USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 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 85 GLN : amide:sc= 0.0762 K(o=-0.14,f=-0.78) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.213 USER MOD Set 2.1: A 25 GLN : amide:sc= 0.448 K(o=0.77,f=-4) USER MOD Set 2.2: A 80 ASN : amide:sc= 0.326 K(o=0.77,f=-3!) USER MOD Set 3.1: A 71 THR OG1 : rot 180:sc= 0.934 USER MOD Set 3.2: A 75 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-3.59!) USER MOD Set 4.1: A 69 GLN :FLIP amide:sc= 1.52 F(o=0.015,f=1.4) USER MOD Set 4.2: A 70 TYR OH : rot 180:sc= -0.136 USER MOD Single : A 22 MET CE :methyl -137:sc= -0.0972 (180deg=-0.731) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.595 K(o=0.59,f=-0.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -76:sc= 0.974 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -96:sc= -2.28! USER MOD Single : A 39 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 41 ASN : amide:sc= 0.089 X(o=0.089,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.04 K(o=-2,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-0.000831 K(o=-0.00083,f=-0.93) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 1.07 (180deg=-0.21) USER MOD Single : A 84 ASN : amide:sc= -1.31 K(o=-1.3,f=-8!) USER MOD Single : A 90 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.38) USER MOD Single : A 91 TYR OH : rot -65:sc= 0.0929 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 54:sc= -1.17! USER MOD Single : A 101 MET CE :methyl -179:sc= 0 (180deg=-0.00041) USER MOD Single : A 103 LYS NZ :NH3+ 141:sc= 0.0311 (180deg=-3.14!) USER MOD Single : A 104 ASN : amide:sc= -0.494 K(o=-0.49,f=-11!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.218 K(o=-0.22,f=-1) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.07) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -1.17 F(o=-2.8!,f=-1.2) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 126 ASN : amide:sc= -0.902! C(o=-0.9!,f=-3.7!) USER MOD Single : A 128 ASN : amide:sc= -0.768 X(o=-0.77,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -6.690 -27.150 -12.141 1.00 71.32 N ATOM 308 CA MET A 22 -5.994 -28.417 -11.906 1.00 14.44 C ATOM 309 C MET A 22 -6.848 -29.603 -12.335 1.00 34.21 C ATOM 310 O MET A 22 -6.323 -30.679 -12.631 1.00 25.22 O ATOM 311 CB MET A 22 -5.611 -28.558 -10.427 1.00 32.01 C ATOM 312 CG MET A 22 -4.556 -27.560 -9.969 1.00 64.35 C ATOM 313 SD MET A 22 -2.975 -27.772 -10.819 1.00 62.34 S ATOM 314 CE MET A 22 -2.497 -29.417 -10.277 1.00 41.55 C ATOM 0 HA MET A 22 -5.086 -28.411 -12.509 1.00 14.44 H new ATOM 0 HB2 MET A 22 -6.505 -28.434 -9.816 1.00 32.01 H new ATOM 0 HB3 MET A 22 -5.243 -29.569 -10.251 1.00 32.01 H new ATOM 0 HG2 MET A 22 -4.922 -26.548 -10.139 1.00 64.35 H new ATOM 0 HG3 MET A 22 -4.403 -27.667 -8.895 1.00 64.35 H new ATOM 0 HE1 MET A 22 -1.437 -29.423 -10.023 1.00 41.55 H new ATOM 0 HE2 MET A 22 -3.082 -29.695 -9.400 1.00 41.55 H new ATOM 0 HE3 MET A 22 -2.682 -30.132 -11.078 1.00 41.55 H new ATOM 324 N ILE A 23 -8.160 -29.410 -12.351 1.00 11.52 N ATOM 325 CA ILE A 23 -9.075 -30.447 -12.809 1.00 62.20 C ATOM 326 C ILE A 23 -9.054 -30.494 -14.338 1.00 11.52 C ATOM 327 O ILE A 23 -9.756 -29.725 -15.000 1.00 51.53 O ATOM 328 CB ILE A 23 -10.526 -30.201 -12.312 1.00 4.53 C ATOM 329 CG1 ILE A 23 -10.541 -29.833 -10.816 1.00 14.53 C ATOM 330 CG2 ILE A 23 -11.394 -31.431 -12.567 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.974 -30.902 -9.903 1.00 12.43 C ATOM 0 H ILE A 23 -8.614 -28.547 -12.053 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.743 -31.399 -12.395 1.00 62.20 H new ATOM 0 HB ILE A 23 -10.938 -29.362 -12.872 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -9.973 -28.913 -10.675 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -11.568 -29.623 -10.516 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -12.407 -31.241 -12.213 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -11.417 -31.645 -13.636 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -10.978 -32.287 -12.035 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -10.023 -30.561 -8.869 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -10.555 -31.818 -10.011 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.936 -31.097 -10.172 1.00 12.43 H new ATOM 343 N GLU A 24 -8.213 -31.362 -14.891 1.00 63.12 N ATOM 344 CA GLU A 24 -8.016 -31.435 -16.339 1.00 10.03 C ATOM 345 C GLU A 24 -9.267 -31.966 -17.040 1.00 51.50 C ATOM 346 O GLU A 24 -9.732 -33.066 -16.754 1.00 10.23 O ATOM 347 CB GLU A 24 -6.814 -32.330 -16.667 1.00 41.42 C ATOM 348 CG GLU A 24 -6.512 -32.433 -18.160 1.00 40.21 C ATOM 349 CD GLU A 24 -5.954 -31.146 -18.748 1.00 32.25 C ATOM 350 OE1 GLU A 24 -4.725 -31.072 -18.967 1.00 35.10 O ATOM 351 OE2 GLU A 24 -6.738 -30.208 -19.011 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.654 -32.028 -14.358 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.822 -30.426 -16.703 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -5.934 -31.943 -16.154 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.999 -33.329 -16.273 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -5.798 -33.240 -18.325 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -7.425 -32.702 -18.691 1.00 40.21 H new ATOM 358 N GLN A 25 -9.796 -31.188 -17.970 1.00 3.42 N ATOM 359 CA GLN A 25 -11.001 -31.566 -18.703 1.00 70.21 C ATOM 360 C GLN A 25 -10.632 -32.325 -19.977 1.00 62.55 C ATOM 361 O GLN A 25 -9.894 -31.815 -20.824 1.00 71.41 O ATOM 362 CB GLN A 25 -11.837 -30.320 -19.026 1.00 35.52 C ATOM 363 CG GLN A 25 -11.040 -29.174 -19.637 1.00 35.52 C ATOM 364 CD GLN A 25 -11.880 -27.929 -19.853 1.00 34.41 C ATOM 365 OE1 GLN A 25 -12.856 -27.689 -19.140 1.00 41.35 O ATOM 366 NE2 GLN A 25 -11.511 -27.125 -20.834 1.00 13.53 N ATOM 0 H GLN A 25 -9.409 -30.283 -18.239 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.602 -32.227 -18.079 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -12.635 -30.600 -19.714 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.314 -29.969 -18.111 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -10.200 -28.933 -18.985 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -10.621 -29.495 -20.591 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -10.697 -27.356 -21.404 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -12.040 -26.273 -21.022 1.00 13.53 H new ATOM 375 N ILE A 26 -11.141 -33.548 -20.103 1.00 73.45 N ATOM 376 CA ILE A 26 -10.792 -34.422 -21.223 1.00 30.23 C ATOM 377 C ILE A 26 -12.044 -34.938 -21.935 1.00 44.22 C ATOM 378 O ILE A 26 -13.156 -34.841 -21.407 1.00 73.54 O ATOM 379 CB ILE A 26 -9.930 -35.626 -20.756 1.00 32.02 C ATOM 380 CG1 ILE A 26 -10.661 -36.430 -19.662 1.00 24.53 C ATOM 381 CG2 ILE A 26 -8.564 -35.145 -20.264 1.00 54.44 C ATOM 382 CD1 ILE A 26 -9.903 -37.653 -19.182 1.00 35.42 C ATOM 0 H ILE A 26 -11.799 -33.959 -19.441 1.00 73.45 H new ATOM 0 HA ILE A 26 -10.209 -33.823 -21.922 1.00 30.23 H new ATOM 0 HB ILE A 26 -9.771 -36.288 -21.607 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.851 -35.776 -18.811 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -11.632 -36.745 -20.045 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.972 -36.001 -19.940 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -8.046 -34.631 -21.074 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.699 -34.460 -19.427 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -10.484 -38.163 -18.414 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -9.736 -38.330 -20.020 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.943 -37.346 -18.767 1.00 35.42 H new ATOM 394 N GLY A 27 -11.848 -35.480 -23.135 1.00 62.23 N ATOM 395 CA GLY A 27 -12.956 -35.971 -23.937 1.00 35.05 C ATOM 396 C GLY A 27 -13.266 -37.440 -23.706 1.00 75.43 C ATOM 397 O GLY A 27 -12.757 -38.058 -22.766 1.00 55.43 O ATOM 0 H GLY A 27 -10.931 -35.588 -23.569 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.845 -35.381 -23.715 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -12.727 -35.817 -24.992 1.00 35.05 H new ATOM 401 N ASP A 28 -14.089 -37.997 -24.591 1.00 55.22 N ATOM 402 CA ASP A 28 -14.579 -39.372 -24.473 1.00 30.13 C ATOM 403 C ASP A 28 -13.442 -40.384 -24.609 1.00 31.43 C ATOM 404 O ASP A 28 -13.244 -41.233 -23.736 1.00 52.43 O ATOM 405 CB ASP A 28 -15.644 -39.622 -25.551 1.00 2.44 C ATOM 406 CG ASP A 28 -16.242 -41.019 -25.497 1.00 31.34 C ATOM 407 OD1 ASP A 28 -17.220 -41.217 -24.747 1.00 33.35 O ATOM 408 OD2 ASP A 28 -15.760 -41.911 -26.229 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.438 -37.507 -25.415 1.00 55.22 H new ATOM 0 HA ASP A 28 -15.017 -39.501 -23.483 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -16.443 -38.889 -25.439 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -15.200 -39.463 -26.534 1.00 2.44 H new ATOM 413 N SER A 29 -12.698 -40.281 -25.701 1.00 43.14 N ATOM 414 CA SER A 29 -11.596 -41.197 -25.977 1.00 21.41 C ATOM 415 C SER A 29 -10.399 -40.873 -25.084 1.00 74.42 C ATOM 416 O SER A 29 -9.600 -41.751 -24.740 1.00 31.25 O ATOM 417 CB SER A 29 -11.203 -41.111 -27.460 1.00 13.32 C ATOM 418 OG SER A 29 -10.167 -42.028 -27.779 1.00 44.32 O ATOM 0 H SER A 29 -12.838 -39.567 -26.416 1.00 43.14 H new ATOM 0 HA SER A 29 -11.919 -42.215 -25.759 1.00 21.41 H new ATOM 0 HB2 SER A 29 -12.075 -41.316 -28.081 1.00 13.32 H new ATOM 0 HB3 SER A 29 -10.877 -40.097 -27.693 1.00 13.32 H new ATOM 0 HG SER A 29 -9.942 -41.949 -28.729 1.00 44.32 H new ATOM 424 N GLU A 30 -10.293 -39.605 -24.698 1.00 44.24 N ATOM 425 CA GLU A 30 -9.208 -39.146 -23.835 1.00 41.13 C ATOM 426 C GLU A 30 -9.287 -39.776 -22.450 1.00 44.35 C ATOM 427 O GLU A 30 -8.307 -39.756 -21.709 1.00 55.03 O ATOM 428 CB GLU A 30 -9.216 -37.616 -23.720 1.00 34.32 C ATOM 429 CG GLU A 30 -8.739 -36.903 -24.976 1.00 30.32 C ATOM 430 CD GLU A 30 -7.270 -37.163 -25.273 1.00 70.04 C ATOM 431 OE1 GLU A 30 -6.425 -36.329 -24.893 1.00 75.54 O ATOM 432 OE2 GLU A 30 -6.951 -38.204 -25.887 1.00 72.31 O1- ATOM 0 H GLU A 30 -10.949 -38.873 -24.971 1.00 44.24 H new ATOM 0 HA GLU A 30 -8.272 -39.461 -24.295 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -10.228 -37.284 -23.487 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -8.583 -37.321 -22.883 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -9.341 -37.228 -25.825 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -8.899 -35.831 -24.864 1.00 30.32 H new ATOM 439 N PHE A 31 -10.448 -40.322 -22.099 1.00 52.35 N ATOM 440 CA PHE A 31 -10.614 -40.997 -20.814 1.00 4.33 C ATOM 441 C PHE A 31 -9.614 -42.148 -20.690 1.00 54.44 C ATOM 442 O PHE A 31 -8.724 -42.122 -19.837 1.00 42.52 O ATOM 443 CB PHE A 31 -12.055 -41.515 -20.662 1.00 52.22 C ATOM 444 CG PHE A 31 -12.307 -42.273 -19.378 1.00 11.55 C ATOM 445 CD1 PHE A 31 -12.411 -43.659 -19.378 1.00 31.15 C ATOM 446 CD2 PHE A 31 -12.441 -41.599 -18.170 1.00 33.32 C ATOM 447 CE1 PHE A 31 -12.640 -44.353 -18.205 1.00 3.32 C ATOM 448 CE2 PHE A 31 -12.671 -42.291 -16.995 1.00 65.25 C ATOM 449 CZ PHE A 31 -12.772 -43.668 -17.012 1.00 11.43 C ATOM 0 H PHE A 31 -11.284 -40.311 -22.683 1.00 52.35 H new ATOM 0 HA PHE A 31 -10.421 -40.281 -20.015 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -12.741 -40.669 -20.712 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -12.287 -42.164 -21.506 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -12.312 -44.201 -20.307 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -12.365 -40.522 -18.149 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -12.716 -45.430 -18.221 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -12.772 -41.754 -16.063 1.00 65.25 H new ATOM 0 HZ PHE A 31 -12.954 -44.209 -16.095 1.00 11.43 H new ATOM 459 N ASP A 32 -9.730 -43.125 -21.586 1.00 24.45 N ATOM 460 CA ASP A 32 -8.855 -44.298 -21.572 1.00 14.44 C ATOM 461 C ASP A 32 -7.403 -43.873 -21.742 1.00 54.45 C ATOM 462 O ASP A 32 -6.516 -44.325 -21.013 1.00 73.42 O ATOM 463 CB ASP A 32 -9.239 -45.279 -22.691 1.00 2.53 C ATOM 464 CG ASP A 32 -10.690 -45.728 -22.610 1.00 22.33 C ATOM 465 OD1 ASP A 32 -10.957 -46.830 -22.082 1.00 54.10 O ATOM 466 OD2 ASP A 32 -11.571 -44.981 -23.082 1.00 35.01 O1- ATOM 0 H ASP A 32 -10.423 -43.129 -22.334 1.00 24.45 H new ATOM 0 HA ASP A 32 -8.975 -44.798 -20.611 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -9.063 -44.807 -23.658 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.590 -46.153 -22.640 1.00 2.53 H new ATOM 471 N ASN A 33 -7.179 -42.981 -22.702 1.00 43.22 N ATOM 472 CA ASN A 33 -5.842 -42.482 -23.018 1.00 4.32 C ATOM 473 C ASN A 33 -5.166 -41.873 -21.788 1.00 12.24 C ATOM 474 O ASN A 33 -4.100 -42.325 -21.358 1.00 43.20 O ATOM 475 CB ASN A 33 -5.927 -41.446 -24.134 1.00 4.00 C ATOM 476 CG ASN A 33 -4.564 -40.907 -24.522 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.542 -41.575 -24.380 1.00 34.52 O ATOM 478 ND2 ASN A 33 -4.544 -39.694 -25.014 1.00 23.04 N ATOM 0 H ASN A 33 -7.917 -42.583 -23.283 1.00 43.22 H new ATOM 0 HA ASN A 33 -5.236 -43.326 -23.349 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -6.401 -41.894 -25.008 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -6.564 -40.621 -23.814 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -3.659 -39.272 -25.295 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -5.414 -39.171 -25.117 1.00 23.04 H new ATOM 485 N LYS A 34 -5.813 -40.879 -21.196 1.00 32.10 N ATOM 486 CA LYS A 34 -5.222 -40.125 -20.095 1.00 63.34 C ATOM 487 C LYS A 34 -5.136 -40.969 -18.821 1.00 13.43 C ATOM 488 O LYS A 34 -4.229 -40.769 -18.011 1.00 20.22 O ATOM 489 CB LYS A 34 -6.006 -38.828 -19.850 1.00 42.13 C ATOM 490 CG LYS A 34 -5.913 -37.840 -21.013 1.00 54.23 C ATOM 491 CD LYS A 34 -4.470 -37.412 -21.276 1.00 2.25 C ATOM 492 CE LYS A 34 -4.358 -36.497 -22.491 1.00 10.31 C ATOM 493 NZ LYS A 34 -2.947 -36.108 -22.760 1.00 61.25 N1+ ATOM 0 H LYS A 34 -6.750 -40.574 -21.459 1.00 32.10 H new ATOM 0 HA LYS A 34 -4.203 -39.860 -20.377 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -7.053 -39.072 -19.672 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.632 -38.350 -18.945 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -6.327 -38.296 -21.912 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.519 -36.961 -20.793 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -4.078 -36.898 -20.398 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -3.852 -38.296 -21.430 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.769 -37.001 -23.365 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -4.958 -35.601 -22.328 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -2.911 -35.486 -23.593 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -2.562 -35.605 -21.935 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -2.380 -36.961 -22.940 1.00 61.25 H new ATOM 507 N VAL A 35 -6.060 -41.914 -18.655 1.00 1.14 N ATOM 508 CA VAL A 35 -6.016 -42.830 -17.516 1.00 22.00 C ATOM 509 C VAL A 35 -4.819 -43.782 -17.630 1.00 74.14 C ATOM 510 O VAL A 35 -4.129 -44.043 -16.645 1.00 12.35 O ATOM 511 CB VAL A 35 -7.335 -43.640 -17.370 1.00 71.34 C ATOM 512 CG1 VAL A 35 -7.175 -44.781 -16.366 1.00 55.41 C ATOM 513 CG2 VAL A 35 -8.484 -42.719 -16.950 1.00 4.12 C ATOM 0 H VAL A 35 -6.844 -42.065 -19.290 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.900 -42.221 -16.619 1.00 22.00 H new ATOM 0 HB VAL A 35 -7.570 -44.076 -18.341 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -8.114 -45.329 -16.285 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -6.389 -45.456 -16.704 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.908 -44.373 -15.391 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -9.400 -43.302 -16.852 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -8.246 -42.253 -15.994 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -8.625 -41.945 -17.705 1.00 4.12 H new ATOM 523 N THR A 36 -4.562 -44.284 -18.836 1.00 14.23 N ATOM 524 CA THR A 36 -3.435 -45.190 -19.061 1.00 5.43 C ATOM 525 C THR A 36 -2.127 -44.411 -19.218 1.00 53.41 C ATOM 526 O THR A 36 -1.038 -44.962 -19.045 1.00 51.32 O ATOM 527 CB THR A 36 -3.662 -46.086 -20.307 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.898 -45.275 -21.466 1.00 35.24 O ATOM 529 CG2 THR A 36 -4.844 -47.032 -20.101 1.00 31.14 C ATOM 0 H THR A 36 -5.115 -44.081 -19.669 1.00 14.23 H new ATOM 0 HA THR A 36 -3.363 -45.832 -18.183 1.00 5.43 H new ATOM 0 HB THR A 36 -2.761 -46.682 -20.455 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.813 -44.925 -21.440 1.00 35.24 H new ATOM 0 HG21 THR A 36 -4.978 -47.647 -20.991 1.00 31.14 H new ATOM 0 HG22 THR A 36 -4.650 -47.675 -19.242 1.00 31.14 H new ATOM 0 HG23 THR A 36 -5.749 -46.451 -19.922 1.00 31.14 H new ATOM 537 N SER A 37 -2.246 -43.120 -19.518 1.00 74.54 N ATOM 538 CA SER A 37 -1.084 -42.256 -19.724 1.00 42.32 C ATOM 539 C SER A 37 -0.220 -42.163 -18.459 1.00 73.45 C ATOM 540 O SER A 37 0.963 -41.825 -18.536 1.00 65.42 O ATOM 541 CB SER A 37 -1.555 -40.857 -20.154 1.00 1.24 C ATOM 542 OG SER A 37 -0.472 -40.035 -20.559 1.00 11.40 O ATOM 0 H SER A 37 -3.142 -42.645 -19.625 1.00 74.54 H new ATOM 0 HA SER A 37 -0.467 -42.692 -20.510 1.00 42.32 H new ATOM 0 HB2 SER A 37 -2.267 -40.950 -20.974 1.00 1.24 H new ATOM 0 HB3 SER A 37 -2.082 -40.381 -19.327 1.00 1.24 H new ATOM 0 HG SER A 37 -0.811 -39.155 -20.826 1.00 11.40 H new ATOM 548 N CYS A 38 -0.809 -42.453 -17.296 1.00 31.04 N ATOM 549 CA CYS A 38 -0.070 -42.424 -16.034 1.00 10.42 C ATOM 550 C CYS A 38 1.099 -43.410 -16.072 1.00 51.55 C ATOM 551 O CYS A 38 0.904 -44.606 -16.296 1.00 23.12 O ATOM 552 CB CYS A 38 -0.995 -42.743 -14.855 1.00 55.23 C ATOM 553 SG CYS A 38 -1.869 -44.316 -14.995 1.00 22.33 S ATOM 0 H CYS A 38 -1.792 -42.710 -17.203 1.00 31.04 H new ATOM 0 HA CYS A 38 0.327 -41.418 -15.898 1.00 10.42 H new ATOM 0 HB2 CYS A 38 -0.405 -42.750 -13.938 1.00 55.23 H new ATOM 0 HB3 CYS A 38 -1.728 -41.942 -14.757 1.00 55.23 H new ATOM 0 HG CYS A 38 -3.057 -44.111 -15.481 1.00 22.33 H new ATOM 559 N ASN A 39 2.309 -42.894 -15.864 1.00 72.42 N ATOM 560 CA ASN A 39 3.530 -43.702 -15.927 1.00 15.33 C ATOM 561 C ASN A 39 3.545 -44.794 -14.858 1.00 11.44 C ATOM 562 O ASN A 39 3.437 -45.983 -15.168 1.00 34.54 O ATOM 563 CB ASN A 39 4.767 -42.801 -15.776 1.00 42.12 C ATOM 564 CG ASN A 39 6.075 -43.578 -15.859 1.00 14.24 C ATOM 565 OD1 ASN A 39 6.603 -43.997 -14.716 1.00 23.53 O flip ATOM 566 ND2 ASN A 39 6.613 -43.788 -16.943 1.00 10.15 N flip ATOM 0 H ASN A 39 2.473 -41.911 -15.648 1.00 72.42 H new ATOM 0 HA ASN A 39 3.552 -44.192 -16.901 1.00 15.33 H new ATOM 0 HB2 ASN A 39 4.753 -42.038 -16.554 1.00 42.12 H new ATOM 0 HB3 ASN A 39 4.718 -42.281 -14.819 1.00 42.12 H new ATOM 0 HD21 ASN A 39 6.178 -43.451 -17.802 1.00 10.15 H new ATOM 0 HD22 ASN A 39 7.495 -44.299 -16.984 1.00 10.15 H new ATOM 573 N ASP A 40 3.672 -44.387 -13.598 1.00 2.41 N ATOM 574 CA ASP A 40 3.783 -45.338 -12.492 1.00 42.21 C ATOM 575 C ASP A 40 3.461 -44.666 -11.161 1.00 11.11 C ATOM 576 O ASP A 40 3.902 -43.545 -10.910 1.00 52.12 O ATOM 577 CB ASP A 40 5.196 -45.945 -12.451 1.00 54.20 C ATOM 578 CG ASP A 40 5.454 -46.763 -11.194 1.00 63.42 C ATOM 579 OD1 ASP A 40 4.876 -47.862 -11.061 1.00 24.22 O ATOM 580 OD2 ASP A 40 6.245 -46.313 -10.336 1.00 1.42 O1- ATOM 0 H ASP A 40 3.701 -43.407 -13.316 1.00 2.41 H new ATOM 0 HA ASP A 40 3.059 -46.136 -12.656 1.00 42.21 H new ATOM 0 HB2 ASP A 40 5.339 -46.579 -13.326 1.00 54.20 H new ATOM 0 HB3 ASP A 40 5.932 -45.144 -12.514 1.00 54.20 H new ATOM 585 N ASN A 41 2.670 -45.353 -10.334 1.00 20.22 N ATOM 586 CA ASN A 41 2.291 -44.868 -8.996 1.00 43.41 C ATOM 587 C ASN A 41 1.556 -43.530 -9.055 1.00 72.45 C ATOM 588 O ASN A 41 1.414 -42.846 -8.040 1.00 25.45 O ATOM 589 CB ASN A 41 3.518 -44.762 -8.062 1.00 53.22 C ATOM 590 CG ASN A 41 3.821 -46.067 -7.345 1.00 43.00 C ATOM 591 OD1 ASN A 41 3.302 -46.326 -6.257 1.00 12.13 O ATOM 592 ND2 ASN A 41 4.658 -46.898 -7.941 1.00 51.54 N ATOM 0 H ASN A 41 2.272 -46.262 -10.569 1.00 20.22 H new ATOM 0 HA ASN A 41 1.605 -45.608 -8.584 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.389 -44.461 -8.645 1.00 53.22 H new ATOM 0 HB3 ASN A 41 3.342 -43.979 -7.325 1.00 53.22 H new ATOM 0 HD21 ASN A 41 4.894 -47.787 -7.501 1.00 51.54 H new ATOM 0 HD22 ASN A 41 5.068 -46.650 -8.841 1.00 51.54 H new ATOM 599 N ILE A 42 1.058 -43.177 -10.236 1.00 4.44 N ATOM 600 CA ILE A 42 0.336 -41.921 -10.420 1.00 53.42 C ATOM 601 C ILE A 42 -1.146 -42.113 -10.114 1.00 61.41 C ATOM 602 O ILE A 42 -1.843 -42.861 -10.805 1.00 70.51 O ATOM 603 CB ILE A 42 0.505 -41.377 -11.863 1.00 60.24 C ATOM 604 CG1 ILE A 42 1.997 -41.164 -12.187 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.284 -40.079 -12.059 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.684 -40.154 -11.288 1.00 11.11 C ATOM 0 H ILE A 42 1.141 -43.743 -11.081 1.00 4.44 H new ATOM 0 HA ILE A 42 0.758 -41.192 -9.728 1.00 53.42 H new ATOM 0 HB ILE A 42 0.104 -42.118 -12.554 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.516 -42.119 -12.107 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.091 -40.837 -13.222 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.147 -39.721 -13.079 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.343 -40.266 -11.879 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.076 -39.325 -11.358 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.730 -40.060 -11.579 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.192 -39.186 -11.386 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.624 -40.489 -10.252 1.00 11.11 H new ATOM 618 N LEU A 43 -1.606 -41.461 -9.057 1.00 61.41 N ATOM 619 CA LEU A 43 -3.003 -41.505 -8.655 1.00 72.33 C ATOM 620 C LEU A 43 -3.816 -40.563 -9.542 1.00 70.42 C ATOM 621 O LEU A 43 -3.686 -39.342 -9.453 1.00 24.44 O ATOM 622 CB LEU A 43 -3.145 -41.089 -7.176 1.00 53.01 C ATOM 623 CG LEU A 43 -4.314 -41.724 -6.391 1.00 15.11 C ATOM 624 CD1 LEU A 43 -4.583 -40.941 -5.107 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.584 -41.830 -7.235 1.00 60.11 C ATOM 0 H LEU A 43 -1.020 -40.885 -8.453 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.377 -42.523 -8.768 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.216 -41.334 -6.662 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -3.255 -40.005 -7.135 1.00 53.01 H new ATOM 0 HG LEU A 43 -4.017 -42.740 -6.130 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -5.410 -41.402 -4.566 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -3.690 -40.950 -4.482 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.841 -39.912 -5.356 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -6.379 -42.282 -6.642 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -5.892 -40.835 -7.555 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -5.388 -42.449 -8.111 1.00 60.11 H new ATOM 637 N ILE A 44 -4.630 -41.142 -10.407 1.00 53.43 N ATOM 638 CA ILE A 44 -5.522 -40.379 -11.265 1.00 3.43 C ATOM 639 C ILE A 44 -6.925 -40.325 -10.664 1.00 52.32 C ATOM 640 O ILE A 44 -7.536 -41.362 -10.414 1.00 63.21 O ATOM 641 CB ILE A 44 -5.591 -40.990 -12.686 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.245 -40.813 -13.407 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.726 -40.362 -13.490 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.249 -41.315 -14.833 1.00 52.24 C ATOM 0 H ILE A 44 -4.692 -42.152 -10.535 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.122 -39.368 -11.340 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.795 -42.057 -12.596 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -3.977 -39.756 -13.404 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.471 -41.339 -12.848 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.756 -40.806 -14.485 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.674 -40.542 -12.983 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.560 -39.288 -13.577 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -3.266 -41.157 -15.277 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.485 -42.379 -14.843 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -4.999 -40.771 -15.408 1.00 52.24 H new ATOM 656 N LEU A 45 -7.418 -39.114 -10.418 1.00 65.44 N ATOM 657 CA LEU A 45 -8.778 -38.914 -9.921 1.00 1.02 C ATOM 658 C LEU A 45 -9.655 -38.369 -11.042 1.00 41.11 C ATOM 659 O LEU A 45 -9.409 -37.281 -11.544 1.00 73.21 O ATOM 660 CB LEU A 45 -8.810 -37.943 -8.724 1.00 45.12 C ATOM 661 CG LEU A 45 -8.116 -38.427 -7.437 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.600 -38.458 -7.600 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.511 -37.546 -6.255 1.00 43.24 C ATOM 0 H LEU A 45 -6.893 -38.251 -10.556 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.157 -39.878 -9.582 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.347 -37.005 -9.031 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.851 -37.722 -8.490 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.449 -39.446 -7.240 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.141 -38.804 -6.674 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.335 -39.136 -8.411 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.238 -37.456 -7.832 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -8.012 -37.902 -5.353 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.213 -36.516 -6.453 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.591 -37.590 -6.113 1.00 43.24 H new ATOM 675 N VAL A 46 -10.654 -39.134 -11.447 1.00 52.30 N ATOM 676 CA VAL A 46 -11.586 -38.695 -12.482 1.00 52.42 C ATOM 677 C VAL A 46 -12.876 -38.179 -11.848 1.00 21.23 C ATOM 678 O VAL A 46 -13.681 -38.961 -11.338 1.00 14.33 O ATOM 679 CB VAL A 46 -11.917 -39.838 -13.476 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.899 -39.362 -14.549 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.638 -40.386 -14.111 1.00 72.45 C ATOM 0 H VAL A 46 -10.844 -40.065 -11.076 1.00 52.30 H new ATOM 0 HA VAL A 46 -11.103 -37.891 -13.037 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.394 -40.645 -12.920 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -13.115 -40.182 -15.234 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.823 -39.032 -14.075 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.459 -38.533 -15.103 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.891 -41.187 -14.805 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -10.128 -39.587 -14.649 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.983 -40.775 -13.332 1.00 72.45 H new ATOM 691 N ASP A 47 -13.044 -36.860 -11.855 1.00 11.12 N ATOM 692 CA ASP A 47 -14.252 -36.225 -11.336 1.00 51.13 C ATOM 693 C ASP A 47 -15.365 -36.264 -12.380 1.00 54.22 C ATOM 694 O ASP A 47 -15.137 -35.960 -13.557 1.00 62.13 O ATOM 695 CB ASP A 47 -13.961 -34.771 -10.931 1.00 0.54 C ATOM 696 CG ASP A 47 -15.222 -33.985 -10.590 1.00 13.50 C ATOM 697 OD1 ASP A 47 -15.566 -33.051 -11.349 1.00 30.41 O ATOM 698 OD2 ASP A 47 -15.877 -34.309 -9.578 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.352 -36.205 -12.218 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.579 -36.777 -10.454 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.292 -34.766 -10.070 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -13.436 -34.271 -11.745 1.00 0.54 H new ATOM 703 N PHE A 48 -16.559 -36.664 -11.954 1.00 33.43 N ATOM 704 CA PHE A 48 -17.719 -36.678 -12.836 1.00 51.34 C ATOM 705 C PHE A 48 -18.430 -35.325 -12.772 1.00 61.52 C ATOM 706 O PHE A 48 -18.592 -34.761 -11.692 1.00 13.11 O ATOM 707 CB PHE A 48 -18.683 -37.814 -12.456 1.00 65.22 C ATOM 708 CG PHE A 48 -19.795 -38.014 -13.457 1.00 13.55 C ATOM 709 CD1 PHE A 48 -19.552 -38.675 -14.655 1.00 62.52 C ATOM 710 CD2 PHE A 48 -21.075 -37.536 -13.210 1.00 12.32 C ATOM 711 CE1 PHE A 48 -20.561 -38.852 -15.582 1.00 14.23 C ATOM 712 CE2 PHE A 48 -22.087 -37.713 -14.135 1.00 3.03 C ATOM 713 CZ PHE A 48 -21.830 -38.372 -15.322 1.00 0.02 C ATOM 0 H PHE A 48 -16.748 -36.983 -11.004 1.00 33.43 H new ATOM 0 HA PHE A 48 -17.381 -36.855 -13.857 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -18.120 -38.742 -12.359 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -19.117 -37.601 -11.479 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -18.563 -39.055 -14.864 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -21.282 -37.020 -12.284 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -20.358 -39.366 -16.510 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -23.078 -37.336 -13.930 1.00 3.03 H new ATOM 0 HZ PHE A 48 -22.620 -38.512 -16.045 1.00 0.02 H new ATOM 723 N TRP A 49 -18.851 -34.825 -13.938 1.00 62.40 N ATOM 724 CA TRP A 49 -19.474 -33.502 -14.058 1.00 3.51 C ATOM 725 C TRP A 49 -20.543 -33.272 -12.982 1.00 41.31 C ATOM 726 O TRP A 49 -20.522 -32.252 -12.291 1.00 63.54 O ATOM 727 CB TRP A 49 -20.083 -33.342 -15.461 1.00 40.21 C ATOM 728 CG TRP A 49 -20.750 -32.018 -15.678 1.00 42.53 C ATOM 729 CD1 TRP A 49 -20.139 -30.802 -15.782 1.00 65.23 C ATOM 730 CD2 TRP A 49 -22.155 -31.776 -15.826 1.00 72.13 C ATOM 731 NE1 TRP A 49 -21.077 -29.819 -15.978 1.00 33.30 N ATOM 732 CE2 TRP A 49 -22.322 -30.391 -16.007 1.00 34.35 C ATOM 733 CE3 TRP A 49 -23.287 -32.596 -15.818 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -23.575 -29.808 -16.179 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -24.531 -32.016 -15.989 1.00 74.34 C ATOM 736 CH2 TRP A 49 -24.667 -30.633 -16.167 1.00 43.42 C ATOM 0 H TRP A 49 -18.770 -35.324 -14.824 1.00 62.40 H new ATOM 0 HA TRP A 49 -18.699 -32.751 -13.908 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -19.297 -33.470 -16.206 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -20.810 -34.137 -15.625 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -19.073 -30.637 -15.719 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -20.879 -28.824 -16.085 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -23.192 -33.663 -15.681 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -23.681 -28.742 -16.317 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -25.413 -32.640 -15.985 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -25.652 -30.210 -16.297 1.00 43.42 H new ATOM 747 N ALA A 50 -21.467 -34.230 -12.860 1.00 41.34 N ATOM 748 CA ALA A 50 -22.528 -34.188 -11.847 1.00 51.22 C ATOM 749 C ALA A 50 -23.529 -33.051 -12.114 1.00 20.23 C ATOM 750 O ALA A 50 -23.191 -32.048 -12.744 1.00 33.32 O ATOM 751 CB ALA A 50 -21.925 -34.071 -10.444 1.00 54.33 C ATOM 0 H ALA A 50 -21.501 -35.055 -13.459 1.00 41.34 H new ATOM 0 HA ALA A 50 -23.082 -35.124 -11.909 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -22.726 -34.041 -9.705 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -21.285 -34.931 -10.250 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -21.335 -33.157 -10.377 1.00 54.33 H new ATOM 757 N PRO A 51 -24.789 -33.204 -11.659 1.00 55.40 N ATOM 758 CA PRO A 51 -25.818 -32.168 -11.825 1.00 12.22 C ATOM 759 C PRO A 51 -25.534 -30.932 -10.968 1.00 34.03 C ATOM 760 O PRO A 51 -24.602 -30.929 -10.160 1.00 2.20 O ATOM 761 CB PRO A 51 -27.107 -32.867 -11.365 1.00 62.34 C ATOM 762 CG PRO A 51 -26.645 -33.928 -10.423 1.00 64.33 C ATOM 763 CD PRO A 51 -25.314 -34.394 -10.955 1.00 24.12 C ATOM 0 HA PRO A 51 -25.867 -31.797 -12.849 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -27.783 -32.168 -10.873 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -27.649 -33.295 -12.209 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -26.547 -33.537 -9.410 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -27.359 -34.751 -10.379 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -24.649 -34.711 -10.152 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -25.426 -35.243 -11.630 1.00 24.12 H new ATOM 771 N TRP A 52 -26.349 -29.891 -11.151 1.00 52.31 N ATOM 772 CA TRP A 52 -26.204 -28.639 -10.405 1.00 61.04 C ATOM 773 C TRP A 52 -26.092 -28.907 -8.902 1.00 61.45 C ATOM 774 O TRP A 52 -26.991 -29.488 -8.290 1.00 73.15 O ATOM 775 CB TRP A 52 -27.384 -27.695 -10.705 1.00 34.34 C ATOM 776 CG TRP A 52 -28.736 -28.359 -10.625 1.00 2.33 C ATOM 777 CD1 TRP A 52 -29.553 -28.448 -9.532 1.00 55.55 C ATOM 778 CD2 TRP A 52 -29.426 -29.025 -11.692 1.00 2.31 C ATOM 779 NE1 TRP A 52 -30.700 -29.135 -9.855 1.00 21.24 N ATOM 780 CE2 TRP A 52 -30.645 -29.497 -11.175 1.00 34.23 C ATOM 781 CE3 TRP A 52 -29.125 -29.269 -13.036 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -31.564 -30.197 -11.953 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -30.038 -29.964 -13.807 1.00 4.30 C ATOM 784 CH2 TRP A 52 -31.243 -30.420 -13.264 1.00 60.21 C ATOM 0 H TRP A 52 -27.123 -29.891 -11.816 1.00 52.31 H new ATOM 0 HA TRP A 52 -25.283 -28.154 -10.728 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -27.357 -26.862 -10.002 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -27.255 -27.275 -11.702 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -29.330 -28.039 -8.558 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -31.467 -29.341 -9.215 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -28.196 -28.921 -13.464 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -32.496 -30.551 -11.537 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -29.817 -30.158 -14.846 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -31.935 -30.960 -13.893 1.00 60.21 H new ATOM 795 N CYS A 53 -24.979 -28.480 -8.319 1.00 50.22 N ATOM 796 CA CYS A 53 -24.670 -28.768 -6.926 1.00 20.35 C ATOM 797 C CYS A 53 -24.167 -27.518 -6.204 1.00 44.23 C ATOM 798 O CYS A 53 -23.519 -26.660 -6.809 1.00 40.01 O ATOM 799 CB CYS A 53 -23.614 -29.876 -6.869 1.00 43.12 C ATOM 800 SG CYS A 53 -22.162 -29.565 -7.926 1.00 63.30 S ATOM 0 H CYS A 53 -24.268 -27.926 -8.797 1.00 50.22 H new ATOM 0 HA CYS A 53 -25.579 -29.097 -6.422 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -23.282 -29.996 -5.838 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -24.073 -30.818 -7.167 1.00 43.12 H new ATOM 805 N GLY A 54 -24.478 -27.420 -4.914 1.00 43.40 N ATOM 806 CA GLY A 54 -24.025 -26.296 -4.108 1.00 13.40 C ATOM 807 C GLY A 54 -22.688 -26.563 -3.428 1.00 4.44 C ATOM 808 O GLY A 54 -21.696 -25.900 -3.734 1.00 31.03 O ATOM 0 H GLY A 54 -25.040 -28.104 -4.408 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -23.937 -25.413 -4.740 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -24.775 -26.072 -3.350 1.00 13.40 H new ATOM 812 N PRO A 55 -22.628 -27.555 -2.506 1.00 11.55 N ATOM 813 CA PRO A 55 -21.415 -27.858 -1.723 1.00 25.30 C ATOM 814 C PRO A 55 -20.164 -28.031 -2.591 1.00 32.04 C ATOM 815 O PRO A 55 -19.048 -27.725 -2.161 1.00 53.41 O ATOM 816 CB PRO A 55 -21.764 -29.182 -1.025 1.00 54.22 C ATOM 817 CG PRO A 55 -23.250 -29.172 -0.917 1.00 31.01 C ATOM 818 CD PRO A 55 -23.749 -28.452 -2.144 1.00 51.53 C ATOM 0 HA PRO A 55 -21.168 -27.044 -1.042 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -21.415 -30.038 -1.602 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -21.296 -29.247 -0.043 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -23.645 -30.187 -0.872 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.572 -28.664 -0.008 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -23.981 -29.148 -2.950 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.660 -27.891 -1.936 1.00 51.53 H new ATOM 826 N CYS A 56 -20.363 -28.511 -3.816 1.00 70.12 N ATOM 827 CA CYS A 56 -19.256 -28.786 -4.730 1.00 20.13 C ATOM 828 C CYS A 56 -18.416 -27.533 -4.977 1.00 71.35 C ATOM 829 O CYS A 56 -17.216 -27.631 -5.209 1.00 52.03 O ATOM 830 CB CYS A 56 -19.788 -29.338 -6.056 1.00 24.21 C ATOM 831 SG CYS A 56 -21.031 -28.270 -6.848 1.00 62.21 S ATOM 0 H CYS A 56 -21.285 -28.719 -4.200 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.614 -29.534 -4.265 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -18.953 -29.478 -6.742 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -20.225 -30.321 -5.881 1.00 24.21 H new ATOM 836 N ARG A 57 -19.045 -26.358 -4.890 1.00 42.14 N ATOM 837 CA ARG A 57 -18.352 -25.088 -5.114 1.00 30.24 C ATOM 838 C ARG A 57 -17.120 -24.962 -4.216 1.00 54.23 C ATOM 839 O ARG A 57 -16.091 -24.442 -4.638 1.00 53.21 O ATOM 840 CB ARG A 57 -19.300 -23.900 -4.881 1.00 42.45 C ATOM 841 CG ARG A 57 -20.271 -23.652 -6.034 1.00 14.45 C ATOM 842 CD ARG A 57 -21.224 -22.500 -5.734 1.00 71.53 C ATOM 843 NE ARG A 57 -21.888 -22.001 -6.943 1.00 20.02 N ATOM 844 CZ ARG A 57 -22.915 -21.148 -6.939 1.00 74.44 C ATOM 845 NH1 ARG A 57 -23.459 -20.760 -5.793 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -23.406 -20.681 -8.082 1.00 33.01 N ATOM 0 H ARG A 57 -20.035 -26.261 -4.665 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.021 -25.073 -6.152 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -19.871 -24.076 -3.969 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -18.707 -23.000 -4.718 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -19.709 -23.432 -6.942 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -20.845 -24.558 -6.227 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -21.977 -22.830 -5.018 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -20.672 -21.687 -5.263 1.00 71.53 H new ATOM 0 HE ARG A 57 -21.543 -22.327 -7.846 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -23.093 -21.114 -4.909 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -24.243 -20.108 -5.796 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -22.998 -20.974 -8.970 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -24.191 -20.030 -8.072 1.00 33.01 H new ATOM 860 N SER A 58 -17.237 -25.409 -2.971 1.00 22.42 N ATOM 861 CA SER A 58 -16.095 -25.448 -2.057 1.00 70.35 C ATOM 862 C SER A 58 -15.157 -26.607 -2.419 1.00 50.02 C ATOM 863 O SER A 58 -13.921 -26.464 -2.442 1.00 63.20 O ATOM 864 CB SER A 58 -16.586 -25.579 -0.612 1.00 12.11 C ATOM 865 OG SER A 58 -17.455 -24.508 -0.276 1.00 40.31 O ATOM 0 H SER A 58 -18.110 -25.750 -2.569 1.00 22.42 H new ATOM 0 HA SER A 58 -15.535 -24.517 -2.152 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.106 -26.529 -0.484 1.00 12.11 H new ATOM 0 HB3 SER A 58 -15.733 -25.588 0.067 1.00 12.11 H new ATOM 0 HG SER A 58 -17.759 -24.611 0.650 1.00 40.31 H new ATOM 871 N LEU A 59 -15.760 -27.750 -2.731 1.00 35.33 N ATOM 872 CA LEU A 59 -15.012 -28.970 -3.012 1.00 33.30 C ATOM 873 C LEU A 59 -14.096 -28.815 -4.223 1.00 51.22 C ATOM 874 O LEU A 59 -13.033 -29.422 -4.261 1.00 44.13 O ATOM 875 CB LEU A 59 -15.965 -30.159 -3.211 1.00 34.51 C ATOM 876 CG LEU A 59 -16.369 -30.912 -1.929 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.135 -31.462 -1.217 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.180 -30.014 -0.994 1.00 63.33 C ATOM 0 H LEU A 59 -16.772 -27.856 -2.796 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.380 -29.165 -2.146 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -16.870 -29.798 -3.699 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.496 -30.867 -3.894 1.00 34.51 H new ATOM 0 HG LEU A 59 -17.002 -31.751 -2.217 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.441 -31.990 -0.314 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.609 -32.150 -1.879 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.473 -30.639 -0.949 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.451 -30.572 -0.098 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -16.583 -29.146 -0.714 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.085 -29.682 -1.503 1.00 63.33 H new ATOM 890 N GLU A 60 -14.493 -28.001 -5.204 1.00 25.40 N ATOM 891 CA GLU A 60 -13.676 -27.811 -6.404 1.00 51.24 C ATOM 892 C GLU A 60 -12.286 -27.262 -6.036 1.00 31.13 C ATOM 893 O GLU A 60 -11.280 -27.930 -6.286 1.00 60.23 O ATOM 894 CB GLU A 60 -14.381 -26.911 -7.440 1.00 44.05 C ATOM 895 CG GLU A 60 -15.673 -27.500 -8.000 1.00 51.15 C ATOM 896 CD GLU A 60 -16.300 -26.619 -9.073 1.00 40.34 C ATOM 897 OE1 GLU A 60 -17.222 -25.840 -8.755 1.00 65.12 O ATOM 898 OE2 GLU A 60 -15.860 -26.701 -10.243 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.363 -27.469 -5.192 1.00 25.40 H new ATOM 0 HA GLU A 60 -13.541 -28.787 -6.870 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -14.603 -25.949 -6.978 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -13.695 -26.718 -8.265 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -15.468 -28.485 -8.418 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -16.386 -27.641 -7.188 1.00 51.15 H new ATOM 905 N PRO A 61 -12.186 -26.058 -5.410 1.00 40.44 N ATOM 906 CA PRO A 61 -10.897 -25.519 -4.974 1.00 20.54 C ATOM 907 C PRO A 61 -10.232 -26.399 -3.914 1.00 64.23 C ATOM 908 O PRO A 61 -9.003 -26.441 -3.828 1.00 41.33 O ATOM 909 CB PRO A 61 -11.236 -24.127 -4.410 1.00 61.44 C ATOM 910 CG PRO A 61 -12.688 -24.188 -4.093 1.00 3.54 C ATOM 911 CD PRO A 61 -13.288 -25.124 -5.105 1.00 61.33 C ATOM 0 HA PRO A 61 -10.180 -25.477 -5.794 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -10.646 -23.906 -3.520 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.022 -23.343 -5.137 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -12.852 -24.551 -3.079 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.144 -23.200 -4.155 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.156 -25.646 -4.703 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -13.620 -24.591 -5.996 1.00 61.33 H new ATOM 919 N GLN A 62 -11.032 -27.107 -3.106 1.00 1.31 N ATOM 920 CA GLN A 62 -10.453 -28.035 -2.127 1.00 64.23 C ATOM 921 C GLN A 62 -9.720 -29.171 -2.846 1.00 72.30 C ATOM 922 O GLN A 62 -8.593 -29.522 -2.490 1.00 45.13 O ATOM 923 CB GLN A 62 -11.517 -28.612 -1.184 1.00 52.44 C ATOM 924 CG GLN A 62 -12.206 -27.569 -0.310 1.00 75.21 C ATOM 925 CD GLN A 62 -13.082 -28.190 0.767 1.00 5.22 C ATOM 926 OE1 GLN A 62 -12.754 -29.233 1.323 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.215 -27.570 1.050 1.00 34.41 N ATOM 0 H GLN A 62 -12.051 -27.059 -3.108 1.00 1.31 H new ATOM 0 HA GLN A 62 -9.745 -27.470 -1.520 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.271 -29.129 -1.777 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.051 -29.359 -0.541 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.451 -26.939 0.160 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -12.816 -26.920 -0.939 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -14.457 -26.704 0.568 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -14.847 -27.958 1.750 1.00 34.41 H new ATOM 936 N LEU A 63 -10.357 -29.716 -3.880 1.00 4.32 N ATOM 937 CA LEU A 63 -9.776 -30.799 -4.667 1.00 24.11 C ATOM 938 C LEU A 63 -8.523 -30.318 -5.383 1.00 34.30 C ATOM 939 O LEU A 63 -7.494 -30.994 -5.375 1.00 14.04 O ATOM 940 CB LEU A 63 -10.784 -31.336 -5.695 1.00 72.32 C ATOM 941 CG LEU