USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 144:sc= 0.0624 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.341 (180deg=-1.52) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.89! C(o=-1.9!,f=-7.8!) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.627 (180deg=-1.35) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.329 F(o=-0.83,f=-0.33) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 28 MET CE :methyl 147:sc= -0.35 (180deg=-1.39) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.633 X(o=-0.63,f=-0.9) USER MOD Single : A 59 CYS SG : rot -30:sc= -1.66 USER MOD Single : A 64 TYR OH : rot 76:sc= 0.0569 USER MOD Single : A 66 ASN : amide:sc= -0.0509 K(o=-0.051,f=-2.5) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.58) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00491 (180deg=-0.191) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.911 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.162 -48.178 0.973 1.00 0.00 N ATOM 2 CA MET A 1 16.691 -49.419 1.652 1.00 0.00 C ATOM 3 C MET A 1 17.388 -50.633 1.034 1.00 0.00 C ATOM 4 O MET A 1 17.403 -50.805 -0.169 1.00 0.00 O ATOM 5 CB MET A 1 15.176 -49.553 1.479 1.00 0.00 C ATOM 6 CG MET A 1 14.855 -49.921 0.029 1.00 0.00 C ATOM 7 SD MET A 1 13.062 -49.896 -0.216 1.00 0.00 S ATOM 8 CE MET A 1 13.022 -50.903 -1.719 1.00 0.00 C ATOM 0 H1 MET A 1 16.411 -47.460 1.002 1.00 0.00 H new ATOM 0 H2 MET A 1 18.007 -47.815 1.459 1.00 0.00 H new ATOM 0 H3 MET A 1 17.398 -48.392 -0.017 1.00 0.00 H new ATOM 0 HA MET A 1 16.930 -49.366 2.714 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.789 -50.317 2.153 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.685 -48.616 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.336 -49.218 -0.651 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.251 -50.910 -0.203 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.991 -51.018 -2.052 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.604 -50.414 -2.500 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.448 -51.885 -1.511 1.00 0.00 H new ATOM 20 N THR A 2 17.965 -51.476 1.845 1.00 0.00 N ATOM 21 CA THR A 2 18.661 -52.675 1.301 1.00 0.00 C ATOM 22 C THR A 2 19.671 -52.237 0.238 1.00 0.00 C ATOM 23 O THR A 2 19.794 -52.848 -0.805 1.00 0.00 O ATOM 24 CB THR A 2 17.635 -53.622 0.673 1.00 0.00 C ATOM 25 OG1 THR A 2 16.527 -53.764 1.551 1.00 0.00 O ATOM 26 CG2 THR A 2 18.277 -54.988 0.434 1.00 0.00 C ATOM 0 H THR A 2 17.984 -51.386 2.861 1.00 0.00 H new ATOM 0 HA THR A 2 19.182 -53.191 2.108 1.00 0.00 H new ATOM 0 HB THR A 2 17.296 -53.212 -0.279 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.868 -54.368 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.545 -55.661 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.127 -54.878 -0.239 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.617 -55.401 1.384 1.00 0.00 H new ATOM 34 N VAL A 3 20.394 -51.181 0.494 1.00 0.00 N ATOM 35 CA VAL A 3 21.396 -50.702 -0.499 1.00 0.00 C ATOM 36 C VAL A 3 22.759 -51.324 -0.191 1.00 0.00 C ATOM 37 O VAL A 3 23.449 -50.912 0.719 1.00 0.00 O ATOM 38 CB VAL A 3 21.501 -49.177 -0.420 1.00 0.00 C ATOM 39 CG1 VAL A 3 22.453 -48.673 -1.507 1.00 0.00 C ATOM 40 CG2 VAL A 3 20.116 -48.562 -0.630 1.00 0.00 C ATOM 0 H VAL A 3 20.334 -50.629 1.349 1.00 0.00 H new ATOM 0 HA VAL A 3 21.083 -50.994 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 3 21.884 -48.889 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 3 22.528 -47.587 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 3 23.439 -49.113 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 3 22.071 -48.960 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.188 -47.476 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.734 -48.851 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.437 -48.921 0.144 1.00 0.00 H new ATOM 50 N ILE A 4 23.152 -52.315 -0.943 1.00 0.00 N ATOM 51 CA ILE A 4 24.470 -52.962 -0.693 1.00 0.00 C ATOM 52 C ILE A 4 25.511 -52.391 -1.658 1.00 0.00 C ATOM 53 O ILE A 4 26.383 -51.638 -1.272 1.00 0.00 O ATOM 54 CB ILE A 4 24.342 -54.471 -0.912 1.00 0.00 C ATOM 55 CG1 ILE A 4 23.403 -55.060 0.143 1.00 0.00 C ATOM 56 CG2 ILE A 4 25.719 -55.125 -0.787 1.00 0.00 C ATOM 57 CD1 ILE A 4 22.492 -56.103 -0.510 1.00 0.00 C ATOM 0 H ILE A 4 22.617 -52.704 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 4 24.784 -52.768 0.333 1.00 0.00 H new ATOM 0 HB ILE A 4 23.939 -54.660 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 4 23.982 -55.518 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.804 -54.269 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 4 25.627 -56.200 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 4 26.390 -54.706 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 4 26.123 -54.936 0.208 1.00 0.00 H new ATOM 0 HD11 ILE A 4 21.823 -56.523 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 4 21.904 -55.631 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 4 23.100 -56.899 -0.940 1.00 0.00 H new ATOM 69 N LYS A 5 25.427 -52.741 -2.912 1.00 0.00 N ATOM 70 CA LYS A 5 26.411 -52.216 -3.901 1.00 0.00 C ATOM 71 C LYS A 5 25.814 -52.306 -5.309 1.00 0.00 C ATOM 72 O LYS A 5 26.151 -53.192 -6.068 1.00 0.00 O ATOM 73 CB LYS A 5 27.694 -53.049 -3.839 1.00 0.00 C ATOM 74 CG LYS A 5 28.749 -52.435 -4.762 1.00 0.00 C ATOM 75 CD LYS A 5 30.133 -52.593 -4.130 1.00 0.00 C ATOM 76 CE LYS A 5 30.978 -51.354 -4.435 1.00 0.00 C ATOM 77 NZ LYS A 5 31.603 -50.858 -3.177 1.00 0.00 N ATOM 0 H LYS A 5 24.719 -53.368 -3.295 1.00 0.00 H new ATOM 0 HA LYS A 5 26.641 -51.177 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 5 28.068 -53.084 -2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 5 27.488 -54.076 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 5 28.724 -52.924 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 5 28.532 -51.380 -4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 5 30.039 -52.726 -3.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 30.623 -53.485 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.749 -51.597 -5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 5 30.355 -50.576 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 32.177 -50.016 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 30.859 -50.611 -2.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 32.210 -51.601 -2.774 1.00 0.00 H new ATOM 91 N PRO A 6 24.938 -51.381 -5.611 1.00 0.00 N ATOM 92 CA PRO A 6 24.265 -51.321 -6.920 1.00 0.00 C ATOM 93 C PRO A 6 25.200 -50.729 -7.978 1.00 0.00 C ATOM 94 O PRO A 6 26.402 -50.682 -7.805 1.00 0.00 O ATOM 95 CB PRO A 6 23.072 -50.396 -6.668 1.00 0.00 C ATOM 96 CG PRO A 6 23.435 -49.543 -5.429 1.00 0.00 C ATOM 97 CD PRO A 6 24.539 -50.311 -4.675 1.00 0.00 C ATOM 0 HA PRO A 6 23.968 -52.301 -7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 6 22.882 -49.762 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 6 22.164 -50.973 -6.490 1.00 0.00 H new ATOM 0 HG2 PRO A 6 23.785 -48.555 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 6 22.563 -49.393 -4.792 1.00 0.00 H new ATOM 0 HD2 PRO A 6 25.380 -49.662 -4.430 1.00 0.00 H new ATOM 0 HD3 PRO A 6 24.169 -50.721 -3.735 1.00 0.00 H new ATOM 105 N SER A 7 24.657 -50.277 -9.075 1.00 0.00 N ATOM 106 CA SER A 7 25.510 -49.689 -10.145 1.00 0.00 C ATOM 107 C SER A 7 24.947 -48.324 -10.547 1.00 0.00 C ATOM 108 O SER A 7 25.183 -47.840 -11.636 1.00 0.00 O ATOM 109 CB SER A 7 25.514 -50.616 -11.359 1.00 0.00 C ATOM 110 OG SER A 7 24.173 -50.927 -11.717 1.00 0.00 O ATOM 0 H SER A 7 23.657 -50.290 -9.276 1.00 0.00 H new ATOM 0 HA SER A 7 26.529 -49.570 -9.777 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.024 -50.137 -12.195 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.063 -51.530 -11.132 1.00 0.00 H new ATOM 0 HG SER A 7 24.172 -51.520 -12.497 1.00 0.00 H new ATOM 116 N SER A 8 24.202 -47.702 -9.675 1.00 0.00 N ATOM 117 CA SER A 8 23.620 -46.370 -10.004 1.00 0.00 C ATOM 118 C SER A 8 24.542 -45.264 -9.486 1.00 0.00 C ATOM 119 O SER A 8 25.325 -45.468 -8.578 1.00 0.00 O ATOM 120 CB SER A 8 22.249 -46.238 -9.341 1.00 0.00 C ATOM 121 OG SER A 8 22.322 -46.728 -8.009 1.00 0.00 O ATOM 0 H SER A 8 23.971 -48.059 -8.748 1.00 0.00 H new ATOM 0 HA SER A 8 23.515 -46.278 -11.085 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.932 -45.195 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.504 -46.798 -9.906 1.00 0.00 H new ATOM 0 HG SER A 8 21.445 -46.643 -7.581 1.00 0.00 H new ATOM 127 N ARG A 9 24.454 -44.094 -10.055 1.00 0.00 N ATOM 128 CA ARG A 9 25.323 -42.974 -9.595 1.00 0.00 C ATOM 129 C ARG A 9 24.636 -41.640 -9.903 1.00 0.00 C ATOM 130 O ARG A 9 23.854 -41.547 -10.828 1.00 0.00 O ATOM 131 CB ARG A 9 26.668 -43.041 -10.320 1.00 0.00 C ATOM 132 CG ARG A 9 27.600 -43.998 -9.574 1.00 0.00 C ATOM 133 CD ARG A 9 28.987 -43.970 -10.218 1.00 0.00 C ATOM 134 NE ARG A 9 29.923 -44.808 -9.414 1.00 0.00 N ATOM 135 CZ ARG A 9 31.096 -45.120 -9.893 