ASN A 80 -17.004 -30.776 -21.566 1.00 24.31 N flip ATOM 0 H ASN A 80 -15.063 -35.087 -20.659 1.00 52.33 H new ATOM 0 HA ASN A 80 -17.239 -33.273 -19.866 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -15.194 -32.597 -21.249 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -15.816 -33.610 -22.537 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -16.430 -30.641 -20.733 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -17.588 -30.015 -21.911 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.095 -35.962 -20.811 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.160 -36.844 -21.294 1.00 54.13 C ATOM 1254 C ILE A 81 -20.374 -36.749 -20.366 1.00 65.23 C ATOM 1255 O ILE A 81 -21.135 -37.703 -20.205 1.00 21.40 O ATOM 1256 CB ILE A 81 -18.670 -38.316 -21.392 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -18.240 -38.846 -20.012 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -17.521 -38.427 -22.396 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -17.763 -40.287 -20.027 1.00 64.23 C ATOM 0 H ILE A 81 -17.495 -36.384 -20.102 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.446 -36.520 -22.295 1.00 54.13 H new ATOM 0 HB ILE A 81 -19.499 -38.930 -21.743 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.442 -38.214 -19.624 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -19.080 -38.759 -19.323 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -17.188 -39.463 -22.454 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -17.863 -38.100 -23.378 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -16.693 -37.797 -22.072 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -17.478 -40.586 -19.018 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -18.566 -40.932 -20.384 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -16.902 -40.378 -20.689 1.00 64.23 H new ATOM 1271 N GLU A 82 -20.558 -35.555 -19.807 1.00 34.03 N ATOM 1272 CA GLU A 82 -21.588 -35.285 -18.804 1.00 12.21 C ATOM 1273 C GLU A 82 -22.996 -35.556 -19.353 1.00 64.13 C ATOM 1274 O GLU A 82 -23.953 -35.709 -18.598 1.00 42.22 O ATOM 1275 CB GLU A 82 -21.466 -33.817 -18.355 1.00 14.33 C ATOM 1276 CG GLU A 82 -22.183 -33.495 -17.049 1.00 12.32 C ATOM 1277 CD GLU A 82 -21.622 -34.274 -15.868 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -20.436 -34.075 -15.522 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -22.374 -35.064 -15.266 1.00 51.21 O1- ATOM 0 H GLU A 82 -19.991 -34.739 -20.039 1.00 34.03 H new ATOM 0 HA GLU A 82 -21.437 -35.953 -17.956 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -20.410 -33.570 -18.246 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -21.864 -33.175 -19.141 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -22.101 -32.427 -16.847 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -23.244 -33.719 -17.156 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.116 -35.604 -20.677 1.00 63.52 N ATOM 1287 CA ASP A 83 -24.407 -35.828 -21.328 1.00 11.04 C ATOM 1288 C ASP A 83 -24.684 -37.319 -21.533 1.00 33.50 C ATOM 1289 O ASP A 83 -25.678 -37.687 -22.164 1.00 21.21 O ATOM 1290 CB ASP A 83 -24.456 -35.101 -22.678 1.00 23.45 C ATOM 1291 CG ASP A 83 -24.327 -33.593 -22.534 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -23.189 -33.085 -22.556 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -25.365 -32.907 -22.388 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.334 -35.491 -21.323 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.179 -35.427 -20.671 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -23.653 -35.472 -23.316 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -25.395 -35.336 -23.179 1.00 23.45 H new ATOM 1298 N ASN A 84 -23.813 -38.174 -21.001 1.00 32.21 N ATOM 1299 CA ASN A 84 -23.965 -39.625 -21.136 1.00 13.34 C ATOM 1300 C ASN A 84 -24.175 -40.266 -19.765 1.00 61.05 C ATOM 1301 O ASN A 84 -23.217 -40.662 -19.096 1.00 23.22 O ATOM 1302 CB ASN A 84 -22.739 -40.239 -21.840 1.00 61.11 C ATOM 1303 CG ASN A 84 -22.874 -41.741 -22.070 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -23.983 -42.268 -22.172 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -21.750 -42.438 -22.174 1.00 3.45 N ATOM 0 H ASN A 84 -22.991 -37.887 -20.470 1.00 32.21 H new ATOM 0 HA ASN A 84 -24.843 -39.824 -21.750 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -22.591 -39.742 -22.799 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -21.849 -40.047 -21.241 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -21.787 -43.443 -22.344 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -20.849 -41.969 -22.084 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.440 -40.358 -19.351 1.00 14.34 N ATOM 1313 CA GLN A 85 -25.794 -40.874 -18.028 1.00 73.43 C ATOM 1314 C GLN A 85 -25.485 -42.363 -17.907 1.00 30.44 C ATOM 1315 O GLN A 85 -25.320 -42.880 -16.800 1.00 11.40 O ATOM 1316 CB GLN A 85 -27.281 -40.627 -17.731 1.00 62.01 C ATOM 1317 CG GLN A 85 -27.675 -39.153 -17.734 1.00 14.43 C ATOM 1318 CD GLN A 85 -26.848 -38.321 -16.765 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -25.806 -37.782 -17.130 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -27.301 -38.210 -15.524 1.00 22.33 N ATOM 0 H GLN A 85 -26.241 -40.080 -19.918 1.00 14.34 H new ATOM 0 HA GLN A 85 -25.188 -40.338 -17.297 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -27.882 -41.155 -18.471 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -27.523 -41.056 -16.759 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -27.559 -38.752 -18.741 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -28.730 -39.063 -17.475 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -28.170 -38.671 -15.255 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -26.780 -37.664 -14.838 1.00 22.33 H new ATOM 1329 N ASP A 86 -25.395 -43.043 -19.047 1.00 11.41 N ATOM 1330 CA ASP A 86 -25.120 -44.480 -19.070 1.00 44.11 C ATOM 1331 C ASP A 86 -23.907 -44.808 -18.200 1.00 63.32 C ATOM 1332 O ASP A 86 -23.942 -45.734 -17.387 1.00 33.14 O ATOM 1333 CB ASP A 86 -24.880 -44.952 -20.508 1.00 54.34 C ATOM 1334 CG ASP A 86 -24.528 -46.430 -20.588 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -25.454 -47.268 -20.611 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -23.323 -46.761 -20.639 1.00 5.23 O1- ATOM 0 H ASP A 86 -25.508 -42.623 -19.969 1.00 11.41 