A 63 -11.969 -32.119 -5.111 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.975 -32.480 -6.202 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.482 -33.372 -4.391 1.00 74.14 C ATOM 0 H LEU A 63 -11.282 -29.422 -4.193 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.514 -31.606 -3.983 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.174 -30.495 -6.269 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.254 -31.982 -6.395 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.473 -31.480 -4.386 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.805 -33.034 -5.763 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.352 -31.568 -6.665 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.487 -33.096 -6.958 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.336 -33.913 -3.984 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.949 -34.012 -5.094 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.812 -33.088 -3.579 1.00 74.14 H new ATOM 955 N GLU A 64 -8.616 -29.141 -5.995 1.00 4.53 N ATOM 956 CA GLU A 64 -7.486 -28.567 -6.710 1.00 14.32 C ATOM 957 C GLU A 64 -6.336 -28.285 -5.754 1.00 63.35 C ATOM 958 O GLU A 64 -5.177 -28.417 -6.122 1.00 10.34 O ATOM 959 CB GLU A 64 -7.894 -27.288 -7.443 1.00 61.33 C ATOM 960 CG GLU A 64 -8.992 -27.507 -8.474 1.00 42.54 C ATOM 961 CD GLU A 64 -9.199 -26.301 -9.371 1.00 13.44 C ATOM 962 OE1 GLU A 64 -9.657 -25.253 -8.872 1.00 52.13 O ATOM 963 OE2 GLU A 64 -8.904 -26.399 -10.581 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.461 -28.569 -6.009 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.153 -29.293 -7.452 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.232 -26.552 -6.714 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.019 -26.867 -7.938 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.742 -28.373 -9.087 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -9.926 -27.738 -7.961 1.00 42.54 H new ATOM 970 N LYS A 65 -6.665 -27.910 -4.522 1.00 0.43 N ATOM 971 CA LYS A 65 -5.653 -27.671 -3.499 1.00 4.21 C ATOM 972 C LYS A 65 -4.852 -28.946 -3.241 1.00 63.22 C ATOM 973 O LYS A 65 -3.615 -28.924 -3.218 1.00 64.34 O ATOM 974 CB LYS A 65 -6.306 -27.159 -2.205 1.00 2.10 C ATOM 975 CG LYS A 65 -5.336 -27.001 -1.034 1.00 73.25 C ATOM 976 CD LYS A 65 -5.877 -26.043 0.027 1.00 53.43 C ATOM 977 CE LYS A 65 -7.178 -26.539 0.655 1.00 74.54 C ATOM 978 NZ LYS A 65 -6.963 -27.711 1.543 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.625 -27.765 -4.208 1.00 0.43 H new ATOM 0 HA LYS A 65 -4.967 -26.903 -3.856 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.777 -26.196 -2.405 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.100 -27.847 -1.915 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.150 -27.975 -0.583 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.379 -26.632 -1.402 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -5.128 -25.910 0.808 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -6.045 -25.065 -0.423 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -7.634 -25.731 1.227 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -7.881 -26.807 -0.134 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -7.873 -28.013 1.946 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -6.552 -28.492 0.993 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -6.313 -27.449 2.312 1.00 62.51 H new ATOM 992 N LEU A 66 -5.565 -30.057 -3.076 1.00 12.42 N ATOM 993 CA LEU A 66 -4.923 -31.349 -2.866 1.00 2.43 C ATOM 994 C LEU A 66 -4.187 -31.770 -4.133 1.00 60.12 C ATOM 995 O LEU A 66 -3.113 -32.365 -4.073 1.00 51.14 O ATOM 996 CB LEU A 66 -5.952 -32.424 -2.472 1.00 45.35 C ATOM 997 CG LEU A 66 -6.860 -32.057 -1.286 1.00 74.51 C ATOM 998 CD1 LEU A 66 -7.825 -33.194 -0.974 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.030 -31.700 -0.053 1.00 41.11 C ATOM 0 H LEU A 66 -6.585 -30.088 -3.084 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.210 -31.249 -2.047 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.580 -32.638 -3.337 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.419 -33.343 -2.230 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.444 -31.180 -1.566 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.458 -32.913 -0.132 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.448 -33.392 -1.846 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.260 -34.091 -0.720 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -6.695 -31.444 0.772 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.413 -32.553 0.230 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.389 -30.848 -0.280 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.771 -31.432 -5.282 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.180 -31.757 -6.574 1.00 1.23 C ATOM 1013 C ALA A 67 -2.845 -31.043 -6.737 1.00 3.40 C ATOM 1014 O ALA A 67 -1.875 -31.629 -7.196 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.128 -31.384 -7.709 1.00 34.31 C ATOM 0 H ALA A 67 -5.657 -30.931 -5.341 1.00 43.32 H new ATOM 0 HA ALA A 67 -4.007 -32.832 -6.614 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.668 -31.635 -8.665 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.061 -31.936 -7.600 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.333 -30.314 -7.675 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.804 -29.777 -6.339 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.585 -28.975 -6.410 1.00 34.53 C ATOM 1023 C GLN A 68 -0.547 -29.514 -5.435 1.00 14.40 C ATOM 1024 O GLN A 68 0.632 -29.653 -5.770 1.00 34.01 O ATOM 1025 CB GLN A 68 -1.895 -27.507 -6.073 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.849 -26.831 -7.055 1.00 63.23 C ATOM 1027 CD GLN A 68 -3.278 -25.439 -6.613 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.311 -25.131 -5.422 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -3.646 -24.601 -7.572 1.00 35.24 N ATOM 0 H GLN A 68 -3.609 -29.278 -5.960 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.189 -29.033 -7.424 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.325 -27.458 -5.073 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -0.961 -26.946 -6.046 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -2.368 -26.763 -8.031 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.734 -27.455 -7.179 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.604 -24.893 -8.548 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -3.971 -23.664 -7.334 1.00 35.24 H new ATOM 1038 N GLN A 69 -1.004 -29.823 -4.227 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.129 -30.293 -3.158 1.00 22.40 C ATOM 1040 C GLN A 69 0.450 -31.679 -3.478 1.00 3.21 C ATOM 1041 O GLN A 69 1.617 -31.955 -3.187 1.00 75.41 O ATOM 1042 CB GLN A 69 -0.916 -30.335 -1.839 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.074 -30.672 -0.614 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.887 -30.681 0.670 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -1.016 -29.524 1.300 1.00 65.51 O flip ATOM 1046 NE2 GLN A 69 -1.411 -31.714 1.082 1.00 31.30 N flip ATOM 0 H GLN A 69 -1.986 -29.756 -3.961 1.00 23.22 H new ATOM 0 HA GLN A 69 0.708 -29.601 -3.064 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.392 -29.367 -1.683 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.715 -31.071 -1.930 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.389 -31.649 -0.753 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.734 -29.947 -0.523 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.289 -32.587 0.569 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -1.968 -31.698 1.937 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.377 -32.538 -4.073 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.015 -33.937 -4.330 1.00 60.14 C ATOM 1057 C TYR A 70 0.308 -34.205 -5.806 1.00 40.42 C ATOM 1058 O TYR A 70 0.530 -35.354 -6.185 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.142 -34.876 -3.872 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.472 -34.774 -2.394 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.786 -34.631 -1.961 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.467 -34.821 -1.433 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -3.088 -34.537 -0.618 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.765 -34.727 -0.087 1.00 4.24 C ATOM 1065 CZ TYR A 70 -2.076 -34.585 0.313 1.00 51.45 C ATOM 1066 OH TYR A 70 -2.375 -34.484 1.651 1.00 12.52 O ATOM 0 H TYR A 70 -1.314 -32.288 -4.390 1.00 14.41 H new ATOM 0 HA TYR A 70 0.890 -34.134 -3.755 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.040 -34.657 -4.450 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -0.859 -35.904 -4.100 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.583 -34.593 -2.688 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.561 -34.933 -1.744 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -4.114 -34.426 -0.299 1.00 62.24 H new ATOM 0 HE2 TYR A 70 0.026 -34.765 0.648 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.549 -34.537 2.176 1.00 12.52 H new ATOM 1076 N THR A 71 0.319 -33.161 -6.637 1.00 61.35 N ATOM 1077 CA THR A 71 0.455 -33.324 -8.096 1.00 51.44 C ATOM 1078 C THR A 71 1.684 -34.162 -8.480 1.00 2.11 C ATOM 1079 O THR A 71 1.745 -34.713 -9.584 1.00 63.31 O ATOM 1080 CB THR A 71 0.509 -31.960 -8.831 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.396 -32.157 -10.252 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.797 -31.201 -8.519 1.00 4.22 C ATOM 0 H THR A 71 0.236 -32.192 -6.330 1.00 61.35 H new ATOM 0 HA THR A 71 -0.439 -33.860 -8.416 1.00 51.44 H new ATOM 0 HB THR A 71 -0.330 -31.362 -8.476 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.430 -31.289 -10.706 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.798 -30.250 -9.052 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.859 -31.015 -7.447 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.655 -31.795 -8.835 1.00 4.22 H new ATOM 1090 N GLU A 72 2.647 -34.271 -7.566 1.00 51.24 N ATOM 1091 CA GLU A 72 3.859 -35.051 -7.806 1.00 74.02 C ATOM 1092 C GLU A 72 3.524 -36.531 -8.009 1.00 60.10 C ATOM 1093 O GLU A 72 4.249 -37.254 -8.697 1.00 53.34 O ATOM 1094 CB GLU A 72 4.835 -34.900 -6.631 1.00 21.44 C ATOM 1095 CG GLU A 72 5.162 -33.452 -6.279 1.00 35.12 C ATOM 1096 CD GLU A 72 5.775 -32.684 -7.441 1.00 32.11 C ATOM 1097 OE1 GLU A 72 5.040 -31.943 -8.126 1.00 53.51 O ATOM 1098 OE2 GLU A 72 6.999 -32.803 -7.663 1.00 0.13 O1- ATOM 0 H GLU A 72 2.610 -33.827 -6.649 1.00 51.24 H new ATOM 0 HA GLU A 72 4.328 -34.670 -8.713 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.411 -35.389 -5.754 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.761 -35.423 -6.871 1.00 21.44 H new ATOM 0 HG2 GLU A 72 4.251 -32.947 -5.957 1.00 35.12 H new ATOM 0 HG3 GLU A 72 5.852 -33.435 -5.435 1.00 35.12 H new ATOM 1105 N ASN A 73 2.434 -36.981 -7.386 1.00 54.34 N ATOM 1106 CA ASN A 73 1.982 -38.370 -7.509 1.00 53.33 C ATOM 1107 C ASN A 73 0.494 -38.434 -7.851 1.00 50.23 C ATOM 1108 O ASN A 73 -0.083 -39.517 -7.908 1.00 40.15 O ATOM 1109 CB ASN A 73 2.225 -39.149 -6.205 1.00 52.25 C ATOM 1110 CG ASN A 73 3.672 -39.123 -5.737 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.496 -39.934 -6.170 1.00 52.33 O ATOM 1112 ND2 ASN A 73 3.982 -38.218 -4.823 1.00 3.30 N ATOM 0 H ASN A 73 1.845 -36.402 -6.788 1.00 54.34 H new ATOM 0 HA ASN A 73 2.559 -38.824 -8.314 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.591 -38.734 -5.421 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.917 -40.185 -6.348 1.00 52.25 H new ATOM 0 HD21 ASN A 73 4.931 -38.173 -4.451 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.272 -37.565 -4.491 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.124 -37.278 -8.075 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.571 -37.200 -8.308 1.00 72.51 C ATOM 1121 C VAL A 74 -1.891 -36.311 -9.507 1.00 33.41 C ATOM 1122 O VAL A 74 -1.159 -35.367 -9.809 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.313 -36.657 -7.050 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.784 -36.364 -7.338 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.183 -37.639 -5.890 1.00 50.05 C ATOM 0 H VAL A 74 0.353 -36.377 -8.101 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.917 -38.212 -8.516 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.840 -35.715 -6.773 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.264 -35.988 -6.434 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.858 -35.616 -8.127 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.281 -37.279 -7.658 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.707 -37.245 -5.019 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.620 -38.597 -6.173 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.129 -37.778 -5.648 1.00 50.05 H new ATOM 1135 N LYS A 75 -2.982 -36.627 -10.195 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.476 -35.802 -11.290 1.00 20.41 C ATOM 1137 C LYS A 75 -4.974 -36.053 -11.478 1.00 63.15 C ATOM 1138 O LYS A 75 -5.408 -37.201 -11.585 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.700 -36.104 -12.584 1.00 33.32 C ATOM 1140 CG LYS A 75 -2.909 -35.066 -13.683 1.00 15.44 C ATOM 1141 CD LYS A 75 -2.378 -33.676 -13.295 1.00 32.33 C ATOM 1142 CE LYS A 75 -0.848 -33.626 -13.200 1.00 62.53 C ATOM 1143 NZ LYS A 75 -0.321 -34.138 -11.902 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.546 -37.457 -10.011 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.322 -34.750 -11.049 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.637 -36.166 -12.353 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.002 -37.082 -12.958 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.410 -35.400 -14.593 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -3.972 -34.994 -13.911 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -2.715 -32.946 -14.030 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -2.806 -33.384 -12.336 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -0.421 -34.212 -14.014 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -0.516 -32.597 -13.339 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 0.155 -33.367 -11.392 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -1.108 -34.499 -11.326 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 0.358 -34.905 -12.081 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.759 -34.979 -11.496 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.216 -35.092 -11.576 1.00 43.12 C ATOM 1159 C ILE A 76 -7.720 -34.709 -12.968 1.00 51.15 C ATOM 1160 O ILE A 76 -7.206 -33.776 -13.590 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.911 -34.196 -10.514 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.366 -34.513 -9.109 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.430 -34.385 -10.556 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -8.010 -33.705 -7.998 1.00 73.14 C ATOM 0 H ILE A 76 -5.413 -34.020 -11.456 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.468 -36.134 -11.378 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.692 -33.154 -10.746 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.513 -35.574 -8.905 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.291 -34.333 -9.099 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.897 -33.748 -9.804 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.803 -34.114 -11.544 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.673 -35.427 -10.350 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.571 -33.988 -7.041 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.841 -32.643 -8.175 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.082 -33.903 -7.978 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.720 -35.441 -13.446 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.367 -35.163 -14.724 1.00 12.22 C ATOM 1178 C TYR A 77 -10.865 -34.970 -14.514 1.00 34.33 C ATOM 1179 O TYR A 77 -11.383 -35.208 -13.423 1.00 1.44 O ATOM 1180 CB TYR A 77 -9.131 -36.307 -15.723 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.671 -36.535 -16.073 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.916 -37.470 -15.383 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -7.054 -35.822 -17.094 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.589 -37.690 -15.694 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.726 -36.035 -17.411 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.999 -36.970 -16.708 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.676 -37.190 -17.025 1.00 22.34 O ATOM 0 H TYR A 77 -9.107 -36.248 -12.956 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.932 -34.251 -15.134 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.542 -37.227 -15.308 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.684 -36.095 -16.638 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -7.374 -38.037 -14.587 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.622 -35.090 -17.649 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -5.017 -38.423 -15.145 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -5.261 -35.471 -18.206 1.00 34.01 H new ATOM 0 HH TYR A 77 -3.414 -36.601 -17.764 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.552 -34.543 -15.566 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.996 -34.333 -15.530 1.00 3.41 C ATOM 1199 C LYS A 78 -13.603 -34.658 -16.891 1.00 25.15 C ATOM 1200 O LYS A 78 -13.025 -34.325 -17.929 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.318 -32.877 -15.154 1.00 53.32 C ATOM 1202 CG LYS A 78 -14.799 -32.511 -15.270 1.00 32.43 C ATOM 1203 CD LYS A 78 -15.032 -31.010 -15.084 1.00 31.14 C ATOM 1204 CE LYS A 78 -14.922 -30.575 -13.625 1.00 3.31 C ATOM 1205 NZ LYS A 78 -16.084 -31.039 -12.820 1.00 62.33 N1+ ATOM 0 H LYS A 78 -11.125 -34.332 -16.468 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.424 -34.994 -14.776 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -12.990 -32.697 -14.130 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -12.740 -32.212 -15.795 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -15.174 -32.818 -16.246 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -15.369 -33.062 -14.522 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -14.306 -30.457 -15.680 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -16.020 -30.750 -15.463 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -14.002 -30.971 -13.196 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -14.855 -29.488 -13.574 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -16.169 -30.455 -11.964 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -16.953 -30.954 -13.385 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -15.943 -32.033 -12.548 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.756 -35.317 -16.879 1.00 35.25 N ATOM 1220 CA ILE A 79 -15.505 -35.586 -18.101 1.00 51.22 C ATOM 1221 C ILE A 79 -16.585 -34.520 -18.274 1.00 13.33 C ATOM 1222 O ILE A 79 -17.636 -34.578 -17.632 1.00 3.23 O ATOM 1223 CB ILE A 79 -16.155 -36.997 -18.084 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -15.081 -38.088 -17.917 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -16.968 -37.238 -19.357 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -14.050 -38.121 -19.030 1.00 50.20 C ATOM 0 H ILE A 79 -15.195 -35.677 -16.031 1.00 35.25 H new ATOM 0 HA ILE A 79 -14.808 -35.557 -18.939 1.00 51.22 H new ATOM 0 HB ILE A 79 -16.833 -37.046 -17.232 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -14.569 -37.936 -16.967 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -15.572 -39.060 -17.862 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -17.413 -38.232 -19.322 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -17.757 -36.490 -19.432 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -16.314 -37.164 -20.226 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -13.331 -38.917 -18.836 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -14.548 -38.306 -19.982 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -13.530 -37.164 -19.072 1.00 50.20 H new ATOM 1238 N ASN A 80 -16.298 -33.526 -19.113 1.00 52.33 N ATOM 1239 CA ASN A 80 -17.225 -32.417 -19.354 1.00 2.04 C ATOM 1240 C ASN A 80 -18.414 -32.873 -20.192 1.00 60.11 C ATOM 1241 O ASN A 80 -19.456 -32.215 -20.215 1.00 23.20 O ATOM 1242 CB ASN A 80 -16.511 -31.252 -20.062 1.00 23.44 C ATOM 1243 CG ASN A 80 -15.429 -30.612 -19.206 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -14.806 -31.270 -18.375 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -15.201 -29.321 -19.403 1.00 24.31 N ATOM 0 H ASN A 80 -15.427 -33.464 -19.640 1.00 52.33 H new ATOM 0 HA ASN A 80 -17.588 -32.074 -18.385 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -16.067 -31.615 -20.989 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -17.246 -30.495 -20.336 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -14.488 -28.840 -18.855 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -15.739 -28.809 -20.102 1.00 24.31 H new ATOM 1252 N ILE A 81 -18.249 -34.000 -20.880 1.00 22.21 N ATOM 1253 CA ILE A 81 -19.297 -34.535 -21.739 1.00 54.13 C ATOM 1254 C ILE A 81 -20.443 -35.098 -20.897 1.00 65.23 C ATOM 1255 O ILE A 81 -20.460 -36.282 -20.555 1.00 21.40 O ATOM 1256 CB ILE A 81 -18.761 -35.636 -22.694 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -17.547 -35.110 -23.482 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -19.864 -36.097 -23.651 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -16.925 -36.131 -24.415 1.00 64.23 C ATOM 0 H ILE A 81 -17.397 -34.560 -20.858 1.00 22.21 H new ATOM 0 HA ILE A 81 -19.663 -33.710 -22.350 1.00 54.13 H new ATOM 0 HB ILE A 81 -18.444 -36.492 -22.098 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -17.854 -34.241 -24.064 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -16.789 -34.769 -22.776 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -19.472 -36.869 -24.313 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -20.698 -36.501 -23.077 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -20.208 -35.250 -24.244 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -16.077 -35.682 -24.932 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -16.585 -36.991 -23.838 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -17.666 -36.455 -25.146 1.00 64.23 H new ATOM 1271 N GLU A 82 -21.391 -34.230 -20.556 1.00 34.03 N ATOM 1272 CA GLU A 82 -22.545 -34.609 -19.740 1.00 12.21 C ATOM 1273 C GLU A 82 -23.415 -35.648 -20.452 1.00 64.13 C ATOM 1274 O GLU A 82 -24.236 -36.323 -19.827 1.00 42.22 O ATOM 1275 CB GLU A 82 -23.373 -33.365 -19.382 1.00 14.33 C ATOM 1276 CG GLU A 82 -23.755 -32.509 -20.584 1.00 12.32 C ATOM 1277 CD GLU A 82 -24.618 -31.315 -20.208 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -24.067 -30.297 -19.732 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -25.849 -31.383 -20.403 1.00 51.21 O1- ATOM 0 H GLU A 82 -21.383 -33.249 -20.835 1.00 34.03 H new ATOM 0 HA GLU A 82 -22.174 -35.063 -18.821 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -24.282 -33.681 -18.870 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -22.807 -32.754 -18.679 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -22.848 -32.156 -21.075 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -24.290 -33.125 -21.307 1.00 12.32 H new ATOM 1286 N ASP A 83 -23.244 -35.753 -21.767 1.00 63.52 N ATOM 1287 CA ASP A 83 -23.984 -36.718 -22.582 1.00 11.04 C ATOM 1288 C ASP A 83 -23.436 -38.136 -22.404 1.00 33.50 C ATOM 1289 O ASP A 83 -24.096 -39.117 -22.765 1.00 21.21 O ATOM 1290 CB ASP A 83 -23.925 -36.310 -24.063 1.00 23.45 C ATOM 1291 CG ASP A 83 -24.640 -34.994 -24.338 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -24.247 -33.963 -23.751 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -25.588 -34.977 -25.153 1.00 25.20 O1- ATOM 0 H ASP A 83 -22.592 -35.175 -22.298 1.00 63.52 H new ATOM 0 HA ASP A 83 -25.022 -36.716 -22.248 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -22.883 -36.224 -24.371 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -24.373 -37.096 -24.671 1.00 23.45 H new ATOM 1298 N ASN A 84 -22.231 -38.250 -21.841 1.00 32.21 N ATOM 1299 CA ASN A 84 -21.610 -39.556 -21.624 1.00 13.34 C ATOM 1300 C ASN A 84 -22.078 -40.141 -20.296 1.00 61.05 C ATOM 1301 O ASN A 84 -21.524 -39.838 -19.237 1.00 23.22 O ATOM 1302 CB ASN A 84 -20.071 -39.455 -21.656 1.00 61.11 C ATOM 1303 CG ASN A 84 -19.370 -40.809 -21.521 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -19.853 -41.727 -20.851 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -18.222 -40.948 -22.168 1.00 3.45 N ATOM 0 H ASN A 84 -21.669 -37.458 -21.529 1.00 32.21 H new ATOM 0 HA ASN A 84 -21.917 -40.219 -22.433 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -19.764 -38.987 -22.592 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -19.740 -38.801 -20.849 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -17.713 -41.831 -22.120 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -17.847 -40.172 -22.714 1.00 3.45 H new ATOM 1312 N GLN A 85 -23.126 -40.953 -20.357 1.00 14.34 N ATOM 1313 CA GLN A 85 -23.640 -41.633 -19.173 1.00 73.43 C ATOM 1314 C GLN A 85 -22.911 -42.959 -18.968 1.00 30.44 C ATOM 1315 O GLN A 85 -22.881 -43.494 -17.859 1.00 11.40 O ATOM 1316 CB GLN A 85 -25.150 -41.874 -19.307 1.00 62.01 C ATOM 1317 CG GLN A 85 -25.775 -42.554 -18.092 1.00 14.43 C ATOM 1318 CD GLN A 85 -27.254 -42.843 -18.274 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -27.963 -42.113 -18.965 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -27.728 -43.913 -17.658 1.00 22.33 N ATOM 0 H GLN A 85 -23.638 -41.157 -21.215 1.00 14.34 H new ATOM 0 HA GLN A 85 -23.465 -40.998 -18.305 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -25.648 -40.919 -19.473 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -25.334 -42.487 -20.189 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -25.249 -43.488 -17.894 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -25.639 -41.919 -17.216 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -27.107 -44.493 -17.094 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -28.714 -44.158 -17.747 1.00 22.33 H new ATOM 1329 N ASP A 86 -22.302 -43.463 -20.043 1.00 11.41 N ATOM 1330 CA ASP A 86 -21.611 -44.758 -20.032 1.00 44.11 C ATOM 1331 C ASP A 86 -20.777 -44.926 -18.766 1.00 63.32 C ATOM 1332 O ASP A 86 -20.999 -45.849 -17.976 1.00 33.14 O ATOM 1333 CB ASP A 86 -20.703 -44.888 -21.269 1.00 54.34 C ATOM 1334 CG ASP A 86 -21.479 -44.869 -22.578 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -21.597 -45.935 -23.225 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -21.981 -43.792 -22.965 1.00 5.23 O1- ATOM 0 H ASP A 86 -22.273 -42.988 -20.945 1.00 11.41 H new ATOM 0 HA ASP A 86 -22.369 -45.541 -20.054 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -19.979 -44.073 -21.270 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -20.137 -45.817 -21.202 1.00 54.34 H new ATOM 1341 N VAL A 87 -19.844 -44.002 -18.563 1.00 53.31 N ATOM 1342 CA VAL A 87 -18.959 -44.032 -17.401 1.00 43.31 C ATOM 1343 C VAL A 87 -19.761 -43.970 -16.099 1.00 71.01 C ATOM 1344 O VAL A 87 -19.393 -44.595 -15.103 1.00 44.23 O ATOM 1345 CB VAL A 87 -17.939 -42.862 -17.439 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -16.987 -42.920 -16.244 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -17.159 -42.873 -18.753 1.00 22.14 C ATOM 0 H VAL A 87 -19.679 -43.217 -19.193 1.00 53.31 H new ATOM 0 HA VAL A 87 -18.412 -44.974 -17.437 1.00 43.31 H new ATOM 0 HB VAL A 87 -18.496 -41.927 -17.376 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -16.284 -42.088 -16.298 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -17.560 -42.852 -15.319 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -16.437 -43.861 -16.262 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -16.449 -42.046 -18.762 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -16.620 -43.815 -18.848 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -17.851 -42.765 -19.588 1.00 22.14 H new ATOM 1357 N ALA A 88 -20.877 -43.240 -16.125 1.00 74.24 N ATOM 1358 CA ALA A 88 -21.690 -43.037 -14.932 1.00 11.24 C ATOM 1359 C ALA A 88 -22.346 -44.344 -14.504 1.00 40.14 C ATOM 1360 O ALA A 88 -22.306 -44.722 -13.330 1.00 31.23 O ATOM 1361 CB ALA A 88 -22.746 -41.964 -15.180 1.00 44.41 C ATOM 0 H ALA A 88 -21.236 -42.780 -16.962 1.00 74.24 H new ATOM 0 HA ALA A 88 -21.039 -42.699 -14.126 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -23.343 -41.826 -14.279 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -22.257 -41.025 -15.438 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -23.393 -42.273 -16.000 1.00 44.41 H new ATOM 1367 N THR A 89 -22.935 -45.035 -15.471 1.00 43.13 N ATOM 1368 CA THR A 89 -23.607 -46.300 -15.218 1.00 3.03 C ATOM 1369 C THR A 89 -22.596 -47.377 -14.818 1.00 72.34 C ATOM 1370 O THR A 89 -22.842 -48.168 -13.904 1.00 54.24 O ATOM 1371 CB THR A 89 -24.395 -46.767 -16.466 1.00 23.32 C ATOM 1372 OG1 THR A 89 -25.205 -45.690 -16.966 1.00 72.42 O ATOM 1373 CG2 THR A 89 -25.287 -47.958 -16.136 1.00 3.52 C ATOM 0 H THR A 89 -22.960 -44.736 -16.446 1.00 43.13 H new ATOM 0 HA THR A 89 -24.308 -46.145 -14.397 1.00 3.03 H new ATOM 0 HB THR A 89 -23.675 -47.070 -17.226 1.00 23.32 H new ATOM 0 HG1 THR A 89 -25.699 -45.992 -17.756 1.00 72.42 H new ATOM 0 HG21 THR A 89 -25.829 -48.265 -17.030 1.00 3.52 H new ATOM 0 HG22 THR A 89 -24.673 -48.786 -15.782 1.00 3.52 H new ATOM 0 HG23 THR A 89 -25.998 -47.676 -15.360 1.00 3.52 H new ATOM 1381 N GLN A 90 -21.455 -47.382 -15.499 1.00 45.13 N ATOM 1382 CA GLN A 90 -20.415 -48.382 -15.266 1.00 11.14 C ATOM 1383 C GLN A 90 -19.797 -48.245 -13.872 1.00 24.42 C ATOM 1384 O GLN A 90 -19.600 -49.241 -13.169 1.00 33.43 O ATOM 1385 CB GLN A 90 -19.327 -48.268 -16.343 1.00 21.33 C ATOM 1386 CG GLN A 90 -19.792 -48.695 -17.731 1.00 23.40 C ATOM 1387 CD GLN A 90 -20.286 -50.133 -17.772 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -21.472 -50.406 -17.570 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -19.382 -51.059 -18.031 1.00 52.44 N ATOM 0 H GLN A 90 -21.225 -46.700 -16.222 1.00 45.13 H new ATOM 0 HA GLN A 90 -20.880 -49.366 -15.323 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -18.979 -47.236 -16.388 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -18.474 -48.880 -16.051 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -20.591 -48.032 -18.061 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -18.969 -48.578 -18.436 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -18.411 -50.793 -18.192 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -19.655 -52.041 -18.070 1.00 52.44 H new ATOM 1398 N TYR A 91 -19.495 -47.016 -13.468 1.00 23.00 N ATOM 1399 CA TYR A 91 -18.834 -46.774 -12.185 1.00 63.04 C ATOM 1400 C TYR A 91 -19.827 -46.358 -11.105 1.00 53.41 C ATOM 1401 O TYR A 91 -19.457 -46.198 -9.943 1.00 53.15 O ATOM 1402 CB TYR A 91 -17.719 -45.734 -12.350 1.00 50.03 C ATOM 1403 CG TYR A 91 -16.542 -46.270 -13.146 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -15.496 -46.925 -12.505 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -16.489 -46.150 -14.532 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -14.433 -47.440 -13.218 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -15.425 -46.661 -15.250 1.00 43.30 C ATOM 1408 CZ TYR A 91 -14.402 -47.306 -14.588 1.00 51.11 C ATOM 1409 OH TYR A 91 -13.345 -47.827 -15.299 1.00 21.33 O ATOM 0 H TYR A 91 -19.695 -46.173 -14.006 1.00 23.00 H new ATOM 0 HA TYR A 91 -18.386 -47.711 -11.856 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -18.120 -44.851 -12.849 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -17.374 -45.415 -11.366 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -15.516 -47.032 -11.431 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -17.292 -45.650 -15.054 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -13.629 -47.946 -12.704 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -15.395 -46.556 -16.324 1.00 43.30 H new ATOM 0 HH TYR A 91 -12.522 -47.354 -15.055 1.00 21.33 H new ATOM 1419 N GLY A 92 -21.088 -46.195 -11.492 1.00 22.12 N ATOM 1420 CA GLY A 92 -22.145 -45.951 -10.528 1.00 65.55 C ATOM 1421 C GLY A 92 -22.015 -44.614 -9.821 1.00 41.00 C ATOM 1422 O GLY A 92 -21.464 -44.533 -8.723 1.00 12.12 O ATOM 0 H GLY A 92 -21.398 -46.228 -12.463 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -23.108 -45.993 -11.037 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -22.141 -46.749 -9.785 1.00 65.55 H new ATOM 1426 N VAL A 93 -22.504 -43.563 -10.465 1.00 13.51 N ATOM 1427 CA VAL A 93 -22.562 -42.242 -9.846 1.00 13.34 C ATOM 1428 C VAL A 93 -23.789 -42.161 -8.938 1.00 30.02 C ATOM 1429 O VAL A 93 -24.827 -42.750 -9.246 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.613 -41.119 -10.916 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.733 -39.740 -10.266 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.383 -41.189 -11.824 1.00 13.21 C ATOM 0 H VAL A 93 -22.867 -43.598 -11.417 1.00 13.51 H new ATOM 0 HA VAL A 93 -21.657 -42.096 -9.256 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.502 -41.274 -11.527 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -22.766 -38.974 -11.041 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.646 -39.696 -9.672 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.872 -39.566 -9.621 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -21.435 -40.395 -12.569 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.481 -41.066 -11.225 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.356 -42.156 -12.326 1.00 13.21 H new ATOM 1442 N SER A 94 -23.671 -41.462 -7.812 1.00 15.51 N ATOM 1443 CA SER A 94 -24.771 -41.370 -6.854 1.00 63.12 C ATOM 1444 C SER A 94 -24.912 -39.952 -6.297 1.00 52.01 C ATOM 1445 O SER A 94 -25.926 -39.288 -6.517 1.00 33.01 O ATOM 1446 CB SER A 94 -24.554 -42.367 -5.706 1.00 45.35 C ATOM 1447 OG SER A 94 -24.402 -43.692 -6.193 1.00 22.42 O ATOM 0 H SER A 94 -22.830 -40.953 -7.541 1.00 15.51 H new ATOM 0 HA SER A 94 -25.694 -41.617 -7.379 1.00 63.12 H new ATOM 0 HB2 SER A 94 -23.668 -42.083 -5.138 1.00 45.35 H new ATOM 0 HB3 SER A 94 -25.400 -42.325 -5.020 1.00 45.35 H new ATOM 0 HG SER A 94 -24.264 -44.304 -5.440 1.00 22.42 H new ATOM 1453 N ALA A 95 -23.888 -39.491 -5.583 1.00 12.01 N ATOM 1454 CA ALA A 95 -23.941 -38.197 -4.905 1.00 52.44 C ATOM 1455 C ALA A 95 -23.154 -37.137 -5.669 1.00 22.24 C ATOM 1456 O ALA A 95 -22.537 -37.420 -6.698 1.00 22.21 O ATOM 1457 CB ALA A 95 -23.418 -38.327 -3.475 1.00 0.24 C ATOM 0 H ALA A 95 -23.010 -39.995 -5.458 1.00 12.01 H new ATOM 0 HA ALA A 95 -24.982 -37.876 -4.871 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -23.463 -37.356 -2.981 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -24.032 -39.042 -2.927 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -22.386 -38.676 -3.495 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.182 -35.917 -5.145 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.511 -34.777 -5.757 1.00 41.53 C ATOM 1465 C ILE A 96 -21.337 -34.301 -4.887 1.00 24.21 C ATOM 1466 O ILE A 96 -21.538 -33.879 -3.746 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.510 -33.610 -5.983 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.305 -33.324 -4.692 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -24.456 -33.936 -7.140 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.353 -32.237 -4.830 1.00 75.51 C ATOM 0 H ILE A 96 -23.673 -35.690 -4.280 1.00 40.13 H new ATOM 0 HA ILE A 96 -22.121 -35.098 -6.723 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.946 -32.714 -6.243 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -24.793 -34.244 -4.369 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -23.606 -33.041 -3.905 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -25.150 -33.109 -7.286 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -23.877 -34.090 -8.051 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -25.015 -34.842 -6.908 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -25.864 -32.101 -3.877 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -24.872 -31.303 -5.121 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -26.077 -32.525 -5.592 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.089 -34.390 -5.395 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.771 -34.971 -6.701 1.00 50.44 C ATOM 1484 C PRO A 97 -19.443 -36.463 -6.599 1.00 2.04 C ATOM 1485 O PRO A 97 -19.768 -37.116 -5.601 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.537 -34.164 -7.108 1.00 4.13 C ATOM 1487 CG PRO A 97 -17.817 -33.910 -5.820 1.00 64.14 C ATOM 1488 CD PRO A 97 -18.864 -33.913 -4.722 1.00 35.15 C ATOM 0 HA PRO A 97 -20.596 -34.920 -7.412 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.913 -34.718 -7.809 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.816 -33.231 -7.598 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -17.066 -34.679 -5.639 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -17.294 -32.954 -5.852 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -18.579 -34.570 -3.901 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -19.003 -32.917 -4.300 1.00 35.15 H new ATOM 1496 N THR A 98 -18.805 -36.995 -7.633 1.00 51.24 N ATOM 1497 CA THR A 98 -18.394 -38.391 -7.656 1.00 74.00 C ATOM 1498 C THR A 98 -16.985 -38.511 -8.245 1.00 5.01 C ATOM 1499 O THR A 98 -16.749 -38.148 -9.406 1.00 43.51 O ATOM 1500 CB THR A 98 -19.390 -39.257 -8.468 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.691 -39.216 -7.856 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.923 -40.706 -8.560 1.00 73.42 C ATOM 0 H THR A 98 -18.559 -36.474 -8.475 1.00 51.24 H new ATOM 0 HA THR A 98 -18.388 -38.761 -6.631 1.00 74.00 H new ATOM 0 HB THR A 98 -19.440 -38.846 -9.476 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.972 -38.283 -7.747 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.645 -41.285 -9.136 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.951 -40.745 -9.052 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.839 -41.125 -7.557 1.00 73.42 H new ATOM 1510 N ILE A 99 -16.057 -39.013 -7.429 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.647 -39.107 -7.806 1.00 62.41 C ATOM 1512 C ILE A 99 -14.242 -40.567 -8.013 1.00 30.42 C ATOM 1513 O ILE A 99 -14.519 -41.418 -7.167 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.731 -38.491 -6.711 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -14.137 -37.036 -6.403 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -12.260 -38.563 -7.132 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.976 -36.087 -7.573 1.00 13.43 C ATOM 0 H ILE A 99 -16.261 -39.364 -6.493 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.523 -38.551 -8.735 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.857 -39.076 -5.800 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -15.177 -37.022 -6.078 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.537 -36.672 -5.569 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.636 -38.127 -6.352 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.976 -39.604 -7.284 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -12.120 -38.009 -8.060 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -14.283 -35.085 -7.274 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.932 -36.069 -7.886 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.597 -36.424 -8.403 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.597 -40.851 -9.138 1.00 43.14 N ATOM 1530 CA LEU A 100 -13.065 -42.181 -9.424 1.00 54.31 C ATOM 1531 C LEU A 100 -11.543 -42.143 -9.300 1.00 72.51 C ATOM 1532 O LEU A 100 -10.932 -41.131 -9.633 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.456 -42.607 -10.850 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.945 -42.451 -11.211 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.200 -42.872 -12.658 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.825 -43.243 -10.244 1.00 53.13 C ATOM 0 H LEU A 100 -13.427 -40.169 -9.877 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.477 -42.899 -8.715 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -12.867 -42.024 -11.558 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.176 -43.651 -10.987 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.209 -41.398 -11.117 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.258 -42.753 -12.890 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -14.609 -42.248 -13.328 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -14.915 -43.916 -12.789 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.872 -43.117 -10.519 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.561 -44.299 -10.294 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -15.670 -42.878 -9.229 1.00 53.13 H new ATOM 1548 N MET A 101 -10.928 -43.212 -8.804 1.00 11.43 N ATOM 1549 CA MET A 101 -9.466 -43.281 -8.751 1.00 4.10 C ATOM 1550 C MET A 101 -8.938 -44.306 -9.753 1.00 43.12 C ATOM 1551 O MET A 101 -9.611 -45.294 -10.061 1.00 65.12 O ATOM 1552 CB MET A 101 -8.972 -43.621 -7.333 1.00 31.24 C ATOM 1553 CG MET A 101 -9.466 -42.659 -6.255 1.00 63.31 C ATOM 1554 SD MET A 101 -8.198 -42.270 -5.034 1.00 12.02 S ATOM 1555 CE MET A 101 -8.923 -40.833 -4.252 1.00 54.53 C ATOM 0 H MET A 101 -11.408 -44.034 -8.437 1.00 11.43 H new ATOM 0 HA MET A 101 -9.080 -42.297 -9.018 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.295 -44.631 -7.080 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.882 -43.624 -7.330 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.806 -41.737 -6.726 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.328 -43.096 -5.751 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.249 -40.459 -3.481 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.087 -40.056 -4.999 1.00 54.53 H new ATOM 0 HE3 MET A 101 -9.876 -41.107 -3.799 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.734 -44.051 -10.263 1.00 13.11 N ATOM 1566 CA PHE A 102 -7.039 -44.968 -11.167 1.00 71.35 C ATOM 1567 C PHE A 102 -5.534 -44.874 -10.929 1.00 34.00 C ATOM 1568 O PHE A 102 -5.055 -43.911 -10.326 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.352 -44.641 -12.637 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.796 -44.855 -13.023 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.678 -43.784 -13.112 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -9.272 -46.131 -13.293 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -11.000 -43.983 -13.461 