1.00 0.00 C ATOM 136 NH1 ARG A 9 32.056 -44.236 -9.894 1.00 0.00 N ATOM 137 NH2 ARG A 9 31.309 -46.316 -10.370 1.00 0.00 N ATOM 0 H ARG A 9 23.818 -43.865 -10.819 1.00 0.00 H new ATOM 0 HA ARG A 9 25.489 -43.057 -8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 9 26.524 -43.381 -11.346 1.00 0.00 H new ATOM 0 HB3 ARG A 9 27.115 -42.048 -10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 9 27.669 -43.710 -8.525 1.00 0.00 H new ATOM 0 HG3 ARG A 9 27.196 -45.010 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 9 28.933 -44.344 -11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 9 29.354 -42.945 -10.273 1.00 0.00 H new ATOM 0 HE ARG A 9 29.646 -45.137 -8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 9 31.889 -43.302 -9.520 1.00 0.00 H new ATOM 0 HH12 ARG A 9 32.973 -44.479 -10.268 1.00 0.00 H new ATOM 0 HH21 ARG A 9 30.559 -47.007 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 9 32.226 -46.560 -10.744 1.00 0.00 H new ATOM 151 N PRO A 10 24.949 -40.646 -9.112 1.00 0.00 N ATOM 152 CA PRO A 10 24.375 -39.297 -9.265 1.00 0.00 C ATOM 153 C PRO A 10 25.052 -38.549 -10.418 1.00 0.00 C ATOM 154 O PRO A 10 24.488 -37.643 -10.998 1.00 0.00 O ATOM 155 CB PRO A 10 24.677 -38.624 -7.923 1.00 0.00 C ATOM 156 CG PRO A 10 25.869 -39.396 -7.307 1.00 0.00 C ATOM 157 CD PRO A 10 25.904 -40.774 -7.991 1.00 0.00 C ATOM 0 HA PRO A 10 23.311 -39.310 -9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 10 24.926 -37.572 -8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 10 23.808 -38.661 -7.265 1.00 0.00 H new ATOM 0 HG2 PRO A 10 26.804 -38.859 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 10 25.746 -39.502 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.905 -41.017 -8.347 1.00 0.00 H new ATOM 0 HD3 PRO A 10 25.608 -41.567 -7.304 1.00 0.00 H new ATOM 165 N ARG A 11 26.257 -38.918 -10.754 1.00 0.00 N ATOM 166 CA ARG A 11 26.964 -38.223 -11.868 1.00 0.00 C ATOM 167 C ARG A 11 27.272 -39.224 -12.986 1.00 0.00 C ATOM 168 O ARG A 11 28.364 -39.749 -13.063 1.00 0.00 O ATOM 169 CB ARG A 11 28.271 -37.613 -11.352 1.00 0.00 C ATOM 170 CG ARG A 11 28.800 -38.443 -10.178 1.00 0.00 C ATOM 171 CD ARG A 11 30.188 -37.937 -9.780 1.00 0.00 C ATOM 172 NE ARG A 11 30.052 -36.890 -8.729 1.00 0.00 N ATOM 173 CZ ARG A 11 29.539 -35.727 -9.027 1.00 0.00 C ATOM 174 NH1 ARG A 11 30.298 -34.785 -9.517 1.00 0.00 N ATOM 175 NH2 ARG A 11 28.267 -35.507 -8.834 1.00 0.00 N ATOM 0 H ARG A 11 26.783 -39.669 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 11 26.326 -37.430 -12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 11 29.011 -37.584 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 11 28.103 -36.584 -11.036 1.00 0.00 H new ATOM 0 HG2 ARG A 11 28.118 -38.370 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 11 28.851 -39.496 -10.457 1.00 0.00 H new ATOM 0 HD2 ARG A 11 30.795 -38.763 -9.409 1.00 0.00 H new ATOM 0 HD3 ARG A 11 30.702 -37.529 -10.651 1.00 0.00 H new ATOM 0 HE ARG A 11 30.360 -37.082 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG A 11 31.292 -34.957 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 11 29.897 -33.876 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 11 27.674 -36.243 -8.451 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.866 -34.599 -9.067 1.00 0.00 H new ATOM 189 N PRO A 12 26.291 -39.457 -13.822 1.00 0.00 N ATOM 190 CA PRO A 12 26.415 -40.390 -14.954 1.00 0.00 C ATOM 191 C PRO A 12 27.182 -39.731 -16.105 1.00 0.00 C ATOM 192 O PRO A 12 27.906 -40.380 -16.833 1.00 0.00 O ATOM 193 CB PRO A 12 24.962 -40.666 -15.352 1.00 0.00 C ATOM 194 CG PRO A 12 24.130 -39.473 -14.824 1.00 0.00 C ATOM 195 CD PRO A 12 24.966 -38.810 -13.713 1.00 0.00 C ATOM 0 HA PRO A 12 26.963 -41.299 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.866 -40.757 -16.434 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.613 -41.604 -14.921 1.00 0.00 H new ATOM 0 HG2 PRO A 12 23.918 -38.764 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.170 -39.812 -14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 12 25.036 -37.732 -13.857 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.523 -38.972 -12.730 1.00 0.00 H new ATOM 203 N ARG A 13 27.028 -38.446 -16.270 1.00 0.00 N ATOM 204 CA ARG A 13 27.746 -37.744 -17.370 1.00 0.00 C ATOM 205 C ARG A 13 27.363 -36.262 -17.359 1.00 0.00 C ATOM 206 O ARG A 13 26.200 -35.911 -17.370 1.00 0.00 O ATOM 207 CB ARG A 13 27.354 -38.363 -18.713 1.00 0.00 C ATOM 208 CG ARG A 13 28.580 -38.423 -19.625 1.00 0.00 C ATOM 209 CD ARG A 13 28.144 -38.253 -21.080 1.00 0.00 C ATOM 210 NE ARG A 13 27.953 -36.806 -21.378 1.00 0.00 N ATOM 211 CZ ARG A 13 28.111 -36.366 -22.596 1.00 0.00 C ATOM 212 NH1 ARG A 13 29.312 -36.179 -23.070 1.00 0.00 N ATOM 213 NH2 ARG A 13 27.069 -36.115 -23.340 1.00 0.00 N ATOM 0 H ARG A 13 26.436 -37.852 -15.690 1.00 0.00 H new ATOM 0 HA ARG A 13 28.822 -37.844 -17.226 1.00 0.00 H new ATOM 0 HB2 ARG A 13 26.952 -39.365 -18.560 1.00 0.00 H new ATOM 0 HB3 ARG A 13 26.567 -37.772 -19.182 1.00 0.00 H new ATOM 0 HG2 ARG A 13 29.287 -37.640 -19.353 1.00 0.00 H new ATOM 0 HG3 ARG A 13 29.095 -39.375 -19.498 1.00 0.00 H new ATOM 0 HD2 ARG A 13 28.895 -38.676 -21.747 1.00 0.00 H new ATOM 0 HD3 ARG A 13 27.216 -38.797 -21.258 1.00 0.00 H new ATOM 0 HE ARG A 13 27.699 -36.160 -20.631 1.00 0.00 H new ATOM 0 HH11 ARG A 13 30.126 -36.377 -22.488 1.00 0.00 H new ATOM 0 HH12 ARG A 13 29.437 -35.835 -24.022 1.00 0.00 H new ATOM 0 HH21 ARG A 13 26.130 -36.263 -22.969 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.193 -35.771 -24.292 1.00 0.00 H new ATOM 227 N LYS A 14 28.333 -35.390 -17.336 1.00 0.00 N ATOM 228 CA LYS A 14 28.021 -33.933 -17.323 1.00 0.00 C ATOM 229 C LYS A 14 29.286 -33.135 -17.648 1.00 0.00 C ATOM 230 O LYS A 14 29.763 -32.356 -16.847 1.00 0.00 O ATOM 231 CB LYS A 14 27.510 -33.533 -15.938 1.00 0.00 C ATOM 232 CG LYS A 14 25.980 -33.497 -15.949 1.00 0.00 C ATOM 233 CD LYS A 14 25.491 -32.313 -15.113 1.00 0.00 C ATOM 234 CE LYS A 14 24.197 -31.762 -15.714 1.00 0.00 C ATOM 235 NZ LYS A 14 24.326 -30.290 -15.907 1.00 0.00 N ATOM 0 H LYS A 14 29.326 -35.623 -17.326 1.00 0.00 H new ATOM 0 HA LYS A 14 27.256 -33.720 -18.069 1.00 0.00 H new ATOM 0 HB2 LYS A 14 27.862 -34.243 -15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.905 -32.556 -15.661 1.00 0.00 H new ATOM 0 HG2 LYS A 14 25.615 -33.409 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 14 25.581 -34.429 -15.548 1.00 0.00 H new ATOM 0 HD2 LYS A 14 25.321 -32.627 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 14 26.253 -31.534 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.991 -32.248 -16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 14 23.356 -31.981 -15.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 23.446 -29.915 -16.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 24.503 -29.834 -14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 25.118 -30.092 -16.551 1.00 0.00 H new ATOM 249 N ASN A 15 29.833 -33.322 -18.817 1.00 0.00 N ATOM 250 CA ASN A 15 31.066 -32.573 -19.190 1.00 0.00 C ATOM 251 C ASN A 15 30.677 -31.231 -19.814 1.00 0.00 C ATOM 252 O ASN A 15 30.317 -31.156 -20.972 1.00 0.00 O ATOM 253 CB ASN A 15 31.874 -33.389 -20.201 1.00 0.00 C ATOM 254 CG ASN A 15 32.340 -34.692 -19.550 1.00 0.00 C ATOM 255 OD1 ASN A 15 32.721 -34.707 -18.396 1.00 0.00 O ATOM 256 ND2 ASN A 15 32.327 -35.796 -20.246 1.00 0.00 N ATOM 0 H ASN A 15 29.480 -33.961 -19.530 1.00 0.00 H new ATOM 0 HA ASN A 15 31.669 -32.400 -18.299 1.00 0.00 H new ATOM 0 HB2 ASN A 15 31.265 -33.606 -21.079 1.00 0.00 H new ATOM 0 HB3 ASN A 15 32.734 -32.814 -20.544 1.00 0.00 H new ATOM 0 HD21 ASN A 15 32.636 -36.670 -19.821 1.00 0.00 H new ATOM 0 HD22 ASN A 15 32.007 -35.785 -21.215 1.00 0.00 H new ATOM 263 N LYS A 16 30.745 -30.170 -19.056 1.00 0.00 N ATOM 264 CA LYS A 16 30.378 -28.837 -19.609 1.00 0.00 C ATOM 265 C LYS A 16 28.968 -28.899 -20.201 1.00 0.00 C ATOM 266 O LYS A 16 28.755 -29.436 -21.270 1.00 0.00 O ATOM 267 CB LYS A 16 31.375 -28.449 -20.706 1.00 0.00 C ATOM 268 CG LYS A 16 31.894 -27.034 -20.446 1.00 0.00 C ATOM 269 CD LYS A 16 32.739 -26.575 -21.636 1.00 0.00 C ATOM 270 CE LYS A 16 32.015 -25.445 -22.368 1.00 0.00 C ATOM 271 NZ LYS A 16 30.929 -26.016 -23.215 1.00 0.00 N ATOM 0 H LYS A 16 31.039 -30.170 -18.079 1.00 0.00 H new ATOM 0 HA LYS A 16 30.404 -28.094 -18.812 1.00 0.00 H new ATOM 0 HB2 LYS A 16 32.205 -29.155 -20.724 1.00 0.00 H new ATOM 0 HB3 LYS A 16 30.894 -28.498 -21.683 1.00 0.00 H new ATOM 0 HG2 LYS A 16 31.058 -26.351 -20.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 32.490 -27.016 -19.534 1.00 0.00 H new ATOM 0 HD2 LYS A 16 33.715 -26.233 -21.292 1.00 0.00 H new ATOM 0 HD3 LYS A 16 32.914 -27.409 -22.315 1.00 0.00 H new ATOM 0 HE2 LYS A 16 31.597 -24.741 -21.649 1.00 0.00 H new ATOM 0 HE3 LYS A 16 32.719 -24.889 -22.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 30.437 -25.247 -23.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 31.339 -26.672 -23.