H new ATOM 0 HA ASP A 86 -25.988 -45.003 -18.668 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -25.774 -44.763 -21.103 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -24.074 -44.366 -20.949 1.00 54.34 H new ATOM 1341 N VAL A 87 -22.851 -44.014 -18.356 1.00 53.31 N ATOM 1342 CA VAL A 87 -21.628 -44.187 -17.577 1.00 43.31 C ATOM 1343 C VAL A 87 -21.918 -44.036 -16.083 1.00 71.01 C ATOM 1344 O VAL A 87 -21.326 -44.727 -15.253 1.00 44.23 O ATOM 1345 CB VAL A 87 -20.543 -43.165 -18.005 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -19.265 -43.333 -17.178 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -20.242 -43.293 -19.497 1.00 22.14 C ATOM 0 H VAL A 87 -22.818 -43.240 -19.019 1.00 53.31 H new ATOM 0 HA VAL A 87 -21.252 -45.192 -17.769 1.00 43.31 H new ATOM 0 HB VAL A 87 -20.932 -42.165 -17.816 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -18.524 -42.603 -17.502 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -19.491 -43.178 -16.123 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -18.869 -44.339 -17.320 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -19.478 -42.568 -19.778 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -19.882 -44.300 -19.711 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -21.150 -43.103 -20.069 1.00 22.14 H new ATOM 1357 N ALA A 88 -22.858 -43.154 -15.749 1.00 74.24 N ATOM 1358 CA ALA A 88 -23.204 -42.898 -14.357 1.00 11.24 C ATOM 1359 C ALA A 88 -23.842 -44.140 -13.739 1.00 40.14 C ATOM 1360 O ALA A 88 -23.408 -44.623 -12.692 1.00 31.23 O ATOM 1361 CB ALA A 88 -24.137 -41.692 -14.248 1.00 44.41 C ATOM 0 H ALA A 88 -23.392 -42.606 -16.424 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.293 -42.667 -13.805 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -24.384 -41.517 -13.201 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -23.642 -40.811 -14.656 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -25.051 -41.887 -14.809 1.00 44.41 H new ATOM 1367 N THR A 89 -24.853 -44.669 -14.416 1.00 43.13 N ATOM 1368 CA THR A 89 -25.567 -45.848 -13.944 1.00 3.03 C ATOM 1369 C THR A 89 -24.629 -47.054 -13.851 1.00 72.34 C ATOM 1370 O THR A 89 -24.658 -47.807 -12.874 1.00 54.24 O ATOM 1371 CB THR A 89 -26.753 -46.170 -14.879 1.00 23.32 C ATOM 1372 OG1 THR A 89 -27.566 -44.996 -15.038 1.00 72.42 O ATOM 1373 CG2 THR A 89 -27.605 -47.314 -14.331 1.00 3.52 C ATOM 0 H THR A 89 -25.199 -44.297 -15.300 1.00 43.13 H new ATOM 0 HA THR A 89 -25.951 -45.633 -12.947 1.00 3.03 H new ATOM 0 HB THR A 89 -26.352 -46.483 -15.843 1.00 23.32 H new ATOM 0 HG1 THR A 89 -28.319 -45.197 -15.633 1.00 72.42 H new ATOM 0 HG21 THR A 89 -28.430 -47.513 -15.015 1.00 3.52 H new ATOM 0 HG22 THR A 89 -26.992 -48.210 -14.232 1.00 3.52 H new ATOM 0 HG23 THR A 89 -28.002 -47.037 -13.354 1.00 3.52 H new ATOM 1381 N GLN A 90 -23.775 -47.212 -14.861 1.00 45.13 N ATOM 1382 CA GLN A 90 -22.825 -48.320 -14.903 1.00 11.14 C ATOM 1383 C GLN A 90 -21.838 -48.243 -13.736 1.00 24.42 C ATOM 1384 O GLN A 90 -21.644 -49.219 -13.008 1.00 33.43 O ATOM 1385 CB GLN A 90 -22.076 -48.324 -16.244 1.00 21.33 C ATOM 1386 CG GLN A 90 -22.951 -48.688 -17.441 1.00 23.40 C ATOM 1387 CD GLN A 90 -23.653 -50.025 -17.276 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -24.781 -50.094 -16.783 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -22.985 -51.098 -17.669 1.00 52.44 N ATOM 0 H GLN A 90 -23.722 -46.584 -15.663 1.00 45.13 H new ATOM 0 HA GLN A 90 -23.382 -49.252 -14.809 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -21.643 -47.338 -16.410 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -21.248 -49.030 -16.184 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -23.697 -47.908 -17.590 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -22.335 -48.715 -18.340 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -22.053 -50.999 -18.072 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -23.402 -52.023 -17.568 1.00 52.44 H new ATOM 1398 N TYR A 91 -21.231 -47.074 -13.551 1.00 23.00 N ATOM 1399 CA TYR A 91 -20.234 -46.882 -12.494 1.00 63.04 C ATOM 1400 C TYR A 91 -20.895 -46.583 -11.148 1.00 53.41 C ATOM 1401 O TYR A 91 -20.215 -46.463 -10.127 1.00 53.15 O ATOM 1402 CB TYR A 91 -19.245 -45.776 -12.889 1.00 50.03 C ATOM 1403 CG TYR A 91 -18.286 -46.202 -13.990 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -16.933 -46.399 -13.728 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -18.738 -46.429 -15.287 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -16.065 -46.810 -14.722 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -17.874 -46.835 -16.286 1.00 43.30 C ATOM 1408 CZ TYR A 91 -16.538 -47.024 -15.998 1.00 51.11 C ATOM 1409 OH TYR A 91 -15.675 -47.441 -16.987 1.00 21.33 O ATOM 0 H TYR A 91 -21.410 -46.244 -14.117 1.00 23.00 H new ATOM 0 HA TYR A 91 -19.679 -47.813 -12.378 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -19.802 -44.899 -13.219 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -18.672 -45.478 -12.011 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -16.555 -46.228 -12.731 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -19.783 -46.285 -15.517 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -15.019 -46.963 -14.499 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -18.243 -47.004 -17.287 1.00 43.30 H new ATOM 0 HH TYR A 91 -16.167 -47.546 -17.828 1.00 21.33 H new ATOM 1419 N GLY A 92 -22.219 -46.448 -11.158 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.978 -46.374 -9.920 1.00 65.55 C ATOM 1421 C GLY A 92 -22.906 -45.020 -9.247 1.00 41.00 C ATOM 1422 O GLY A 92 -22.910 -44.930 -8.017 1.00 12.12 O ATOM 0 H GLY A 92 -22.782 -46.388 -12.006 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -24.021 -46.612 -10.128 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -22.609 -47.133 -9.231 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.850 -43.963 -10.047 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.858 -42.606 -9.521 1.00 13.34 C ATOM 1428 C VAL A 93 -24.218 -42.283 -8.904 1.00 30.02 C ATOM 1429 O VAL A 93 -25.264 -42.520 -9.518 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.546 -41.563 -10.618 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.623 -40.148 -10.047 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.175 -41.827 -11.242 1.00 13.21 C