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.593 -46.334 -13.643 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.459 -45.260 -13.727 1.00 3.41 C ATOM 0 H PHE A 102 -7.211 -43.199 -10.060 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.385 -45.981 -10.962 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.085 -43.602 -12.831 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.721 -45.257 -13.277 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.325 -42.784 -12.906 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.601 -46.975 -13.229 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.674 -43.142 -13.526 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.949 -47.332 -13.851 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.492 -45.418 -14.000 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.794 -45.878 -11.387 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.333 -45.864 -11.293 1.00 2.12 C ATOM 1587 C LYS A 103 -2.730 -46.852 -12.286 1.00 22.12 C ATOM 1588 O LYS A 103 -3.167 -47.999 -12.361 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.873 -46.212 -9.867 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.356 -46.181 -9.688 1.00 43.03 C ATOM 1591 CD LYS A 103 -0.914 -46.579 -8.276 1.00 41.12 C ATOM 1592 CE LYS A 103 -1.187 -45.486 -7.234 1.00 53.33 C ATOM 1593 NZ LYS A 103 -2.633 -45.343 -6.908 1.00 71.52 N1+ ATOM 0 H LYS A 103 -5.179 -46.713 -11.828 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.988 -44.859 -11.534 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -3.327 -45.511 -9.167 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.241 -47.205 -9.608 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.896 -46.855 -10.411 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -0.990 -45.179 -9.909 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -1.433 -47.492 -7.982 1.00 41.12 H new ATOM 0 HD3 LYS A 103 0.152 -46.807 -8.285 1.00 41.12 H new ATOM 0 HE2 LYS A 103 -0.635 -45.715 -6.322 1.00 53.33 H new ATOM 0 HE3 LYS A 103 -0.808 -44.534 -7.606 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 -2.743 -45.167 -5.889 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 -3.032 -44.545 -7.442 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 -3.135 -46.217 -7.165 1.00 71.52 H new ATOM 1607 N ASN A 104 -1.738 -46.392 -13.051 1.00 41.43 N ATOM 1608 CA ASN A 104 -1.043 -47.230 -14.040 1.00 72.22 C ATOM 1609 C ASN A 104 -2.035 -47.791 -15.062 1.00 0.14 C ATOM 1610 O ASN A 104 -1.804 -48.842 -15.665 1.00 72.20 O ATOM 1611 CB ASN A 104 -0.270 -48.376 -13.354 1.00 20.21 C ATOM 1612 CG ASN A 104 0.912 -47.893 -12.521 1.00 24.30 C ATOM 1613 OD1 ASN A 104 0.894 -46.794 -11.962 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.950 -48.716 -12.432 1.00 31.24 N ATOM 0 H ASN A 104 -1.392 -45.433 -13.006 1.00 41.43 H new ATOM 0 HA ASN A 104 -0.322 -46.602 -14.563 1.00 72.22 H new ATOM 0 HB2 ASN A 104 -0.953 -48.933 -12.713 1.00 20.21 H new ATOM 0 HB3 ASN A 104 0.090 -49.069 -14.115 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.769 -48.447 -11.887 1.00 31.24 H new ATOM 0 HD22 ASN A 104 1.928 -49.618 -12.909 1.00 31.24 H new ATOM 1621 N GLY A 105 -3.131 -47.062 -15.268 1.00 32.31 N ATOM 1622 CA GLY A 105 -4.180 -47.512 -16.170 1.00 42.31 C ATOM 1623 C GLY A 105 -4.947 -48.696 -15.614 1.00 34.43 C ATOM 1624 O GLY A 105 -5.474 -49.514 -16.369 1.00 43.11 O ATOM 0 H GLY A 105 -3.312 -46.162 -14.823 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -4.871 -46.690 -16.359 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -3.739 -47.785 -17.129 1.00 42.31 H new ATOM 1628 N LYS A 106 -5.001 -48.789 -14.291 1.00 12.22 N ATOM 1629 CA LYS A 106 -5.678 -49.886 -13.607 1.00 63.04 C ATOM 1630 C LYS A 106 -6.681 -49.319 -12.602 1.00 35.11 C ATOM 1631 O LYS A 106 -6.472 -48.220 -12.071 1.00 44.30 O ATOM 1632 CB LYS A 106 -4.626 -50.772 -12.922 1.00 13.01 C ATOM 1633 CG LYS A 106 -5.183 -51.981 -12.179 1.00 24.15 C ATOM 1634 CD LYS A 106 -4.068 -52.952 -11.796 1.00 53.23 C ATOM 1635 CE LYS A 106 -2.979 -52.274 -10.968 1.00 13.04 C ATOM 1636 NZ LYS A 106 -1.761 -53.118 -10.848 1.00 41.10 N1+ ATOM 0 H LYS A 106 -4.577 -48.107 -13.662 1.00 12.22 H new ATOM 0 HA LYS A 106 -6.231 -50.499 -14.319 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -3.921 -51.122 -13.676 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -4.062 -50.161 -12.218 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -5.706 -51.651 -11.282 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -5.915 -52.491 -12.805 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -4.489 -53.783 -11.230 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -3.627 -53.373 -12.700 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -2.716 -51.321 -11.427 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -3.366 -52.052 -9.973 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -1.048 -52.619 -10.278 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -2.006 -54.017 -10.387 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -1.376 -53.309 -11.795 1.00 41.10 H new ATOM 1650 N LYS A 107 -7.772 -50.052 -12.359 1.00 44.23 N ATOM 1651 CA LYS A 107 -8.877 -49.542 -11.554 1.00 71.41 C ATOM 1652 C LYS A 107 -8.500 -49.381 -10.080 1.00 52.45 C ATOM 1653 O LYS A 107 -7.770 -50.191 -9.505 1.00 11.33 O ATOM 1654 CB LYS A 107 -10.131 -50.421 -11.702 1.00 63.10 C ATOM 1655 CG LYS A 107 -11.303 -49.951 -10.833 1.00 42.24 C ATOM 1656 CD LYS A 107 -12.659 -50.257 -11.459 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.886 -51.748 -11.670 1.00 14.53 C ATOM 1658 NZ LYS A 107 -14.209 -52.016 -12.297 1.00 70.01 N1+ ATOM 0 H LYS A 107 -7.910 -51.000 -12.710 1.00 44.23 H new ATOM 0 HA LYS A 107 -9.107 -48.548 -11.938 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -10.441 -50.427 -12.747 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -9.880 -51.448 -11.438 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -11.241 -50.431 -9.856 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -11.218 -48.877 -10.666 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -13.448 -49.861 -10.819 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -12.737 -49.743 -12.417 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -12.095 -52.152 -12.302 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -12.825 -52.265 -10.713 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -14.331 -53.041 -12.426 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -14.965 -51.652 -11.682 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -14.257 -51.542 -13.222 1.00 70.01 H new ATOM 1672 N LEU A 108 -9.055 -48.328 -9.497 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.754 -47.852 -8.153 1.00 60.42 C ATOM 1674 C LEU A 108 -10.040 -47.307 -7.536 1.00 41.03 C ATOM 1675 O LEU A 108 -11.048 -47.164 -8.231 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.619 -46.807 -8.128 1.00 52.31 C ATOM 1677 CG LEU A 108 -6.225 -47.333 -7.725 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.307 -48.136 -6.427 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -5.596 -48.168 -8.838 1.00 11.12 C ATOM 0 H LEU A 108 -9.757 -47.757 -9.967 1.00 60.01 H new ATOM 0 HA LEU A 108 -8.384 -48.688 -7.560 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -7.544 -46.358 -9.118 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.899 -46.012 -7.437 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.581 -46.469 -7.559 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.314 -48.498 -6.160 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -6.688 -47.499 -5.629 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.977 -48.984 -6.566 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -4.616 -48.521 -8.518 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -6.236 -49.023 -9.057 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -5.487 -47.557 -9.734 1.00 11.12 H new ATOM 1691 N SER A 109 -10.015 -47.029 -6.239 1.00 60.43 N ATOM 1692 CA SER A 109 -11.232 -46.871 -5.447 1.00 11.20 C ATOM 1693 C SER A 109 -12.006 -45.598 -5.808 1.00 20.34 C ATOM 1694 O SER A 109 -11.573 -44.786 -6.626 1.00 72.41 O ATOM 1695 CB SER A 109 -10.829 -46.809 -3.959 1.00 32.42 C ATOM 1696 OG SER A 109 -11.181 -48.000 -3.275 1.00 42.25 O ATOM 0 H SER A 109 -9.154 -46.907 -5.706 1.00 60.43 H new ATOM 0 HA SER A 109 -11.887 -47.718 -5.654 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.754 -46.646 -3.879 1.00 32.42 H new ATOM 0 HB3 SER A 109 -11.317 -45.958 -3.484 1.00 32.42 H new ATOM 0 HG SER A 109 -10.911 -47.930 -2.336 1.00 42.25 H new ATOM 1702 N GLN A 110 -13.187 -45.470 -5.212 1.00 61.23 N ATOM 1703 CA GLN A 110 -14.127 -44.410 -5.554 1.00 74.54 C ATOM 1704 C GLN A 110 -14.564 -43.663 -4.319 1.00 60.21 C ATOM 1705 O GLN A 110 -14.591 -44.210 -3.208 1.00 10.33 O ATOM 1706 CB GLN A 110 -15.343 -45.013 -6.286 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.414 -44.002 -6.701 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.666 -44.669 -7.257 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -18.008 -45.786 -6.870 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -18.362 -43.995 -8.160 1.00 4.42 N ATOM 0 H GLN A 110 -13.519 -46.098 -4.479 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.632 -43.699 -6.215 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.991 -45.533 -7.177 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.802 -45.762 -5.641 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.684 -43.391 -5.840 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -16.001 -43.329 -7.453 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -18.050 -43.071 -8.459 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -19.210 -44.400 -8.557 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.880 -42.398 -4.527 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.275 -41.511 -3.463 1.00 60.35 C ATOM 1721 C VAL A 111 -16.598 -40.842 -3.825 1.00 22.32 C ATOM 1722 O VAL A 111 -16.662 -40.048 -4.767 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.195 -40.427 -3.212 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -14.341 -39.873 -1.815 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -12.781 -40.968 -3.428 1.00 44.03 C ATOM 0 H VAL A 111 -14.868 -41.960 -5.448 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.391 -42.096 -2.551 1.00 60.35 H new ATOM 0 HB VAL A 111 -14.348 -39.628 -3.937 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -13.580 -39.112 -1.644 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -15.330 -39.429 -1.701 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -14.219 -40.678 -1.090 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -12.056 -40.176 -3.242 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -12.599 -41.795 -2.742 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -12.679 -41.319 -4.455 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.654 -41.190 -3.102 1.00 51.33 N ATOM 1736 CA ILE A 112 -18.983 -40.648 -3.364 1.00 62.14 C ATOM 1737 C ILE A 112 -19.441 -39.785 -2.190 1.00 15.21 C ATOM 1738 O ILE A 112 -19.512 -40.260 -1.053 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.014 -41.779 -3.610 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.570 -42.664 -4.789 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.403 -41.198 -3.865 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -20.522 -43.806 -5.096 1.00 61.34 C ATOM 0 H ILE A 112 -17.616 -41.849 -2.325 1.00 51.33 H new ATOM 0 HA ILE A 112 -18.921 -40.037 -4.264 1.00 62.14 H new ATOM 0 HB ILE A 112 -20.065 -42.398 -2.714 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -19.466 -42.042 -5.678 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -18.584 -43.075 -4.571 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.111 -42.009 -4.035 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.719 -40.616 -2.999 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.372 -40.553 -4.743 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -20.139 -44.382 -5.938 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.608 -44.453 -4.223 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -21.503 -43.404 -5.348 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.740 -38.522 -2.473 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.175 -37.592 -1.441 1.00 14.45 C ATOM 1756 C GLY A 113 -19.159 -36.490 -1.213 1.00 3.03 C ATOM 1757 O GLY A 113 -17.953 -36.718 -1.320 1.00 60.32 O ATOM 0 H GLY A 113 -19.689 -38.120 -3.409 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.130 -37.152 -1.727 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.339 -38.133 -0.509 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.642 -35.289 -0.909 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.767 -34.150 -0.678 1.00 24.52 C ATOM 1763 C ALA A 114 -18.185 -34.187 0.735 1.00 0.33 C ATOM 1764 O ALA A 114 -18.580 -33.410 1.608 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.526 -32.849 -0.927 1.00 15.11 C ATOM 0 H ALA A 114 -20.637 -35.082 -0.817 1.00 12.52 H new ATOM 0 HA ALA A 114 -17.933 -34.202 -1.378 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.863 -32.002 -0.752 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -19.880 -32.826 -1.958 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.378 -32.789 -0.250 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.259 -35.117 0.954 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.538 -35.212 2.220 1.00 1.22 C ATOM 1773 C ASP A 115 -15.042 -35.187 1.942 1.00 22.24 C ATOM 1774 O ASP A 115 -14.423 -36.217 1.652 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.929 -36.481 2.995 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.420 -36.461 4.432 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.231 -36.775 4.656 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -17.208 -36.128 5.346 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.989 -35.820 0.266 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.807 -34.360 2.845 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -18.014 -36.583 2.998 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.528 -37.355 