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 30.252 -26.528 -22.614 1.00 0.00 H new ATOM 285 N ASN A 17 28.002 -28.354 -19.514 1.00 0.00 N ATOM 286 CA ASN A 17 26.607 -28.381 -20.038 1.00 0.00 C ATOM 287 C ASN A 17 25.840 -27.167 -19.512 1.00 0.00 C ATOM 288 O ASN A 17 25.488 -27.097 -18.352 1.00 0.00 O ATOM 289 CB ASN A 17 25.911 -29.663 -19.574 1.00 0.00 C ATOM 290 CG ASN A 17 24.415 -29.572 -19.876 1.00 0.00 C ATOM 291 OD1 ASN A 17 23.966 -28.632 -20.500 1.00 0.00 O ATOM 292 ND2 ASN A 17 23.620 -30.519 -19.458 1.00 0.00 N ATOM 0 H ASN A 17 28.118 -27.891 -18.613 1.00 0.00 H new ATOM 0 HA ASN A 17 26.629 -28.353 -21.127 1.00 0.00 H new ATOM 0 HB2 ASN A 17 26.343 -30.527 -20.080 1.00 0.00 H new ATOM 0 HB3 ASN A 17 26.068 -29.808 -18.505 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.620 -30.470 -19.655 1.00 0.00 H new ATOM 0 HD22 ASN A 17 23.998 -31.308 -18.934 1.00 0.00 H new ATOM 299 N ILE A 18 25.578 -26.209 -20.358 1.00 0.00 N ATOM 300 CA ILE A 18 24.833 -25.000 -19.905 1.00 0.00 C ATOM 301 C ILE A 18 23.536 -25.430 -19.217 1.00 0.00 C ATOM 302 O ILE A 18 22.991 -26.479 -19.500 1.00 0.00 O ATOM 303 CB ILE A 18 24.505 -24.121 -21.113 1.00 0.00 C ATOM 304 CG1 ILE A 18 25.805 -23.654 -21.772 1.00 0.00 C ATOM 305 CG2 ILE A 18 23.699 -22.903 -20.657 1.00 0.00 C ATOM 306 CD1 ILE A 18 25.816 -24.077 -23.241 1.00 0.00 C ATOM 0 H ILE A 18 25.847 -26.211 -21.342 1.00 0.00 H new ATOM 0 HA ILE A 18 25.446 -24.436 -19.203 1.00 0.00 H new ATOM 0 HB ILE A 18 23.919 -24.696 -21.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 25.895 -22.571 -21.694 1.00 0.00 H new ATOM 0 HG13 ILE A 18 26.662 -24.083 -21.253 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.466 -22.278 -21.519 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.773 -23.235 -20.188 1.00 0.00 H new ATOM 0 HG23 ILE A 18 24.284 -22.328 -19.939 1.00 0.00 H new ATOM 0 HD11 ILE A 18 26.742 -23.744 -23.709 1.00 0.00 H new ATOM 0 HD12 ILE A 18 25.746 -25.163 -23.308 1.00 0.00 H new ATOM 0 HD13 ILE A 18 24.967 -23.627 -23.756 1.00 0.00 H new ATOM 318 N LYS A 19 23.036 -24.630 -18.314 1.00 0.00 N ATOM 319 CA LYS A 19 21.776 -24.996 -17.609 1.00 0.00 C ATOM 320 C LYS A 19 22.036 -26.193 -16.692 1.00 0.00 C ATOM 321 O LYS A 19 22.353 -27.275 -17.144 1.00 0.00 O ATOM 322 CB LYS A 19 20.704 -25.364 -18.637 1.00 0.00 C ATOM 323 CG LYS A 19 19.586 -24.321 -18.603 1.00 0.00 C ATOM 324 CD LYS A 19 18.245 -24.997 -18.895 1.00 0.00 C ATOM 325 CE LYS A 19 17.601 -25.442 -17.580 1.00 0.00 C ATOM 326 NZ LYS A 19 18.245 -26.701 -17.111 1.00 0.00 N ATOM 0 H LYS A 19 23.446 -23.739 -18.035 1.00 0.00 H new ATOM 0 HA LYS A 19 21.433 -24.149 -17.014 1.00 0.00 H new ATOM 0 HB2 LYS A 19 21.142 -25.411 -19.634 1.00 0.00 H new ATOM 0 HB3 LYS A 19 20.300 -26.353 -18.419 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.556 -23.837 -17.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.780 -23.541 -19.340 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.585 -24.307 -19.421 1.00 0.00 H new ATOM 0 HD3 LYS A 19 18.394 -25.856 -19.549 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.712 -24.662 -16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.532 -25.599 -17.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.624 -27.173 -16.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.406 -27.332 -17.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 19.155 -26.478 -16.660 1.00 0.00 H new ATOM 340 N VAL A 20 21.907 -26.008 -15.406 1.00 0.00 N ATOM 341 CA VAL A 20 22.150 -27.135 -14.463 1.00 0.00 C ATOM 342 C VAL A 20 20.834 -27.539 -13.797 1.00 0.00 C ATOM 343 O VAL A 20 19.908 -26.760 -13.703 1.00 0.00 O ATOM 344 CB VAL A 20 23.149 -26.696 -13.391 1.00 0.00 C ATOM 345 CG1 VAL A 20 24.461 -26.277 -14.054 1.00 0.00 C ATOM 346 CG2 VAL A 20 22.571 -25.510 -12.614 1.00 0.00 C ATOM 0 H VAL A 20 21.644 -25.125 -14.969 1.00 0.00 H new ATOM 0 HA VAL A 20 22.554 -27.985 -15.012 1.00 0.00 H new ATOM 0 HB VAL A 20 23.336 -27.525 -12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.172 -25.964 -13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.873 -27.119 -14.610 1.00 0.00 H new ATOM 0 HG13 VAL A 20 24.275 -25.448 -14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 20 23.281 -25.195 -11.849 1.00 0.00 H new ATOM 0 HG22 VAL A 20 22.384 -24.683 -13.299 1.00 0.00 H new ATOM 0 HG23 VAL A 20 21.635 -25.807 -12.140 1.00 0.00 H new ATOM 356 N ASN A 21 20.747 -28.755 -13.327 1.00 0.00 N ATOM 357 CA ASN A 21 19.494 -29.210 -12.663 1.00 0.00 C ATOM 358 C ASN A 21 18.294 -28.909 -13.562 1.00 0.00 C ATOM 359 O ASN A 21 18.428 -28.737 -14.758 1.00 0.00 O ATOM 360 CB ASN A 21 19.329 -28.471 -11.333 1.00 0.00 C ATOM 361 CG ASN A 21 18.710 -29.412 -10.297 1.00 0.00 C ATOM 362 OD1 ASN A 21 17.519 -29.155 -9.829 1.00 0.00 O flip ATOM 363 ND2 ASN A 21 19.317 -30.390 -9.909 1.00 0.00 N flip ATOM 0 H ASN A 21 21.490 -29.452 -13.375 1.00 0.00 H new ATOM 0 HA ASN A 21 19.550 -30.284 -12.484 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.297 -28.113 -10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 21 18.695 -27.595 -11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 21 20.248 -30.591 -10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 21 18.896 -31.010 -9.217 1.00 0.00 H new ATOM 370 N THR A 22 17.124 -28.842 -12.993 1.00 0.00 N ATOM 371 CA THR A 22 15.911 -28.550 -13.805 1.00 0.00 C ATOM 372 C THR A 22 14.833 -27.955 -12.898 1.00 0.00 C ATOM 373 O THR A 22 14.758 -28.265 -11.725 1.00 0.00 O ATOM 374 CB THR A 22 15.392 -29.845 -14.438 1.00 0.00 C ATOM 375 OG1 THR A 22 16.448 -30.794 -14.502 1.00 0.00 O ATOM 376 CG2 THR A 22 14.878 -29.554 -15.849 1.00 0.00 C ATOM 0 H THR A 22 16.955 -28.977 -11.996 1.00 0.00 H new ATOM 0 HA THR A 22 16.160 -27.840 -14.594 1.00 0.00 H new ATOM 0 HB THR A 22 14.579 -30.246 -13.833 1.00 0.00 H new ATOM 0 HG1 THR A 22 16.118 -31.624 -14.905 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.509 -30.476 -16.299 1.00 0.00 H new ATOM 0 HG22 THR A 22 14.069 -28.825 -15.798 1.00 0.00 H new ATOM 0 HG23 THR A 22 15.690 -29.153 -16.456 1.00 0.00 H new ATOM 384 N TYR A 23 14.003 -27.098 -13.425 1.00 0.00 N ATOM 385 CA TYR A 23 12.940 -26.486 -12.580 1.00 0.00 C ATOM 386 C TYR A 23 13.598 -25.693 -11.448 1.00 0.00 C ATOM 387 O TYR A 23 14.320 -26.237 -10.636 1.00 0.00 O ATOM 388 CB TYR A 23 12.057 -27.588 -11.990 1.00 0.00 C ATOM 389 CG TYR A 23 10.715 -27.011 -11.612 1.00 0.00 C ATOM 390 CD1 TYR A 23 9.995 -26.246 -12.539 1.00 0.00 C ATOM 391 CD2 TYR A 23 10.190 -27.240 -10.334 1.00 0.00 C ATOM 392 CE1 TYR A 23 8.748 -25.711 -12.187 1.00 0.00 C ATOM 393 CE2 TYR A 23 8.943 -26.704 -9.982 1.00 0.00 C ATOM 394 CZ TYR A 23 8.223 -25.940 -10.909 1.00 0.00 C ATOM 395 OH TYR A 23 6.995 -25.413 -10.563 1.00 0.00 O ATOM 0 H TYR A 23 14.014 -26.796 -14.399 1.00 0.00 H new ATOM 0 HA TYR A 23 12.325 -25.820 -13.186 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.928 -28.392 -12.715 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.537 -28.023 -11.114 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.400 -26.069 -13.524 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.746 -27.829 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.192 -25.122 -12.902 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.538 -26.880 -8.996 1.00 0.00 H new ATOM 0 HH TYR A 23 6.778 -25.667 -9.642 1.00 0.00 H new ATOM 405 N ARG A 24 13.360 -24.413 -11.390 1.00 0.00 N ATOM 406 CA ARG A 24 13.981 -23.589 -10.314 1.00 0.00 C ATOM 407 C ARG A 24 12.889 -23.030 -9.399 1.00 0.00 C ATOM 408 O ARG A 24 11.717 -23.063 -9.720 1.00 0.00 O ATOM 409 CB ARG A 24 14.762 -22.434 -10.942 1.00 0.00 C ATOM 410 CG ARG A 24 13.823 -21.596 -11.813 1.00 0.00 C ATOM 411 CD ARG A 24 14.639 -20.604 -12.642 1.00 0.00 C ATOM 412 NE ARG A 24 13.824 -20.142 -13.800 1.00 0.00 N ATOM 413 CZ ARG A 24 14.331 -19.303 -14.662 1.00 0.00 C ATOM 414 NH1 ARG A 24 15.558 -19.454 -15.078 1.00 0.00 N ATOM 415 NH2 ARG A 24 13.608 -18.313 -15.109 1.00 0.00 N ATOM 0 H ARG A 24 12.763 -23.901 -12.040 1.00 0.00 H new ATOM 0 HA ARG A 24 14.659 -24.210 -9.729 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.203 -21.813 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.584 -22.822 -11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.245 -22.245 -12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.110 -21.061 -11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.932 -19.753 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.557 -21.075 -12.994 1.00 0.00 H new ATOM 0 HE ARG A 24 12.870 -20.481 -13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.123 -20.229 -14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.953 -18.798 -15.752 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.648 -18.195 -14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.003 -17.657 -15.783 1.00 0.00 H new ATOM 429 N THR A 25 13.267 -22.516 -8.261 1.00 0.00 N ATOM 