ATOM 0 H VAL A 93 -22.798 -44.021 -11.064 1.00 13.51 H new ATOM 0 HA VAL A 93 -22.079 -42.553 -8.760 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.296 -41.655 -11.404 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.401 -39.426 -10.833 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.626 -39.966 -9.660 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.898 -40.041 -9.240 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -20.976 -41.081 -12.012 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.407 -41.767 -10.471 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.164 -42.821 -11.689 1.00 13.21 H new ATOM 1442 N SER A 94 -24.196 -41.751 -7.690 1.00 15.51 N ATOM 1443 CA SER A 94 -25.414 -41.382 -6.980 1.00 63.12 C ATOM 1444 C SER A 94 -25.302 -39.950 -6.454 1.00 52.01 C ATOM 1445 O SER A 94 -25.949 -39.040 -6.976 1.00 33.01 O ATOM 1446 CB SER A 94 -25.669 -42.369 -5.835 1.00 45.35 C ATOM 1447 OG SER A 94 -25.767 -43.698 -6.323 1.00 22.42 O ATOM 0 H SER A 94 -23.338 -41.563 -7.171 1.00 15.51 H new ATOM 0 HA SER A 94 -26.259 -41.427 -7.667 1.00 63.12 H new ATOM 0 HB2 SER A 94 -24.861 -42.304 -5.107 1.00 45.35 H new ATOM 0 HB3 SER A 94 -26.589 -42.100 -5.316 1.00 45.35 H new ATOM 0 HG SER A 94 -25.928 -44.310 -5.575 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.465 -39.752 -5.437 1.00 12.01 N ATOM 1454 CA ALA A 95 -24.214 -38.421 -4.898 1.00 52.44 C ATOM 1455 C ALA A 95 -23.064 -37.761 -5.651 1.00 22.24 C ATOM 1456 O ALA A 95 -22.041 -38.398 -5.916 1.00 22.21 O ATOM 1457 CB ALA A 95 -23.904 -38.495 -3.407 1.00 0.24 C ATOM 0 H ALA A 95 -23.950 -40.499 -4.971 1.00 12.01 H new ATOM 0 HA ALA A 95 -25.112 -37.817 -5.029 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -23.720 -37.492 -3.023 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -24.751 -38.935 -2.881 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -23.019 -39.112 -3.250 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.232 -36.491 -5.988 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.237 -35.758 -6.761 1.00 41.53 C ATOM 1465 C ILE A 96 -21.600 -34.636 -5.930 1.00 24.21 C ATOM 1466 O ILE A 96 -22.230 -34.113 -5.007 1.00 22.54 O ATOM 1467 CB ILE A 96 -22.845 -35.205 -8.086 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.258 -34.608 -7.876 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -22.890 -36.311 -9.142 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -24.292 -33.302 -7.109 1.00 75.51 C ATOM 0 H ILE A 96 -24.054 -35.942 -5.737 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.446 -36.459 -7.028 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.200 -34.397 -8.431 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -24.719 -34.452 -8.851 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.870 -35.339 -7.348 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -23.316 -35.916 -10.064 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -21.880 -36.672 -9.334 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -23.507 -37.134 -8.781 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -25.324 -32.963 -7.013 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -23.865 -33.451 -6.117 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -23.712 -32.550 -7.644 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.331 -34.266 -6.221 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.510 -34.888 -7.278 1.00 50.44 C ATOM 1484 C PRO A 97 -19.069 -36.311 -6.913 1.00 2.04 C ATOM 1485 O PRO A 97 -19.097 -36.704 -5.742 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.286 -33.955 -7.396 1.00 4.13 C ATOM 1487 CG PRO A 97 -18.631 -32.736 -6.599 1.00 64.14 C ATOM 1488 CD PRO A 97 -19.586 -33.202 -5.535 1.00 35.15 C ATOM 0 HA PRO A 97 -20.066 -34.992 -8.210 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.388 -34.436 -7.008 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.087 -33.699 -8.437 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -17.739 -32.292 -6.157 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -19.089 -31.973 -7.229 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -19.062 -33.576 -4.655 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -20.242 -32.399 -5.199 1.00 35.15 H new ATOM 1496 N THR A 98 -18.681 -37.080 -7.923 1.00 51.24 N ATOM 1497 CA THR A 98 -18.210 -38.446 -7.728 1.00 74.00 C ATOM 1498 C THR A 98 -16.777 -38.577 -8.232 1.00 5.01 C ATOM 1499 O THR A 98 -16.472 -38.180 -9.355 1.00 43.51 O ATOM 1500 CB THR A 98 -19.117 -39.458 -8.465 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.461 -39.359 -7.973 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.613 -40.889 -8.289 1.00 73.42 C ATOM 0 H THR A 98 -18.684 -36.776 -8.897 1.00 51.24 H new ATOM 0 HA THR A 98 -18.244 -38.669 -6.662 1.00 74.00 H new ATOM 0 HB THR A 98 -19.094 -39.216 -9.527 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.457 -38.917 -7.098 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.273 -41.575 -8.820 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.604 -40.972 -8.693 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.602 -41.143 -7.229 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.905 -39.139 -7.401 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.487 -39.230 -7.719 1.00 62.41 C ATOM 1512 C ILE A 99 -14.082 -40.677 -7.994 1.00 30.42 C ATOM 1513 O ILE A 99 -14.126 -41.528 -7.101 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.624 -38.669 -6.560 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.941 -37.185 -6.306 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -12.136 -38.859 -6.845 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.615 -36.280 -7.473 1.00 13.43 C ATOM 0 H ILE A 99 -16.159 -39.540 -6.498 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.314 -38.634 -8.615 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.872 -39.229 -5.659 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -15.000 -37.086 -6.067 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.384 -36.849 -5.432 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.553 -38.457 -6.017 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.920 -39.921 -6.959 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.872 -38.334 -7.763 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.866 -35.251 -7.217 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.551 -36.348 -7.700 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.192 -36.588 -8.345 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.710 -40.948 -9.239 1.00 43.14 N ATOM 1530 CA LEU A 100 -13.162 -42.244 -9.619 1.00 54.31 C ATOM 1531 C LEU A 100 -11.644 -42.190 -9.476 1.00 72.51 C ATOM 1532 O LEU A 100 -11.058 -41.114 -9.577 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.539 -42.581 -11.071 1.00 62.44 C ATOM 1534 CG LEU A 100 -15.030 -42.423 -11.423 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.289 -42.819 -12.876 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.905 -43.238 -10.474 1.00 53.13 C ATOM 0 H LEU A 100 -13.779 -40.282 -10.008 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.572 -43.019 -8.971 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -12.957 -41.943 -11.736 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.242 -43.610 -11.276 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.295 -41.372 -11.305 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.349 -42.700 -13.102 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -14.702 -42.181 -13.537 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -15.001 -43.859 -13.026 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.953 -43.109 -10.744 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.638 -44.292 -10.548 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -15.749 -42.895 -9.451 1.00 53.13 H new ATOM 1548 N MET A 101 -11.004 -43.324 -9.223 1.00 11.43 N ATOM 1549 CA MET A 101 -9.548 -43.361 -9.122 1.00 4.10 C ATOM 1550 C MET A 101 -8.975 -44.380 -10.102 1.00 43.12 C ATOM 1551 O MET A 101 -9.562 -45.441 -10.320 1.00 65.12 O ATOM 1552 CB MET A 101 -9.105 -43.695 -7.686 1.00 31.24 C ATOM 1553 CG MET A 101 -9.722 -42.799 -6.622 1.00 63.31 C ATOM 1554 SD MET A 101 -8.967 -43.008 -5.002 1.00 12.02 S ATOM 1555 CE MET A 101 -9.731 -41.646 -4.128 1.00 54.53 C ATOM 0 H MET A 101 -11.464 -44.224 -9.085 1.00 11.43 H new ATOM 0 HA MET A 101 -9.164 -42.373 -9.376 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.365 -44.731 -7.469 1.00 31.24 H new ATOM 0 HB3 MET A 101 -8.019 -43.619 -7.625 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.625 -41.758 -6.930 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.789 -43.012 -6.550 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.982 -41.138 -3.520 1.00 54.53 H new ATOM 0 HE2 MET A 101 -10.152 -40.943 -4.847 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.525 -42.026 -3.485 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.842 -44.036 -10.710 1.00 13.11 N ATOM 1566 CA PHE A 102 -7.096 -44.939 -11.594 1.00 71.35 C ATOM 1567 C PHE A 102 -5.602 -44.695 -11.401 1.00 34.00 C ATOM 1568 O PHE A 102 -5.211 -43.615 -10.970 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.485 -44.712 -13.063 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.933 -45.013 -13.360 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.884 -43.999 -13.366 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -9.344 -46.313 -13.622 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -11.211 -44.279 -13.629 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.669 -46.595 -13.885 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.604 -45.578 -13.888 1.00 3.41 C ATOM 0 H PHE A 102 -7.410 -43.118 -10.605 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.339 -45.971 -11.340 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.277 -43.676 -13.329 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.856 -45.337 -13.697 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.582 -42.982 -13.163 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.618 -47.113 -13.620 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.941 -43.483 -13.632 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.975 -47.611 -14.088 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.641 -45.798 -14.093 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.764 -45.687 -11.685 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.314 -45.504 -11.551 1.00 2.12 C ATOM 1587 C LYS A 103 -2.563 -46.263 -12.641 1.00 22.12 C ATOM 1588 O LYS A 103 -2.444 -47.483 -12.581 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.847 -45.983 -10.168 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.353 -45.796 -9.895 1.00 43.03 C ATOM 1591 CD LYS A 103 -0.902 -46.594 -8.668 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.554 -46.105 -7.373 1.00 53.33 C ATOM 1593 NZ LYS A 103 -0.851 -44.925 -6.794 1.00 71.52 N1+ ATOM 0 H LYS A 103 -5.052 -46.612 -12.004 1.00 14.01 H new ATOM 0 HA LYS A 103 -3.096 -44.442 -11.659 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.411 -45.448 -9.404 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.092 -47.040 -10.063 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.780 -46.113 -10.767 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -1.140 -44.738 -9.741 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -1.142 -47.647 -8.816 1.00 41.12 H new ATOM 0 HD3 LYS A 103 0.182 -46.525 -8.573 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -2.594 -45.845 -7.569 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -1.560 -46.915 -6.644 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -1.309 -44.652 -5.901 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.144 -45.168 -6.613 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -0.897 -44.131 -7.464 1.00 71.52 H new ATOM 1607 N ASN A 104 -2.059 -45.530 -13.634 1.00 41.43 N ATOM 1608 CA ASN A 104 -1.260 -46.117 -14.718 1.00 72.22 C ATOM 1609 C ASN A 104 -2.035 -47.248 -15.410 1.00 0.14 C ATOM 1610 O ASN A 104 -1.459 -48.232 -15.879 1.00 72.20 O ATOM 1611 CB ASN A 104 0.085 -46.618 -14.158 1.00 20.21 C ATOM 1612 CG ASN A 104 1.108 -46.937 -15.239 1.00 24.30 C ATOM 1613 OD1 ASN A 104 1.830 -46.055 -15.703 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.192 -48.198 -15.632 1.00 31.24 N ATOM 0 H ASN A 104 -2.189 -44.521 -13.713 1.00 41.43 H new ATOM 0 HA ASN A 104 -1.058 -45.353 -15.469 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.497 -45.861 -13.490 1.00 20.21 H new ATOM 0 HB3 ASN A 104 -0.090 -47.511 -13.558 1.00 20.21 H new ATOM 0 HD21 ASN A 104 1.873 -48.466 -16.343 1.00 31.24 