2.482 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.474 -33.989 1.998 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.085 -33.769 1.618 1.00 23.23 C ATOM 1785 C ILE A 116 -12.128 -34.580 2.495 1.00 50.32 C ATOM 1786 O ILE A 116 -11.022 -34.916 2.073 1.00 24.53 O ATOM 1787 CB ILE A 116 -12.723 -32.263 1.683 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.323 -32.008 1.098 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -12.827 -31.731 3.109 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.208 -32.346 -0.374 1.00 62.15 C ATOM 0 H ILE A 116 -14.960 -33.147 2.306 1.00 10.14 H new ATOM 0 HA ILE A 116 -12.974 -34.110 0.589 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.446 -31.720 1.074 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.064 -30.959 1.242 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.593 -32.596 1.655 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -12.567 -30.673 3.122 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -13.847 -31.859 3.472 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.141 -32.281 3.753 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.194 -32.141 -0.716 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.435 -33.402 -0.524 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -11.913 -31.739 -0.943 1.00 62.15 H new ATOM 1802 N SER A 117 -12.565 -34.912 3.708 1.00 64.32 N ATOM 1803 CA SER A 117 -11.750 -35.708 4.618 1.00 24.52 C ATOM 1804 C SER A 117 -11.604 -37.125 4.058 1.00 72.20 C ATOM 1805 O SER A 117 -10.501 -37.683 4.002 1.00 63.13 O ATOM 1806 CB SER A 117 -12.382 -35.734 6.020 1.00 2.24 C ATOM 1807 OG SER A 117 -11.504 -36.311 6.975 1.00 54.32 O ATOM 0 H SER A 117 -13.475 -34.643 4.081 1.00 64.32 H new ATOM 0 HA SER A 117 -10.761 -35.259 4.707 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.636 -34.719 6.325 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.313 -36.301 5.990 1.00 2.24 H new ATOM 0 HG SER A 117 -11.933 -36.312 7.856 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.726 -37.688 3.618 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.742 -38.997 2.979 1.00 23.25 C ATOM 1815 C LYS A 118 -11.900 -38.960 1.707 1.00 51.14 C ATOM 1816 O LYS A 118 -11.079 -39.846 1.473 1.00 44.54 O ATOM 1817 CB LYS A 118 -14.190 -39.411 2.660 1.00 55.14 C ATOM 1818 CG LYS A 118 -14.329 -40.720 1.878 1.00 21.34 C ATOM 1819 CD LYS A 118 -13.677 -41.902 2.597 1.00 32.24 C ATOM 1820 CE LYS A 118 -13.908 -43.211 1.848 1.00 45.55 C ATOM 1821 NZ LYS A 118 -13.159 -44.344 2.457 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.644 -37.251 3.695 1.00 24.02 H new ATOM 0 HA LYS A 118 -12.316 -39.735 3.659 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.740 -39.504 3.596 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.664 -38.612 2.090 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -15.386 -40.934 1.718 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.875 -40.602 0.894 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -12.606 -41.723 2.696 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -14.081 -41.983 3.606 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -14.973 -43.442 1.843 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -13.603 -43.092 0.808 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -13.423 -45.230 1.981 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -12.137 -44.183 2.348 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -13.393 -44.411 3.468 1.00 20.35 H new ATOM 1835 N ILE A 119 -12.096 -37.913 0.905 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.359 -37.747 -0.347 1.00 2.21 C ATOM 1837 C ILE A 119 -9.843 -37.750 -0.106 1.00 62.22 C ATOM 1838 O ILE A 119 -9.117 -38.559 -0.687 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.754 -36.434 -1.073 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.266 -36.416 -1.373 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.948 -36.274 -2.361 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.758 -35.136 -2.017 1.00 40.14 C ATOM 0 H ILE A 119 -12.761 -37.165 1.102 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.624 -38.594 -0.979 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.525 -35.594 -0.417 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.505 -37.254 -2.028 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.811 -36.574 -0.442 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.237 -35.348 -2.858 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.885 -36.242 -2.123 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -11.146 -37.118 -3.022 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.831 -35.207 -2.194 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.554 -34.294 -1.355 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.243 -34.985 -2.966 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.376 -36.849 0.761 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.945 -36.712 1.039 1.00 1.52 C ATOM 1856 C ILE A 120 -7.395 -38.008 1.640 1.00 44.53 C ATOM 1857 O ILE A 120 -6.272 -38.426 1.324 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.658 -35.487 1.969 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.159 -35.097 1.973 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.149 -35.742 3.393 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.266 -35.959 2.850 1.00 43.13 C ATOM 0 H ILE A 120 -9.968 -36.203 1.283 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.431 -36.526 0.096 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.216 -34.645 1.559 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.786 -35.141 0.950 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -6.071 -34.061 2.300 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -7.934 -34.872 4.013 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.224 -35.922 3.380 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.640 -36.614 3.803 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.238 -35.604 2.783 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.604 -35.898 3.885 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.315 -36.994 2.513 1.00 43.13 H new ATOM 1873 N SER A 121 -8.200 -38.652 2.485 1.00 33.33 N ATOM 1874 CA SER A 121 -7.827 -39.928 3.075 1.00 32.12 C ATOM 1875 C SER A 121 -7.515 -40.940 1.972 1.00 12.31 C ATOM 1876 O SER A 121 -6.440 -41.558 1.965 1.00 23.30 O ATOM 1877 CB SER A 121 -8.950 -40.445 3.985 1.00 43.12 C ATOM 1878 OG SER A 121 -8.588 -41.665 4.614 1.00 42.33 O ATOM 0 H SER A 121 -9.115 -38.306 2.774 1.00 33.33 H new ATOM 0 HA SER A 121 -6.934 -39.790 3.684 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.179 -39.697 4.744 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.857 -40.592 3.398 1.00 43.12 H new ATOM 0 HG SER A 121 -9.322 -41.968 5.188 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.443 -41.078 1.024 1.00 14.44 N ATOM 1885 CA GLU A 122 -8.257 -41.981 -0.103 1.00 72.13 C ATOM 1886 C GLU A 122 -7.003 -41.598 -0.881 1.00 73.04 C ATOM 1887 O GLU A 122 -6.201 -42.458 -1.233 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.472 -41.965 -1.043 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.788 -42.371 -0.384 1.00 71.24 C ATOM 1890 CD GLU A 122 -10.717 -43.712 0.326 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -10.826 -44.755 -0.349 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -10.584 -43.727 1.571 1.00 70.43 O1- ATOM 0 H GLU A 122 -9.330 -40.574 1.018 1.00 14.44 H new ATOM 0 HA GLU A 122 -8.147 -42.990 0.295 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.582 -40.963 -1.457 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -9.277 -42.636 -1.880 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -11.079 -41.603 0.333 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.569 -42.411 -1.143 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.827 -40.299 -1.123 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.682 -39.812 -1.892 1.00 32.41 C ATOM 1901 C ILE A 123 -4.366 -40.311 -1.292 1.00 5.24 C ATOM 1902 O ILE A 123 -3.588 -40.992 -1.966 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.657 -38.257 -1.965 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.840 -37.731 -2.796 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.334 -37.756 -2.551 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -7.054 -36.238 -2.680 1.00 15.35 C ATOM 0 H ILE A 123 -7.460 -39.568 -0.799 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.790 -40.206 -2.902 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.749 -37.874 -0.948 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.677 -37.985 -3.843 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.749 -38.244 -2.482 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.343 -36.667 -2.591 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.508 -38.089 -1.922 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -4.208 -38.155 -3.558 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.905 -35.944 -3.294 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.250 -35.978 -1.640 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -6.161 -35.715 -3.023 1.00 15.35 H new ATOM 1918 N ASN A 124 -4.140 -40.025 -0.012 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.867 -40.378 0.613 1.00 42.31 C ATOM 1920 C ASN A 124 -2.735 -41.894 0.742 1.00 20.40 C ATOM 1921 O ASN A 124 -1.635 -42.437 0.638 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.691 -39.702 1.984 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.584 -40.284 3.066 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -4.716 -39.649 3.316 1.00 31.24 O flip ATOM 1925 ND2 ASN A 124 -3.241 -41.289 3.690 1.00 15.41 N flip ATOM 0 H ASN A 124 -4.807 -39.559 0.603 1.00 61.24 H new ATOM 0 HA ASN A 124 -2.073 -40.009 -0.036 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.650 -39.794 2.295 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.901 -38.637 1.885 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -2.359 -41.751 3.468 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -3.839 -41.659 4.429 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.868 -42.571 0.954 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.889 -44.035 1.042 1.00 72.20 C ATOM 1934 C ASN A 125 -3.578 -44.668 -0.319 1.00 71.23 C ATOM 1935 O ASN A 125 -2.981 -45.743 -0.396 1.00 34.51 O ATOM 1936 CB ASN A 125 -5.256 -44.524 1.552 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.349 -46.044 1.662 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.358 -46.728 1.919 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -6.549 -46.582 1.488 1.00 44.23 N ATOM 0 H ASN A 125 -4.781 -42.130 1.068 1.00 31.14 H new ATOM 0 HA ASN A 125 -3.119 -44.342 1.750 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.451 -44.083 2.530 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -6.036 -44.167 0.880 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -6.671 -47.592 1.566 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -7.349 -45.986 1.276 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.979 -43.990 -1.391 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.787 -44.505 -2.748 1.00 34.20 C ATOM 1948 C ASN A 126 -2.456 -44.040 -3.343 1.00 61.32 C ATOM 1949 O ASN A 126 -2.025 -44.556 -4.377 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.962 -44.109 -3.659 1.00 71.20 C ATOM 1951 CG ASN A 126 -6.165 -45.032 -3.504 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -6.294 -46.024 -4.220 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -7.048 -44.721 -2.571 1.00 41.12 N ATOM 0 H ASN A 126 -4.440 -43.081 -1.348 1.00 24.21 H new ATOM 0 HA ASN A 126 -3.757 -45.593 -2.684 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -5.263 -43.086 -3.433 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -4.631 -44.122 -4.698 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.867 -45.311 -2.427 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.910 -43.891 -1.995 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.823 -43.046 -2.716 1.00 24.11 N ATOM 1961 CA ILE A 127 -0.443 -42.692 -3.060 1.00 45.52 C ATOM 1962 C ILE A 127 0.521 -43.643 -2.351 1.00 24.03 C ATOM 1963 O ILE A 127 1.282 -44.371 -2.992 1.00 24.55 O ATOM 1964 CB ILE A 127 -0.079 -41.231 -2.671 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.995 -40.227 -3.385 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.387 -40.938 -3.001 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.755 -38.791 -2.967 1.00 54.51 C ATOM 0 H ILE A 127 -2.237 -42.478 -1.977 1.00 24.11 H new ATOM 0 HA ILE A 127 -0.355 -42.779 -4.143 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.225 -41.122 -1.596 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.848 -40.314 -4.461 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -2.034 -40.487 -3.184 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.625 -39.911 -2.722 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.029 -41.622 -2.446 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.553 -41.071 -4.070 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.436 -38.135 -3.510 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.931 -38.690 -1.896 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.274 -38.513 -3.194 1.00 54.51 H new ATOM 1979 N ASN A 128 0.464 -43.632 -1.020 1.00 64.33 N ATOM 1980 CA ASN A 128 1.319 -44.465 -0.187 1.00 71.43 C ATOM 1981 C ASN A 128 0.772 -44.547 1.245 1.00 23.15 C ATOM 1982 O ASN A 128 0.021 -45.499 1.541 1.00 65.33 O ATOM 1983 CB ASN A 128 2.781 -43.961 -0.208 1.00 24.12 C ATOM 1984 CG ASN A 128 2.949 -42.440 -0.156 1.00 23.51 C ATOM 1985 OD1 ASN A 128 3.925 -41.904 -0.692 1.00 5.34 O ATOM 1986 ND2 ASN A 128 2.025 -41.728 0.472 1.00 22.35 N ATOM 1987 OXT ASN A 128 1.084 -43.663 2.071 1.00 0.00 O1- ATOM 0 H ASN A 128 -0.179 -43.043 -0.491 1.00 64.33 H new ATOM 0 HA ASN A 128 1.317 -45.473 -0.601 1.00 71.43 H new ATOM 0 HB2 ASN A 128 3.311 -44.398 0.639 1.00 24.12 H new ATOM 0 HB3 ASN A 128 3.263 -44.333 -1.112 1.00 24.12 H new ATOM 0 HD21 ASN A 128 2.110 -40.713 0.521 1.00 22.35 H new ATOM 0 HD22 ASN A 128 1.229 -42.195 0.906 1.00 22.35 H new