430 CA THR A 25 12.256 -21.954 -7.321 1.00 0.00 C ATOM 431 C THR A 25 12.204 -20.432 -7.473 1.00 0.00 C ATOM 432 O THR A 25 11.466 -19.755 -6.785 1.00 0.00 O ATOM 433 CB THR A 25 12.645 -22.309 -5.884 1.00 0.00 C ATOM 434 OG1 THR A 25 13.997 -22.744 -5.856 1.00 0.00 O ATOM 435 CG2 THR A 25 11.736 -23.426 -5.366 1.00 0.00 C ATOM 0 H THR A 25 14.234 -22.461 -7.941 1.00 0.00 H new ATOM 0 HA THR A 25 11.276 -22.374 -7.549 1.00 0.00 H new ATOM 0 HB THR A 25 12.532 -21.430 -5.249 1.00 0.00 H new ATOM 0 HG1 THR A 25 14.249 -22.970 -4.936 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.015 -23.677 -4.343 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.699 -23.091 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.846 -24.307 -5.998 1.00 0.00 H new ATOM 443 N SER A 26 12.983 -19.886 -8.368 1.00 0.00 N ATOM 444 CA SER A 26 12.976 -18.408 -8.558 1.00 0.00 C ATOM 445 C SER A 26 11.868 -18.026 -9.542 1.00 0.00 C ATOM 446 O SER A 26 11.458 -18.817 -10.368 1.00 0.00 O ATOM 447 CB SER A 26 14.327 -17.960 -9.114 1.00 0.00 C ATOM 448 OG SER A 26 15.079 -19.102 -9.502 1.00 0.00 O ATOM 0 H SER A 26 13.623 -20.399 -8.975 1.00 0.00 H new ATOM 0 HA SER A 26 12.797 -17.919 -7.600 1.00 0.00 H new ATOM 0 HB2 SER A 26 14.180 -17.300 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 26 14.872 -17.390 -8.361 1.00 0.00 H new ATOM 0 HG SER A 26 15.945 -18.817 -9.861 1.00 0.00 H new ATOM 454 N ALA A 27 11.378 -16.819 -9.459 1.00 0.00 N ATOM 455 CA ALA A 27 10.296 -16.389 -10.388 1.00 0.00 C ATOM 456 C ALA A 27 9.067 -17.276 -10.183 1.00 0.00 C ATOM 457 O ALA A 27 9.176 -18.469 -9.976 1.00 0.00 O ATOM 458 CB ALA A 27 10.784 -16.518 -11.833 1.00 0.00 C ATOM 0 H ALA A 27 11.680 -16.113 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 27 10.033 -15.351 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.993 -16.204 -12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.660 -15.886 -11.979 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.047 -17.556 -12.037 1.00 0.00 H new ATOM 464 N MET A 28 7.895 -16.704 -10.234 1.00 0.00 N ATOM 465 CA MET A 28 6.660 -17.514 -10.038 1.00 0.00 C ATOM 466 C MET A 28 5.977 -17.737 -11.388 1.00 0.00 C ATOM 467 O MET A 28 6.113 -16.949 -12.303 1.00 0.00 O ATOM 468 CB MET A 28 5.708 -16.771 -9.099 1.00 0.00 C ATOM 469 CG MET A 28 6.470 -16.320 -7.851 1.00 0.00 C ATOM 470 SD MET A 28 6.994 -14.600 -8.053 1.00 0.00 S ATOM 471 CE MET A 28 8.717 -14.825 -7.544 1.00 0.00 C ATOM 0 H MET A 28 7.740 -15.710 -10.403 1.00 0.00 H new ATOM 0 HA MET A 28 6.922 -18.478 -9.601 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.279 -15.908 -9.608 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.879 -17.420 -8.817 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.836 -16.417 -6.970 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.338 -16.959 -7.691 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.354 -14.137 -8.100 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.810 -14.624 -6.477 1.00 0.00 H new ATOM 0 HE3 MET A 28 9.026 -15.850 -7.748 1.00 0.00 H new ATOM 481 N ASP A 29 5.241 -18.806 -11.520 1.00 0.00 N ATOM 482 CA ASP A 29 4.547 -19.080 -12.809 1.00 0.00 C ATOM 483 C ASP A 29 3.128 -18.508 -12.759 1.00 0.00 C ATOM 484 O ASP A 29 2.373 -18.615 -13.705 1.00 0.00 O ATOM 485 CB ASP A 29 4.481 -20.591 -13.042 1.00 0.00 C ATOM 486 CG ASP A 29 5.895 -21.174 -13.028 1.00 0.00 C ATOM 487 OD1 ASP A 29 6.653 -20.819 -12.142 1.00 0.00 O ATOM 488 OD2 ASP A 29 6.196 -21.966 -13.906 1.00 0.00 O ATOM 0 H ASP A 29 5.090 -19.502 -10.790 1.00 0.00 H new ATOM 0 HA ASP A 29 5.098 -18.610 -13.624 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.875 -21.062 -12.269 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.999 -20.801 -13.997 1.00 0.00 H new ATOM 493 N LEU A 30 2.759 -17.899 -11.663 1.00 0.00 N ATOM 494 CA LEU A 30 1.389 -17.322 -11.560 1.00 0.00 C ATOM 495 C LEU A 30 1.105 -16.460 -12.789 1.00 0.00 C ATOM 496 O LEU A 30 0.312 -16.811 -13.639 1.00 0.00 O ATOM 497 CB LEU A 30 1.292 -16.458 -10.300 1.00 0.00 C ATOM 498 CG LEU A 30 -0.139 -16.500 -9.760 1.00 0.00 C ATOM 499 CD1 LEU A 30 -0.425 -17.884 -9.175 1.00 0.00 C ATOM 500 CD2 LEU A 30 -0.303 -15.442 -8.667 1.00 0.00 C ATOM 0 H LEU A 30 3.346 -17.777 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 30 0.659 -18.130 -11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.988 -16.820 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.576 -15.431 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.838 -16.297 -10.571 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.445 -17.913 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.309 -18.639 -9.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.274 -18.088 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.322 -15.472 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.397 -15.645 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.101 -14.455 -9.083 1.00 0.00 H new ATOM 512 N SER A 31 1.751 -15.334 -12.887 1.00 0.00 N ATOM 513 CA SER A 31 1.525 -14.442 -14.059 1.00 0.00 C ATOM 514 C SER A 31 2.602 -13.354 -14.087 1.00 0.00 C ATOM 515 O SER A 31 2.337 -12.213 -13.764 1.00 0.00 O ATOM 516 CB SER A 31 0.146 -13.792 -13.946 1.00 0.00 C ATOM 517 OG SER A 31 -0.571 -14.000 -15.156 1.00 0.00 O ATOM 0 H SER A 31 2.428 -14.991 -12.205 1.00 0.00 H new ATOM 0 HA SER A 31 1.576 -15.027 -14.977 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.403 -14.219 -13.107 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.249 -12.725 -13.750 1.00 0.00 H new ATOM 0 HG SER A 31 -1.457 -13.586 -15.087 1.00 0.00 H new ATOM 523 N PRO A 32 3.790 -13.744 -14.475 1.00 0.00 N ATOM 524 CA PRO A 32 4.939 -12.826 -14.562 1.00 0.00 C ATOM 525 C PRO A 32 4.850 -11.980 -15.834 1.00 0.00 C ATOM 526 O PRO A 32 4.852 -12.496 -16.935 1.00 0.00 O ATOM 527 CB PRO A 32 6.145 -13.768 -14.615 1.00 0.00 C ATOM 528 CG PRO A 32 5.615 -15.130 -15.126 1.00 0.00 C ATOM 529 CD PRO A 32 4.096 -15.136 -14.865 1.00 0.00 C ATOM 0 HA PRO A 32 4.991 -12.121 -13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.914 -13.376 -15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.599 -13.873 -13.630 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.826 -15.254 -16.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.101 -15.955 -14.605 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.540 -15.432 -15.755 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.830 -15.839 -14.075 1.00 0.00 H new ATOM 537 N GLY A 33 4.769 -10.685 -15.695 1.00 0.00 N ATOM 538 CA GLY A 33 4.678 -9.811 -16.898 1.00 0.00 C ATOM 539 C GLY A 33 3.673 -10.406 -17.888 1.00 0.00 C ATOM 540 O GLY A 33 3.949 -10.536 -19.064 1.00 0.00 O ATOM 0 H GLY A 33 4.762 -10.195 -14.801 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.368 -8.807 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.657 -9.719 -17.368 1.00 0.00 H new ATOM 544 N SER A 34 2.510 -10.772 -17.421 1.00 0.00 N ATOM 545 CA SER A 34 1.493 -11.359 -18.335 1.00 0.00 C ATOM 546 C SER A 34 0.289 -10.421 -18.432 1.00 0.00 C ATOM 547 O SER A 34 0.096 -9.553 -17.604 1.00 0.00 O ATOM 548 CB SER A 34 1.040 -12.716 -17.791 1.00 0.00 C ATOM 549 OG SER A 34 1.756 -13.749 -18.455 1.00 0.00 O ATOM 0 H SER A 34 2.222 -10.689 -16.446 1.00 0.00 H new ATOM 0 HA SER A 34 1.930 -11.491 -19.325 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.216 -12.768 -16.717 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.032 -12.843 -17.945 1.00 0.00 H new ATOM 0 HG SER A 34 1.470 -14.620 -18.108 1.00 0.00 H new ATOM 555 N VAL A 35 -0.523 -10.590 -19.440 1.00 0.00 N ATOM 556 CA VAL A 35 -1.714 -9.710 -19.594 1.00 0.00 C ATOM 557 C VAL A 35 -2.982 -10.514 -19.303 1.00 0.00 C ATOM 558 O VAL A 35 -3.000 -11.723 -19.420 1.00 0.00 O ATOM 559 CB VAL A 35 -1.763 -9.174 -21.026 1.00 0.00 C ATOM 560 CG1 VAL A 35 -2.538 -7.855 -21.054 1.00 0.00 C ATOM 561 CG2 VAL A 35 -0.337 -8.938 -21.528 1.00 0.00 C ATOM 0 H VAL A 35 -0.412 -11.300 -20.164 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.647 -8.876 -18.895 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.262 -9.900 -21.669 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.572 -7.475 -22.075 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.554 -8.022 -20.695 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.041 -7.127 -20.412 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.369 -8.556 -22.548 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.160 -8.212 -20.884 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.215 -9.877 -21.509 1.00 0.00 H new ATOM 571 N HIS A 36 -4.043 -9.855 -18.925 1.00 0.00 N ATOM 572 CA HIS A 36 -5.306 -10.589 -18.626 1.00 0.00 C ATOM 573 C HIS A 36 -6.485 -9.611 -18.641 1.00 0.00 C ATOM 574 O HIS A 36 -6.307 -8.410 -18.683 1.00 0.00 O ATOM 575 CB HIS A 36 -5.200 -11.239 -17.244 1.00 0.00 C ATOM 576 CG HIS A 36 -5.502 -12.710 -17.353 1.00 0.00 C ATOM 577 ND1 HIS A 36 -6.796 -13.193 -17.466 1.00 0.00 N ATOM 578 CD2 HIS A 36 -4.686 -13.814 -17.365 1.00 0.00 C ATOM 579 CE1 HIS A 36 -6.723 -14.535 -17.539 1.00 0.00 C ATOM 580 NE2 HIS A 36 -5.459 -14.966 -17.481 1.00 0.00 N ATOM 0 H HIS A 36 -4.090 -8.843 -18.810 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.466 -11.359 -19.381 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.199 -11.092 -16.838 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.897 -10.765 -16.553 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.608 -13.792 -17.295 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.581 -15.184 -17.633 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.131 -15.931 -17.515 1.00 0.00 H new ATOM 588 N GLU A 37 -7.687 -10.117 -18.605 1.00 0.00 N ATOM 589 CA GLU A 37 -8.877 -9.218 -18.614 1.00 0.00 C ATOM 590 C GLU A 37 -9.389 -9.046 -17.184 1.00 0.00 C ATOM 591 O GLU A 37 -9.180 -9.888 -16.334 1.00 0.00 O ATOM 592 CB GLU A 37 -9.978 -9.836 -19.480 1.00 0.00 C ATOM 593 CG GLU A 37 -10.375 -11.197 -18.907 1.00 0.00 C ATOM 594 CD GLU A 37 -11.872 -11.202 -18.591 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.642 -10.825 -19.460 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.223 -11.582 -17.487 1.00 0.00 O ATOM 0 H GLU A 37 -7.897 -11.114 -18.570 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.599 -8.247 -19.