H new ATOM 0 HD22 ASN A 104 0.576 -48.901 -15.224 1.00 31.24 H new ATOM 1621 N GLY A 105 -3.356 -47.094 -15.465 1.00 32.31 N ATOM 1622 CA GLY A 105 -4.215 -48.095 -16.086 1.00 42.31 C ATOM 1623 C GLY A 105 -4.726 -49.124 -15.091 1.00 34.43 C ATOM 1624 O GLY A 105 -5.683 -49.845 -15.373 1.00 43.11 O ATOM 0 H GLY A 105 -3.852 -46.287 -15.087 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -5.063 -47.599 -16.558 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.663 -48.603 -16.877 1.00 42.31 H new ATOM 1628 N LYS A 106 -4.084 -49.189 -13.927 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.500 -50.092 -12.857 1.00 63.04 C ATOM 1630 C LYS A 106 -5.799 -49.596 -12.225 1.00 35.11 C ATOM 1631 O LYS A 106 -5.984 -48.381 -12.043 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.405 -50.192 -11.782 1.00 13.01 C ATOM 1633 CG LYS A 106 -3.770 -51.102 -10.610 1.00 24.15 C ATOM 1634 CD LYS A 106 -2.758 -50.999 -9.472 1.00 53.23 C ATOM 1635 CE LYS A 106 -3.106 -51.938 -8.321 1.00 13.04 C ATOM 1636 NZ LYS A 106 -2.975 -53.369 -8.710 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.267 -48.622 -13.700 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.665 -51.081 -13.285 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.489 -50.560 -12.244 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.191 -49.193 -11.401 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -4.761 -50.837 -10.240 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -3.824 -52.134 -10.955 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -1.763 -51.237 -9.847 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -2.724 -49.973 -9.107 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -2.452 -51.731 -7.474 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -4.126 -51.744 -7.991 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -3.054 -53.968 -7.863 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -3.730 -53.617 -9.381 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -2.049 -53.524 -9.158 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.690 -50.536 -11.898 1.00 44.23 N ATOM 1651 CA LYS A 107 -7.957 -50.209 -11.256 1.00 71.41 C ATOM 1652 C LYS A 107 -7.734 -49.705 -9.834 1.00 52.45 C ATOM 1653 O LYS A 107 -6.986 -50.297 -9.056 1.00 11.33 O ATOM 1654 CB LYS A 107 -8.908 -51.415 -11.246 1.00 63.10 C ATOM 1655 CG LYS A 107 -9.491 -51.765 -12.614 1.00 42.24 C ATOM 1656 CD LYS A 107 -10.183 -50.565 -13.274 1.00 71.43 C ATOM 1657 CE LYS A 107 -11.224 -49.908 -12.363 1.00 14.53 C ATOM 1658 NZ LYS A 107 -12.310 -50.840 -11.963 1.00 70.01 N1+ ATOM 0 H LYS A 107 -6.552 -51.532 -12.070 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.421 -49.414 -11.840 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -8.373 -52.282 -10.859 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -9.727 -51.212 -10.556 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -8.695 -52.126 -13.265 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.207 -52.580 -12.504 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -9.432 -49.826 -13.553 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -10.666 -50.891 -14.195 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -10.730 -49.528 -11.469 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -11.659 -49.050 -12.876 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -12.985 -50.343 -11.348 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -12.803 -51.183 -12.812 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -11.903 -51.647 -11.449 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.425 -48.626 -9.523 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.245 -47.848 -8.305 1.00 60.42 C ATOM 1674 C LEU A 108 -9.614 -47.439 -7.768 1.00 41.03 C ATOM 1675 O LEU A 108 -10.629 -47.624 -8.446 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.328 -46.631 -8.525 1.00 52.31 C ATOM 1677 CG LEU A 108 -5.878 -46.777 -8.027 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -5.843 -47.007 -6.519 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.156 -47.905 -8.758 1.00 11.12 C ATOM 0 H LEU A 108 -9.154 -48.251 -10.130 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.742 -48.468 -7.563 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.304 -46.408 -9.592 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.776 -45.770 -8.029 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.356 -45.845 -8.245 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -4.809 -47.107 -6.190 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -6.305 -46.160 -6.011 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.390 -47.918 -6.277 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.135 -47.985 -8.386 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.680 -48.845 -8.584 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.137 -47.692 -9.827 1.00 11.12 H new ATOM 1691 N SER A 109 -9.641 -46.924 -6.549 1.00 60.43 N ATOM 1692 CA SER A 109 -10.861 -46.808 -5.758 1.00 11.20 C ATOM 1693 C SER A 109 -11.841 -45.759 -6.305 1.00 20.34 C ATOM 1694 O SER A 109 -11.619 -45.146 -7.348 1.00 72.41 O ATOM 1695 CB SER A 109 -10.443 -46.396 -4.344 1.00 32.42 C ATOM 1696 OG SER A 109 -9.863 -47.479 -3.634 1.00 42.25 O ATOM 0 H SER A 109 -8.810 -46.571 -6.074 1.00 60.43 H new ATOM 0 HA SER A 109 -11.379 -47.767 -5.786 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.730 -45.573 -4.400 1.00 32.42 H new ATOM 0 HB3 SER A 109 -11.313 -46.028 -3.800 1.00 32.42 H new ATOM 0 HG SER A 109 -9.463 -47.148 -2.803 1.00 42.25 H new ATOM 1702 N GLN A 110 -12.952 -45.603 -5.596 1.00 61.23 N ATOM 1703 CA GLN A 110 -14.027 -44.701 -5.990 1.00 74.54 C ATOM 1704 C GLN A 110 -14.720 -44.155 -4.748 1.00 60.21 C ATOM 1705 O GLN A 110 -15.212 -44.922 -3.917 1.00 10.33 O ATOM 1706 CB GLN A 110 -15.045 -45.448 -6.870 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.313 -44.651 -7.181 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.377 -45.477 -7.894 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -17.456 -46.695 -7.718 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -18.209 -44.824 -8.694 1.00 4.42 N ATOM 0 H GLN A 110 -13.134 -46.102 -4.725 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.606 -43.873 -6.560 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.564 -45.723 -7.808 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.326 -46.376 -6.372 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.727 -44.260 -6.251 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -16.053 -43.792 -7.800 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -18.114 -43.816 -8.816 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.944 -45.330 -9.188 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.747 -42.834 -4.612 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.454 -42.192 -3.510 1.00 60.35 C ATOM 1721 C VAL A 111 -16.636 -41.388 -4.045 1.00 22.32 C ATOM 1722 O VAL A 111 -16.503 -40.612 -4.995 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.525 -41.286 -2.656 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -13.499 -42.127 -1.899 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -13.823 -40.245 -3.521 1.00 44.03 C ATOM 0 H VAL A 111 -14.287 -42.186 -5.252 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.818 -42.982 -2.853 1.00 60.35 H new ATOM 0 HB VAL A 111 -15.147 -40.760 -1.932 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -12.858 -41.473 -1.307 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -14.016 -42.824 -1.239 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -12.890 -42.685 -2.610 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -13.180 -39.626 -2.895 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -13.219 -40.747 -4.277 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -14.567 -39.616 -4.010 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.798 -41.607 -3.444 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.035 -40.962 -3.865 1.00 62.14 C ATOM 1737 C ILE A 112 -19.551 -40.060 -2.748 1.00 15.21 C ATOM 1738 O ILE A 112 -19.627 -40.482 -1.590 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.124 -42.011 -4.228 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.598 -42.983 -5.302 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.405 -41.322 -4.700 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.582 -44.071 -5.687 1.00 61.34 C ATOM 0 H ILE A 112 -17.910 -42.237 -2.650 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.821 -40.368 -4.754 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.361 -42.585 -3.332 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.334 -42.414 -6.194 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.682 -43.448 -4.938 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.153 -42.075 -4.949 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.787 -40.680 -3.906 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.190 -40.719 -5.582 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -20.136 -44.712 -6.447 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.828 -44.667 -4.808 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.490 -43.617 -6.083 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.886 -38.824 -3.096 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.373 -37.870 -2.118 1.00 14.45 C ATOM 1756 C GLY A 113 -19.342 -36.806 -1.805 1.00 3.03 C ATOM 1757 O GLY A 113 -18.137 -37.070 -1.841 1.00 60.32 O ATOM 0 H GLY A 113 -19.828 -38.463 -4.048 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.281 -37.397 -2.493 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.643 -38.395 -1.202 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.808 -35.604 -1.497 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.923 -34.481 -1.230 1.00 24.52 C ATOM 1763 C ALA A 114 -18.361 -34.546 0.192 1.00 0.33 C ATOM 1764 O ALA A 114 -18.765 -33.778 1.066 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.661 -33.166 -1.472 1.00 15.11 C ATOM 0 H ALA A 114 -20.801 -35.382 -1.426 1.00 12.52 H new ATOM 0 HA ALA A 114 -18.077 -34.535 -1.915 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.991 -32.330 -1.270 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.994 -33.121 -2.509 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.525 -33.107 -0.810 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.447 -35.487 0.426 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.768 -35.595 1.716 1.00 1.22 C ATOM 1773 C ASP A 115 -15.258 -35.498 1.503 1.00 22.24 C ATOM 1774 O ASP A 115 -14.579 -36.500 1.234 1.00 33.32 O ATOM 1775 CB ASP A 115 -17.134 -36.907 2.432 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.718 -36.902 3.899 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -17.427 -36.276 4.716 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -15.696 -37.531 4.250 1.00 30.13 O1- ATOM 0 H ASP A 115 -17.160 -36.185 -0.260 1.00 64.24 H new ATOM 0 HA ASP A 115 -17.096 -34.775 2.354 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -18.210 -37.068 2.362 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.653 -37.742 1.923 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.743 -34.276 1.593 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.341 -34.000 1.296 1.00 23.23 C ATOM 1785 C ILE A 116 -12.415 -34.806 2.204 1.00 50.32 C ATOM 1786 O ILE A 116 -11.311 -35.183 1.805 1.00 24.53 O ATOM 1787 CB ILE A 116 -13.029 -32.488 1.428 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.611 -32.176 0.914 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.203 -32.016 2.872 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.406 -32.505 -0.553 1.00 62.15 C ATOM 0 H ILE A 116 -15.280 -33.455 1.871 1.00 10.14 H new ATOM 0 HA ILE A 116 -13.162 -34.302 0.264 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.741 -31.941 0.810 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.402 -31.118 1.072 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.888 -32.736 1.507 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -12.978 -30.951 2.936 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.231 -32.189 3.190 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.524 -32.570 3.520 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.384 -32.258 -0.842 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.582 -33.568 -0.716 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -12.104 -31.925 -1.157 1.00 62.15 H new ATOM 1802 N SER A 117 -12.884 -35.082 3.416 1.00 64.32 N ATOM 1803 CA SER A 117 -12.122 -35.866 4.373 1.00 24.52 C ATOM 1804 C SER A 117 -11.909 -37.284 3.839 1.00 72.20 C ATOM 