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.845 -9.176 -19.511 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.628 -9.950 -20.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.141 -11.986 -19.621 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.801 -11.404 -18.004 1.00 0.00 H new ATOM 603 N GLY A 38 -10.054 -7.958 -16.906 1.00 0.00 N ATOM 604 CA GLY A 38 -10.569 -7.735 -15.526 1.00 0.00 C ATOM 605 C GLY A 38 -11.537 -6.552 -15.525 1.00 0.00 C ATOM 606 O GLY A 38 -11.740 -5.903 -16.531 1.00 0.00 O ATOM 0 H GLY A 38 -10.262 -7.215 -17.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.074 -8.631 -15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.741 -7.541 -14.845 1.00 0.00 H new ATOM 610 N ILE A 39 -12.134 -6.264 -14.402 1.00 0.00 N ATOM 611 CA ILE A 39 -13.084 -5.118 -14.339 1.00 0.00 C ATOM 612 C ILE A 39 -12.344 -3.897 -13.795 1.00 0.00 C ATOM 613 O ILE A 39 -11.425 -4.021 -13.010 1.00 0.00 O ATOM 614 CB ILE A 39 -14.247 -5.470 -13.408 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.827 -6.827 -13.814 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.332 -4.399 -13.517 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.709 -7.366 -12.686 1.00 0.00 C ATOM 0 H ILE A 39 -12.006 -6.771 -13.527 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.475 -4.902 -15.333 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.889 -5.518 -12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.411 -6.725 -14.729 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.021 -7.529 -14.027 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.160 -4.651 -12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.919 -3.432 -13.231 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.693 -4.350 -14.544 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.121 -8.332 -12.977 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.112 -7.483 -11.782 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.523 -6.667 -12.495 1.00 0.00 H new ATOM 629 N VAL A 40 -12.715 -2.718 -14.216 1.00 0.00 N ATOM 630 CA VAL A 40 -11.999 -1.506 -13.723 1.00 0.00 C ATOM 631 C VAL A 40 -12.783 -0.849 -12.582 1.00 0.00 C ATOM 632 O VAL A 40 -13.995 -0.873 -12.553 1.00 0.00 O ATOM 633 CB VAL A 40 -11.841 -0.509 -14.874 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.070 0.719 -14.385 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.068 -1.170 -16.018 1.00 0.00 C ATOM 0 H VAL A 40 -13.475 -2.542 -14.873 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.018 -1.801 -13.350 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.826 -0.204 -15.227 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.958 1.428 -15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.617 1.191 -13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.085 0.413 -14.032 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.955 -0.461 -16.838 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.083 -1.475 -15.663 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.615 -2.046 -16.368 1.00 0.00 H new ATOM 645 N TYR A 41 -12.092 -0.260 -11.644 1.00 0.00 N ATOM 646 CA TYR A 41 -12.786 0.406 -10.504 1.00 0.00 C ATOM 647 C TYR A 41 -12.069 1.718 -10.177 1.00 0.00 C ATOM 648 O TYR A 41 -10.880 1.852 -10.380 1.00 0.00 O ATOM 649 CB TYR A 41 -12.756 -0.511 -9.278 1.00 0.00 C ATOM 650 CG TYR A 41 -14.028 -0.333 -8.482 1.00 0.00 C ATOM 651 CD1 TYR A 41 -14.241 0.848 -7.760 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.994 -1.349 -8.466 1.00 0.00 C ATOM 653 CE1 TYR A 41 -15.421 1.014 -7.021 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.173 -1.182 -7.727 1.00 0.00 C ATOM 655 CZ TYR A 41 -16.386 0.000 -7.005 1.00 0.00 C ATOM 656 OH TYR A 41 -17.548 0.163 -6.278 1.00 0.00 O ATOM 0 H TYR A 41 -11.074 -0.211 -11.618 1.00 0.00 H new ATOM 0 HA TYR A 41 -13.822 0.610 -10.776 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.653 -1.550 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.891 -0.278 -8.657 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -13.497 1.630 -7.772 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.830 -2.260 -9.023 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.585 1.925 -6.464 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.917 -1.964 -7.714 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.110 -0.634 -6.376 1.00 0.00 H new ATOM 666 N PHE A 42 -12.780 2.691 -9.676 1.00 0.00 N ATOM 667 CA PHE A 42 -12.129 3.990 -9.344 1.00 0.00 C ATOM 668 C PHE A 42 -12.294 4.282 -7.852 1.00 0.00 C ATOM 669 O PHE A 42 -13.393 4.301 -7.332 1.00 0.00 O ATOM 670 CB PHE A 42 -12.783 5.110 -10.154 1.00 0.00 C ATOM 671 CG PHE A 42 -12.234 6.443 -9.707 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.029 6.919 -10.241 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.929 7.205 -8.758 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.518 8.156 -9.826 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.418 8.443 -8.343 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.213 8.917 -8.877 1.00 0.00 C ATOM 0 H PHE A 42 -13.780 2.643 -9.483 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.068 3.933 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.591 4.964 -11.217 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.864 5.087 -10.019 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.494 6.332 -10.973 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.858 6.839 -8.346 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.589 8.522 -10.237 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.953 9.031 -7.612 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.819 9.870 -8.557 1.00 0.00 H new ATOM 686 N LYS A 43 -11.213 4.508 -7.156 1.00 0.00 N ATOM 687 CA LYS A 43 -11.320 4.797 -5.697 1.00 0.00 C ATOM 688 C LYS A 43 -10.019 5.427 -5.191 1.00 0.00 C ATOM 689 O LYS A 43 -8.939 5.091 -5.634 1.00 0.00 O ATOM 690 CB LYS A 43 -11.582 3.493 -4.941 1.00 0.00 C ATOM 691 CG LYS A 43 -12.714 3.705 -3.934 1.00 0.00 C ATOM 692 CD LYS A 43 -13.189 2.349 -3.407 1.00 0.00 C ATOM 693 CE LYS A 43 -14.718 2.304 -3.418 1.00 0.00 C ATOM 694 NZ LYS A 43 -15.173 0.885 -3.449 1.00 0.00 N ATOM 0 H LYS A 43 -10.265 4.505 -7.532 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.142 5.493 -5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.848 2.701 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.677 3.171 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.369 4.327 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.542 4.233 -4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.787 1.546 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.817 2.190 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.114 2.805 -2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.102 2.839 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.038 0.785 -2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.370 0.605 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.429 0.273 -3.057 1.00 0.00 H new ATOM 708 N ASP A 44 -10.119 6.337 -4.259 1.00 0.00 N ATOM 709 CA ASP A 44 -8.895 6.990 -3.713 1.00 0.00 C ATOM 710 C ASP A 44 -8.142 7.703 -4.837 1.00 0.00 C ATOM 711 O ASP A 44 -7.000 8.090 -4.683 1.00 0.00 O ATOM 712 CB ASP A 44 -7.989 5.929 -3.087 1.00 0.00 C ATOM 713 CG ASP A 44 -8.815 5.043 -2.153 1.00 0.00 C ATOM 714 OD1 ASP A 44 -9.716 5.564 -1.518 1.00 0.00 O ATOM 715 OD2 ASP A 44 -8.531 3.857 -2.088 1.00 0.00 O ATOM 0 H ASP A 44 -10.998 6.657 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.184 7.719 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.527 5.323 -3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.181 6.406 -2.533 1.00 0.00 H new ATOM 720 N GLY A 45 -8.768 7.882 -5.968 1.00 0.00 N ATOM 721 CA GLY A 45 -8.081 8.570 -7.098 1.00 0.00 C ATOM 722 C GLY A 45 -7.321 7.540 -7.935 1.00 0.00 C ATOM 723 O GLY A 45 -7.024 7.762 -9.092 1.00 0.00 O ATOM 0 H GLY A 45 -9.724 7.582 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.810 9.091 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.392 9.323 -6.715 1.00 0.00 H new ATOM 727 N ILE A 46 -7.003 6.412 -7.359 1.00 0.00 N ATOM 728 CA ILE A 46 -6.263 5.367 -8.122 1.00 0.00 C ATOM 729 C ILE A 46 -7.267 4.426 -8.788 1.00 0.00 C ATOM 730 O ILE A 46 -8.464 4.596 -8.670 1.00 0.00 O ATOM 731 CB ILE A 46 -5.373 4.572 -7.166 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.231 3.976 -6.048 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.318 5.500 -6.560 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.743 2.563 -5.726 1.00 0.00 C ATOM 0 H ILE A 46 -7.224 6.169 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.643 5.839 -8.884 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.879 3.769 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.174 4.603 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.277 3.950 -6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.683 4.933 -5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.707 5.925 -7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.811 6.304 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.355 2.139 -4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.823 1.939 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.703 2.602 -5.403 1.00 0.00 H new ATOM 746 N PHE A 47 -6.791 3.434 -9.489 1.00 0.00 N ATOM 747 CA PHE A 47 -7.724 2.489 -10.160 1.00 0.00 C ATOM 748 C PHE A 47 -7.673 1.133 -9.454 1.00 0.00 C ATOM 749 O PHE A 47 -6.802 0.873 -8.648 1.00 0.00 O ATOM 750 CB PHE A 47 -7.310 2.318 -11.621 1.00 0.00 C ATOM 751 CG PHE A 47 -8.051 3.319 -12.476 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.433 3.190 -12.665 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.356 4.375 -13.080 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.121 4.119 -13.457 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.044 5.304 -13.873 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.427 5.175 -14.061 1.00 0.00 C ATOM 0 H PHE A 47 -5.799 3.238 -9.625 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.739 2.885 -10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.234 2.461 -11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.530 1.304 -11.956 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.968 2.375 -12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.290 4.473 -12.935 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.187 4.021 -13.602 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.509 6.118 -14.339 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.958 5.890 -14.672 1.00 0.00 H new ATOM 766 N LYS A 48 -8.600 0.267 -9.754 1.00 0.00 N ATOM 767 CA LYS A 48 -8.606 -1.071 -9.103 1.00 0.00 C ATOM 768 C LYS A 48 -9.055 -2.126 -10.113 1.00 0.00 C ATOM 769 O LYS A 48 -10.045 -1.961 -10.798 1.00 0.00 O ATOM 770 CB LYS A 48 -9.571 -1.056 -7.915 1.00 0.00 C ATOM 771 CG LYS A 48 -8.794 -1.316 -6.622 1.00 0.00 C ATOM 772 CD LYS A 48 -9.417 -0.512 -5.480 1.00 0.00 C ATOM 773 CE LYS A 48 -10.888 -0.904 -5.321 1.00 0.00 C ATOM 774 NZ LYS A 48 -11.118 -1.422 -3.941 1.00 0.00 N ATOM 0 H LYS A 48 -9.354 0.429 -10.422 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.602 -1.309 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.080 -0.094 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.341 -1.816 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.811 -2.379 -6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.749 -1.035 -6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.877 -0.701 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.334 0.555 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.528 -0.042 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.154 -1.664 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.117 -1.689 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.518 -2.256 -3.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.879 -0.683 -3.249 1.00 0.00 H new ATOM 788 N VAL A 49 -8.338 -3.209 -10.211 1.00 0.00 N ATOM 789 CA VAL A 49 -8.727 -4.273 -11.177 1.00 0.00 C ATOM 790 C VAL A 49 -9.302 -5.466 -10.415 1.00 0.00 C ATOM 791 O VAL A 49 -8.623 -6.100 -9.632 1.00 0.00 O ATOM 792 CB VAL A 49 -7.495 -4.718 -11.968 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.930 -5.616 -13.128 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.775 -3.487 -12.520 1.00 0.00 C ATOM 0 H VAL A 49 -7.499 -3.404 -9.664 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.479 -3.884 -11.864 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.822 -5.272 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.053 -5.933 -13.692 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.446 -6.493 -12.736 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.602 -5.063 -13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.897 -3.802 -13.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.449 -2.935 -13.175 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.466 -2.846 -11.695 1.00 0.00 H new ATOM 804 N ARG A 50 -10.550 -5.776 -10.636 1.00 0.00 N ATOM 805 CA ARG A 50 -11.167 -6.931 -9.922 1.00 0.00 C ATOM 806 C ARG A 50 -11.158 -8.155 -10.838 1.00 0.00 C ATOM 807 O ARG A 50 -11.610 -8.101 -11.965 1.00 0.00 O ATOM 808 CB ARG A 50 -12.611 -6.586 -9.551 1.00 0.00 C ATOM 809 CG ARG A 50 -12.627 -5.763 -8.261 1.00 0.00 C ATOM 810 CD ARG A 50 -12.968 -4.309 -8.590 1.00 0.00 C ATOM 811 NE ARG A 50 -13.502 -3.637 -7.372 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.391 -4.239 -6.631 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.363 -4.906 -7.189 1.00 0.00 N ATOM 814 NH2 ARG A 50 -14.309 -4.173 -5.330 1.00 0.00 N ATOM 0 H ARG A 50 -11.169 -5.281 -11.279 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.599 -7.147 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.080 -6.024 -10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.191 -7.499 -9.419 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.360 -6.171 -7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.656 -5.818 -7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.080 -3.787 -8.946 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.704 -4.269 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.172 -2.706 -7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.429 -4.957 -8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.058 -5.376 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.550 -3.651 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.004 -4.644 -4.751 1.00 0.00 H new ATOM 828 N LEU A 51 -10.644 -9.262 -10.370 1.00 0.00 N ATOM 829 CA LEU A 51 -10.611 -10.480 -11.226 1.00 0.00 C ATOM 830 C LEU A 51 -11.818 -11.363 -10.907 1.00 0.00 C ATOM 831 O LEU A 51 -11.690 -12.423 -10.329 1.00 0.00 O ATOM 832 CB LEU A 51 -9.323 -11.261 -10.958 1.00 0.00 C ATOM 833 CG LEU A 51 -8.385 -11.127 -12.159 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.126 -11.531 -13.434 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.921 -9.674 -12.281 1.00 0.00 C ATOM 0 H LEU A 51 -10.248 -9.374 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.644 -10.185 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.836 -10.883 -10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.553 -12.311 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.521 -11.777 -12.019 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.457 -11.435 -14.289 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.460 -12.565 -13.349 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.990 -10.881 -13.