1805 O SER A 117 -10.785 -37.788 3.821 1.00 63.13 O ATOM 1806 CB SER A 117 -12.846 -35.894 5.725 1.00 2.24 C ATOM 1807 OG SER A 117 -12.117 -36.630 6.696 1.00 54.32 O ATOM 0 H SER A 117 -13.793 -34.771 3.757 1.00 64.32 H new ATOM 0 HA SER A 117 -11.145 -35.404 4.517 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.996 -34.874 6.079 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.834 -36.336 5.600 1.00 2.24 H new ATOM 0 HG SER A 117 -12.606 -36.626 7.545 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.991 -37.912 3.382 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.918 -39.256 2.813 1.00 23.25 C ATOM 1815 C LYS A 118 -12.021 -39.247 1.581 1.00 51.14 C ATOM 1816 O LYS A 118 -11.184 -40.137 1.398 1.00 44.54 O ATOM 1817 CB LYS A 118 -14.325 -39.759 2.443 1.00 55.14 C ATOM 1818 CG LYS A 118 -14.360 -41.195 1.915 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.971 -42.217 2.986 1.00 32.24 C ATOM 1820 CE LYS A 118 -14.941 -42.211 4.166 1.00 45.55 C ATOM 1821 NZ LYS A 118 -14.582 -43.232 5.186 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.929 -37.511 3.395 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.495 -39.931 3.557 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.965 -39.692 3.322 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.749 -39.096 1.689 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -15.361 -41.420 1.547 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.681 -41.285 1.067 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -13.945 -43.213 2.544 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -12.964 -42.001 3.344 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -14.945 -41.223 4.627 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -15.952 -42.399 3.805 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -15.265 -43.195 5.970 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -14.603 -44.177 4.753 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -13.627 -43.039 5.550 1.00 20.35 H new ATOM 1835 N ILE A 119 -12.191 -38.219 0.749 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.398 -38.068 -0.468 1.00 2.21 C ATOM 1837 C ILE A 119 -9.899 -38.021 -0.148 1.00 62.22 C ATOM 1838 O ILE A 119 -9.129 -38.837 -0.654 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.803 -36.791 -1.252 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.290 -36.853 -1.649 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.919 -36.610 -2.487 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.788 -35.617 -2.371 1.00 40.14 C ATOM 0 H ILE A 119 -12.874 -37.476 0.898 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.600 -38.939 -1.092 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.656 -35.928 -0.603 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.449 -37.722 -2.287 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.889 -37.003 -0.751 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.220 -35.709 -3.021 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.878 -36.518 -2.179 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -11.028 -37.474 -3.142 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.843 -35.739 -2.616 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.663 -34.745 -1.729 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.216 -35.476 -3.288 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.497 -37.083 0.711 1.00 71.14 N ATOM 1855 CA ILE A 120 -8.081 -36.908 1.052 1.00 1.52 C ATOM 1856 C ILE A 120 -7.526 -38.180 1.702 1.00 44.53 C ATOM 1857 O ILE A 120 -6.392 -38.598 1.411 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.862 -35.660 1.970 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.362 -35.303 2.121 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.508 -35.855 3.341 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.604 -36.120 3.153 1.00 43.13 C ATOM 0 H ILE A 120 -10.127 -36.434 1.182 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.531 -36.728 0.128 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.352 -34.820 1.477 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.876 -35.428 1.153 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.281 -34.248 2.385 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -8.337 -34.970 3.953 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.580 -36.010 3.219 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -8.069 -36.725 3.830 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.564 -35.794 3.183 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -6.057 -35.977 4.134 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.646 -37.175 2.884 1.00 43.13 H new ATOM 1873 N SER A 121 -8.337 -38.811 2.554 1.00 33.33 N ATOM 1874 CA SER A 121 -7.956 -40.069 3.190 1.00 32.12 C ATOM 1875 C SER A 121 -7.570 -41.091 2.124 1.00 12.31 C ATOM 1876 O SER A 121 -6.477 -41.668 2.161 1.00 23.30 O ATOM 1877 CB SER A 121 -9.104 -40.616 4.054 1.00 43.12 C ATOM 1878 OG SER A 121 -9.435 -39.721 5.103 1.00 42.33 O ATOM 0 H SER A 121 -9.261 -38.469 2.818 1.00 33.33 H new ATOM 0 HA SER A 121 -7.100 -39.883 3.839 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.981 -40.787 3.430 1.00 43.12 H new ATOM 0 HB3 SER A 121 -8.818 -41.580 4.474 1.00 43.12 H new ATOM 0 HG SER A 121 -9.749 -38.874 4.723 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.458 -41.273 1.151 1.00 14.44 N ATOM 1885 CA GLU A 122 -8.228 -42.221 0.072 1.00 72.13 C ATOM 1886 C GLU A 122 -7.082 -41.772 -0.832 1.00 73.04 C ATOM 1887 O GLU A 122 -6.362 -42.609 -1.366 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.509 -42.451 -0.743 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.442 -43.489 -0.130 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.794 -44.865 -0.031 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -9.368 -45.249 1.079 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.688 -45.559 -1.066 1.00 70.43 O1- ATOM 0 H GLU A 122 -9.345 -40.774 1.090 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.940 -43.169 0.526 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -10.043 -41.506 -0.839 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -9.237 -42.768 -1.750 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.744 -43.160 0.864 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.348 -43.559 -0.731 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.896 -40.464 -1.000 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.792 -39.974 -1.823 1.00 32.41 C ATOM 1901 C ILE A 123 -4.460 -40.448 -1.243 1.00 5.24 C ATOM 1902 O ILE A 123 -3.694 -41.149 -1.913 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.782 -38.426 -1.948 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -7.023 -37.932 -2.710 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.507 -37.952 -2.647 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -7.203 -36.433 -2.670 1.00 15.35 C ATOM 0 H ILE A 123 -7.481 -39.738 -0.587 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.934 -40.382 -2.824 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.805 -38.005 -0.943 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.952 -38.253 -3.749 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.909 -38.407 -2.290 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.518 -36.865 -2.726 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.637 -38.265 -2.069 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -4.456 -38.387 -3.645 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -8.098 -36.159 -3.228 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.307 -36.106 -1.635 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -6.334 -35.950 -3.118 1.00 15.35 H new ATOM 1918 N ASN A 124 -4.211 -40.126 0.028 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.946 -40.513 0.660 1.00 42.31 C ATOM 1920 C ASN A 124 -2.890 -42.030 0.824 1.00 20.40 C ATOM 1921 O ASN A 124 -1.811 -42.628 0.809 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.731 -39.806 2.013 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.648 -40.303 3.121 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.760 -39.616 3.329 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -3.347 -41.285 3.800 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.852 -39.609 0.630 1.00 61.24 H new ATOM 0 HA ASN A 124 -2.135 -40.193 0.006 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.695 -39.944 2.323 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.885 -38.735 1.881 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -2.481 -41.790 3.611 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.963 -41.593 4.552 1.00 15.41 H new ATOM 1932 N ASN A 125 -4.071 -42.642 0.956 1.00 31.14 N ATOM 1933 CA ASN A 125 -4.195 -44.099 1.056 1.00 72.20 C ATOM 1934 C ASN A 125 -3.749 -44.787 -0.235 1.00 71.23 C ATOM 1935 O ASN A 125 -3.023 -45.778 -0.200 1.00 34.51 O ATOM 1936 CB ASN A 125 -5.651 -44.481 1.372 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.909 -45.980 1.329 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -6.337 -46.480 0.176 1.00 32.44 O flip ATOM 1939 ND2 ASN A 125 -5.743 -46.680 2.328 1.00 44.23 N flip ATOM 0 H ASN A 125 -4.961 -42.146 0.996 1.00 31.14 H new ATOM 0 HA ASN A 125 -3.544 -44.437 1.863 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.910 -44.104 2.361 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -6.311 -43.986 0.659 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -5.413 -46.259 3.196 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.936 -47.681 2.287 1.00 44.23 H new ATOM 1946 N ASN A 126 -4.181 -44.251 -1.375 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.918 -44.883 -2.670 1.00 34.20 C ATOM 1948 C ASN A 126 -2.621 -44.366 -3.297 1.00 61.32 C ATOM 1949 O ASN A 126 -2.169 -44.883 -4.323 1.00 63.21 O ATOM 1950 CB ASN A 126 -5.109 -44.693 -3.627 1.00 71.20 C ATOM 1951 CG ASN A 126 -6.321 -45.522 -3.219 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -6.426 -46.699 -3.561 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -7.250 -44.917 -2.499 1.00 41.12 N ATOM 0 H ASN A 126 -4.714 -43.383 -1.430 1.00 24.21 H new ATOM 0 HA ASN A 126 -3.791 -45.951 -2.494 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -5.386 -43.639 -3.653 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -4.807 -44.969 -4.637 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -8.085 -45.428 -2.210 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -7.132 -43.940 -2.232 1.00 41.12 H new ATOM 1960 N ILE A 127 -2.033 -43.329 -2.704 1.00 24.11 N ATOM 1961 CA ILE A 127 -0.664 -42.944 -3.052 1.00 45.52 C ATOM 1962 C ILE A 127 0.323 -43.911 -2.400 1.00 24.03 C ATOM 1963 O ILE A 127 1.207 -44.467 -3.063 1.00 24.55 O ATOM 1964 CB ILE A 127 -0.325 -41.496 -2.608 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -1.166 -40.475 -3.389 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.170 -41.211 -2.790 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.940 -39.043 -2.949 1.00 54.51 C ATOM 0 H ILE A 127 -2.473 -42.747 -1.991 1.00 24.11 H new ATOM 0 HA ILE A 127 -0.583 -42.986 -4.138 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.568 -41.401 -1.550 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.934 -40.561 -4.451 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -2.222 -40.720 -3.272 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.387 -40.191 -2.473 1.00 51.22 H new ATOM 0 HG22 ILE A 127 1.750 -41.910 -2.187 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.438 -41.330 -3.840 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.566 -38.377 -3.543 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -1.199 -38.941 -1.895 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.108 -38.780 -3.092 1.00 54.51 H new ATOM 1979 N ASN A 128 0.149 -44.120 -1.097 1.00 64.33 N ATOM 1980 CA ASN A 128 1.053 -44.957 -0.311 1.00 71.43 C ATOM 1981 C ASN A 128 0.334 -46.242 0.105 1.00 23.15 C ATOM 1982 O ASN A 128 0.337 -47.206 -0.686 1.00 65.33 O ATOM 1983 CB ASN A 128 1.550 -44.190 0.929 1.00 24.12 C ATOM 1984 CG ASN A 128 2.121 -42.822 0.590 1.00 23.51 C ATOM 1985 OD1 ASN A 128 3.311 -42.679 0.303 1.00 5.34 O ATOM 1986 ND2 ASN A 128 1.274 -41.802 0.623 1.00 22.35 N ATOM 1987 OXT ASN A 128 -0.244 -46.277 1.213 1.00 0.00 O1- ATOM 0 H ASN A 128 -0.618 -43.717 -0.559 1.00 64.33 H new ATOM 0 HA ASN A 128 1.918 -45.218 -0.920 1.00 71.43 H new ATOM 0 HB2 ASN A 128 0.724 -44.070 1.630 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.314 -44.782 1.434 1.00 24.12 H new ATOM 0 HD21 ASN A 128 1.601 -40.860 0.406 1.00 22.35 H new ATOM 0 HD22 ASN A 128 0.296 -41.959 0.865 1.00 22.35 H new