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.252 -9.576 -13.136 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.786 -9.026 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.393 -9.383 -11.373 1.00 0.00 H new ATOM 847 N LEU A 52 -12.992 -10.934 -11.281 1.00 0.00 N ATOM 848 CA LEU A 52 -14.206 -11.750 -11.002 1.00 0.00 C ATOM 849 C LEU A 52 -14.051 -13.126 -11.651 1.00 0.00 C ATOM 850 O LEU A 52 -13.564 -13.251 -12.758 1.00 0.00 O ATOM 851 CB LEU A 52 -15.437 -11.047 -11.576 1.00 0.00 C ATOM 852 CG LEU A 52 -16.459 -10.814 -10.461 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.784 -12.145 -9.779 1.00 0.00 C ATOM 854 CD2 LEU A 52 -15.877 -9.844 -9.429 1.00 0.00 C ATOM 0 H LEU A 52 -13.163 -10.054 -11.768 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.328 -11.868 -9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.150 -10.096 -12.025 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.878 -11.652 -12.368 1.00 0.00 H new ATOM 0 HG LEU A 52 -17.369 -10.391 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.512 -11.979 -8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.198 -12.838 -10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.874 -12.568 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.605 -9.678 -8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.967 -10.268 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.644 -8.895 -9.912 1.00 0.00 H new ATOM 866 N GLY A 53 -14.456 -14.162 -10.969 1.00 0.00 N ATOM 867 CA GLY A 53 -14.325 -15.530 -11.545 1.00 0.00 C ATOM 868 C GLY A 53 -13.357 -16.346 -10.690 1.00 0.00 C ATOM 869 O GLY A 53 -13.321 -17.560 -10.756 1.00 0.00 O ATOM 0 H GLY A 53 -14.872 -14.120 -10.038 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.299 -16.018 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.962 -15.472 -12.571 1.00 0.00 H new ATOM 873 N TYR A 54 -12.569 -15.687 -9.883 1.00 0.00 N ATOM 874 CA TYR A 54 -11.603 -16.419 -9.018 1.00 0.00 C ATOM 875 C TYR A 54 -12.050 -16.311 -7.558 1.00 0.00 C ATOM 876 O TYR A 54 -11.808 -17.193 -6.757 1.00 0.00 O ATOM 877 CB TYR A 54 -10.210 -15.803 -9.174 1.00 0.00 C ATOM 878 CG TYR A 54 -9.254 -16.847 -9.698 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.132 -17.056 -11.078 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.489 -17.608 -8.804 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.243 -18.025 -11.564 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.601 -18.577 -9.291 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.479 -18.786 -10.670 1.00 0.00 C ATOM 884 OH TYR A 54 -6.605 -19.740 -11.149 1.00 0.00 O ATOM 0 H TYR A 54 -12.554 -14.672 -9.786 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.569 -17.468 -9.313 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.250 -14.955 -9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.859 -15.422 -8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.723 -16.471 -11.767 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.584 -17.448 -7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.147 -18.185 -12.628 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.011 -19.163 -8.602 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.153 -20.176 -10.397 1.00 0.00 H new ATOM 894 N GLU A 55 -12.703 -15.237 -7.208 1.00 0.00 N ATOM 895 CA GLU A 55 -13.171 -15.070 -5.803 1.00 0.00 C ATOM 896 C GLU A 55 -11.965 -14.941 -4.872 1.00 0.00 C ATOM 897 O GLU A 55 -11.452 -15.919 -4.366 1.00 0.00 O ATOM 898 CB GLU A 55 -14.003 -16.288 -5.393 1.00 0.00 C ATOM 899 CG GLU A 55 -15.041 -16.585 -6.479 1.00 0.00 C ATOM 900 CD GLU A 55 -16.452 -16.480 -5.894 1.00 0.00 C ATOM 901 OE1 GLU A 55 -16.565 -16.244 -4.702 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.398 -16.638 -6.649 1.00 0.00 O ATOM 0 H GLU A 55 -12.933 -14.467 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.782 -14.170 -5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.355 -17.152 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.500 -16.099 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.927 -15.883 -7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -14.880 -17.584 -6.885 1.00 0.00 H new ATOM 909 N GLY A 56 -11.509 -13.740 -4.638 1.00 0.00 N ATOM 910 CA GLY A 56 -10.338 -13.551 -3.737 1.00 0.00 C ATOM 911 C GLY A 56 -9.206 -12.862 -4.503 1.00 0.00 C ATOM 912 O GLY A 56 -8.229 -12.429 -3.926 1.00 0.00 O ATOM 0 H GLY A 56 -11.897 -12.883 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.624 -12.951 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.999 -14.515 -3.357 1.00 0.00 H new ATOM 916 N HIS A 57 -9.329 -12.759 -5.799 1.00 0.00 N ATOM 917 CA HIS A 57 -8.256 -12.098 -6.594 1.00 0.00 C ATOM 918 C HIS A 57 -8.580 -10.610 -6.750 1.00 0.00 C ATOM 919 O HIS A 57 -9.200 -10.194 -7.711 1.00 0.00 O ATOM 920 CB HIS A 57 -8.163 -12.751 -7.974 1.00 0.00 C ATOM 921 CG HIS A 57 -6.717 -12.913 -8.352 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.327 -13.430 -9.577 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.555 -12.629 -7.678 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.982 -13.441 -9.603 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.461 -12.962 -8.470 1.00 0.00 N ATOM 0 H HIS A 57 -10.123 -13.103 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.302 -12.209 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.659 -13.722 -7.964 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.678 -12.138 -8.714 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.947 -13.745 -10.323 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.499 -12.211 -6.684 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.395 -13.794 -10.438 1.00 0.00 H new ATOM 933 N GLU A 58 -8.160 -9.805 -5.811 1.00 0.00 N ATOM 934 CA GLU A 58 -8.436 -8.344 -5.900 1.00 0.00 C ATOM 935 C GLU A 58 -7.139 -7.605 -6.227 1.00 0.00 C ATOM 936 O GLU A 58 -6.257 -7.481 -5.400 1.00 0.00 O ATOM 937 CB GLU A 58 -8.982 -7.846 -4.561 1.00 0.00 C ATOM 938 CG GLU A 58 -10.025 -6.755 -4.807 1.00 0.00 C ATOM 939 CD GLU A 58 -10.501 -6.193 -3.465 1.00 0.00 C ATOM 940 OE1 GLU A 58 -9.703 -6.162 -2.543 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.654 -5.803 -3.384 1.00 0.00 O ATOM 0 H GLU A 58 -7.637 -10.098 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.171 -8.158 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.429 -8.673 -4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.170 -7.455 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.597 -5.959 -5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.869 -7.163 -5.363 1.00 0.00 H new ATOM 948 N CYS A 59 -7.014 -7.112 -7.428 1.00 0.00 N ATOM 949 CA CYS A 59 -5.771 -6.383 -7.804 1.00 0.00 C ATOM 950 C CYS A 59 -6.054 -4.882 -7.827 1.00 0.00 C ATOM 951 O CYS A 59 -7.191 -4.453 -7.829 1.00 0.00 O ATOM 952 CB CYS A 59 -5.305 -6.832 -9.191 1.00 0.00 C ATOM 953 SG CYS A 59 -5.649 -8.597 -9.410 1.00 0.00 S ATOM 0 H CYS A 59 -7.717 -7.182 -8.164 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.991 -6.601 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.815 -6.254 -9.961 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.238 -6.643 -9.305 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.593 -9.196 -8.258 1.00 0.00 H new ATOM 959 N ILE A 60 -5.027 -4.080 -7.848 1.00 0.00 N ATOM 960 CA ILE A 60 -5.231 -2.606 -7.878 1.00 0.00 C ATOM 961 C ILE A 60 -4.399 -2.014 -9.012 1.00 0.00 C ATOM 962 O ILE A 60 -3.243 -2.342 -9.178 1.00 0.00 O ATOM 963 CB ILE A 60 -4.783 -1.999 -6.547 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.592 -2.790 -6.000 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.935 -2.058 -5.543 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.831 -1.931 -4.989 1.00 0.00 C ATOM 0 H ILE A 60 -4.053 -4.383 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.286 -2.383 -8.037 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.491 -0.961 -6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.939 -3.708 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.931 -3.083 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.614 -1.625 -4.595 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.784 -1.495 -5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.229 -3.096 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.983 -2.494 -4.599 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.472 -1.026 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.495 -1.661 -4.168 1.00 0.00 H new ATOM 978 N LEU A 61 -4.969 -1.143 -9.797 1.00 0.00 N ATOM 979 CA LEU A 61 -4.190 -0.546 -10.914 1.00 0.00 C ATOM 980 C LEU A 61 -3.660 0.817 -10.483 1.00 0.00 C ATOM 981 O LEU A 61 -4.410 1.711 -10.144 1.00 0.00 O ATOM 982 CB LEU A 61 -5.085 -0.377 -12.141 1.00 0.00 C ATOM 983 CG LEU A 61 -4.268 0.247 -13.274 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.185 -0.734 -14.444 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.946 1.539 -13.738 1.00 0.00 C ATOM 0 H LEU A 61 -5.933 -0.821 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.358 -1.204 -11.166 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.483 -1.343 -12.452 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.938 0.257 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.263 0.471 -12.917 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.603 -0.289 -15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.703 -1.654 -14.114 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.190 -0.959 -14.802 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.365 1.985 -14.545 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.951 1.314 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.005 2.239 -12.904 1.00 0.00 H new ATOM 997 N LEU A 62 -2.367 0.984 -10.494 1.00 0.00 N ATOM 998 CA LEU A 62 -1.787 2.293 -10.082 1.00 0.00 C ATOM 999 C LEU A 62 -0.411 2.472 -10.725 1.00 0.00 C ATOM 1000 O LEU A 62 -0.027 3.564 -11.092 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.657 2.340 -8.558 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.801 1.168 -8.079 1.00 0.00 C ATOM 1003 CD1 LEU A 62 0.640 1.638 -7.881 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -1.352 0.646 -6.749 1.00 0.00 C ATOM 0 H LEU A 62 -1.689 0.274 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.443 3.099 -10.411 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.205 3.283 -8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.644 2.295 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.826 0.371 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.251 0.803 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.033 2.013 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.664 2.434 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.743 -0.190 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.326 1.443 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.381 0.313 -6.887 1.00 0.00 H new ATOM 1016 N ASP A 63 0.335 1.410 -10.867 1.00 0.00 N ATOM 1017 CA ASP A 63 1.682 1.532 -11.491 1.00 0.00 C ATOM 1018 C ASP A 63 1.558 2.307 -12.801 1.00 0.00 C ATOM 1019 O ASP A 63 2.387 3.134 -13.126 1.00 0.00 O ATOM 1020 CB ASP A 63 2.243 0.138 -11.775 1.00 0.00 C ATOM 1021 CG ASP A 63 3.623 0.000 -11.126 1.00 0.00 C ATOM 1022 OD1 ASP A 63 4.194 1.018 -10.774 1.00 0.00 O ATOM 1023 OD2 ASP A 63 4.083 -1.122 -10.994 1.00 0.00 O ATOM 0 H ASP A 63 0.071 0.468 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 63 2.353 2.059 -10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.568 -0.624 -11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.318 -0.023 -12.850 1.00 0.00 H new ATOM 1028 N TYR A 64 0.526 2.050 -13.559 1.00 0.00 N ATOM 1029 CA TYR A 64 0.353 2.778 -14.848 1.00 0.00 C ATOM 1030 C TYR A 64 -1.110 3.193 -15.011 1.00 0.00 C ATOM 1031 O TYR A 64 -1.822 2.675 -15.847 1.00 0.00 O ATOM 1032 CB TYR A 64 0.756 1.867 -16.008 1.00 0.00 C ATOM 1033 CG TYR A 64 1.884 2.508 -16.779 1.00 0.00 C ATOM 1034 CD1 TYR A 64 3.211 2.310 -16.375 1.00 0.00 C ATOM 1035 CD2 TYR A 64 1.603 3.300 -17.900 1.00 0.00 C ATOM 1036 CE1 TYR A 64 4.257 2.905 -17.092 1.00 0.00 C ATOM 1037 CE2 TYR A 64 2.650 3.895 -18.617 1.00 0.00 C ATOM 1038 CZ TYR A 64 3.977 3.697 -18.214 1.00 0.00 C ATOM 1039 OH TYR A 64 5.007 4.282 -18.920 1.00 0.00 O ATOM 0 H TYR A 64 -0.202 1.370 -13.342 1.00 0.00 H new ATOM 0 HA TYR A 64 0.984 3.667 -14.848 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.067 0.893 -15.629 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.097 1.696 -16.664 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.427 1.699 -15.511 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.580 3.452 -18.211 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.280 2.753 -16.780 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.434 4.506 -19.481 1.00 0.00 H new ATOM 0 HH TYR A 64 5.454 3.604 -19.468 1.00 0.00 H new ATOM 1049 N LEU A 65 -1.564 4.126 -14.220 1.00 0.00 N ATOM 1050 CA LEU A 65 -2.981 4.574 -14.335 1.00 0.00 C ATOM 1051 C LEU A 65 -3.235 5.103 -15.747 1.00 0.00 C ATOM 1052 O LEU A 65 -4.216 4.766 -16.381 1.00 0.00 O ATOM 1053 CB LEU A 65 -3.250 5.685 -13.317 1.00 0.00 C ATOM 1054 CG LEU A 65 -2.957 5.167 -11.907 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -1.792 5.953 -11.304 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -4.199 5.349 -11.031 1.00 0.00 C ATOM 0 H LEU A 65 -1.016 4.597 -13.500 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.645 3.733 -14.137 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.625 6.551 -13.535 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.287 6.014 -13.387 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.695 4.110 -11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.585 5.583 -10.300 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.907 5.827 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.053 7.010 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.993 4.981 -10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.459 6.406 -10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.031 4.790 -11.459 1.00 0.00 H new ATOM 1068 N ASN A 66 -2.357 5.930 -16.247 1.00 0.00 N ATOM 1069 CA ASN A 66 -2.547 6.481 -17.619 1.00 0.00 C ATOM 1070 C ASN A 66 -3.778 7.389 -17.640 1.00 0.00 C ATOM 1071 O ASN A 66 -4.835 7.031 -17.158 1.00 0.00 O ATOM 1072 CB ASN A 66 -2.746 5.331 -18.609 1.00 0.00 C ATOM 1073 CG ASN A 66 -2.165 5.721 -19.969 1.00 0.00 C ATOM 1074 OD1 ASN A 66 -2.078 6.889 -20.293 1.00 0.00 O ATOM 1075 ND2 ASN A 66 -1.760 4.786 -20.785 1.00 0.00 N ATOM 0 H ASN A 66 -1.516 6.248 -15.764 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.666 7.057 -17.903 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.258 4.430 -18.238 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.807 5.101 -18.707 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.371 5.036 -21.694 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.833 3.805 -20.514 1.00 0.00 H new ATOM 1082 N TYR A 67 -3.650 8.563 -18.196 1.00 0.00 N ATOM 1083 CA TYR A 67 -4.811 9.494 -18.249 1.00 0.00 C ATOM 1084 C TYR A 67 -4.981 10.015 -19.678 1.00 0.00 C ATOM 1085 O TYR A 67 -4.023 10.367 -20.338 1.00 0.00 O ATOM 1086 CB TYR A 67 -4.564 10.671 -17.304 1.00 0.00 C ATOM 1087 CG TYR A 67 -5.328 10.457 -16.019 1.00 0.00 C ATOM 1088 CD1 TYR A 67 -6.714 10.658 -15.988 1.00 0.00 C ATOM 1089 CD2 TYR A 67 -4.651 10.058 -14.859 1.00 0.00 C ATOM 1090 CE1 TYR A 67 -7.424 10.462 -14.796 1.00 0.00 C ATOM 1091 CE2 TYR A 67 -5.361 9.861 -13.667 1.00 0.00 C ATOM 1092 CZ TYR A 67 -6.747 10.064 -13.636 1.00 0.00 C ATOM 1093 OH TYR A 67 -7.446 9.870 -12.462 1.00 0.00 O ATOM 0 H TYR A 67 -2.791 8.917 -18.616 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.715 8.966 -17.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.498 10.765 -17.094 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.879 11.602 -17.776 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.235 10.964 -16.883 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.583 9.902 -14.884 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.492 10.618 -14.772 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.840 9.553 -12.773 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.827 9.595 -11.754 1.00 0.00 H new ATOM 1103 N ARG A 68 -6.192 10.069 -20.161 1.00 0.00 N ATOM 1104 CA ARG A 68 -6.418 10.569 -21.547 1.00 0.00 C ATOM 1105 C ARG A 68 -7.091 11.941 -21.491 1.00 0.00 C ATOM 1106 O ARG A 68 -7.855 12.305 -22.364 1.00 0.00 O ATOM 1107 CB ARG A 68 -7.317 9.590 -22.305 1.00 0.00 C ATOM 1108 CG ARG A 68 -6.648 9.200 -23.625 1.00 0.00 C ATOM 1109 CD ARG A 68 -7.651 8.451 -24.503 1.00 0.00 C ATOM 1110 NE ARG A 68 -7.607 9.001 -25.886 1.00 0.00 N ATOM 1111 CZ ARG A 68 -8.660 9.586 -26.387 1.00 0.00 C ATOM 1112 NH1 ARG A 68 -9.186 10.614 -25.777 1.00 0.00 N ATOM 1113 NH2 ARG A 68 -9.186 9.145 -27.496 1.00 0.00 N ATOM 0 H ARG A 68 -7.033 9.789 -19.657 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.461 10.654 -22.062 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.497 8.702 -21.700 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.288 10.046 -22.498 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.291 10.091 -24.141 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.778 8.573 -23.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.416 7.387 -24.516 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.656 8.551 -24.092 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.755 8.921 -26.441 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.774 10.959 -24.910 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.009 11.072 -26.168 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.774 8.342 -27.972 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.009 9.603 -27.887 1.00 0.00 H new ATOM 1127 N GLN A 69 -6.814 12.706 -20.471 1.00 0.00 N ATOM 1128 CA GLN A 69 -7.434 14.057 -20.357 1.00 0.00 C ATOM 1129 C GLN A 69 -8.952 13.918 -20.216 1.00 0.00 C ATOM 1130 O GLN A 69 -9.473 13.769 -19.128 1.00 0.00 O ATOM 1131 CB GLN A 69 -7.108 14.877 -21.607 1.00 0.00 C ATOM 1132 CG GLN A 69 -5.801 15.639 -21.392 1.00 0.00 C ATOM 1133 CD GLN A 69 -4.724 14.677 -20.887 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -4.190 13.893 -21.644 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -4.382 14.704 -19.628 1.00 0.00 N ATOM 0 H GLN A 69 -6.184 12.453 -19.710 1.00 0.00 H new ATOM 0 HA GLN A 69 -7.036 14.563 -19.477 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.020 14.220 -22.473 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.918 15.575 -21.818 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -5.481 16.102 -22.325 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.951 16.443 -20.672 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.831 15.363 -18.992 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.666 14.066 -19.280 1.00 0.00 H new ATOM 1144 N ASP A 70 -9.668 13.969 -21.307 1.00 0.00 N ATOM 1145 CA ASP A 70 -11.152 13.843 -21.231 1.00 0.00 C ATOM 1146 C ASP A 70 -11.735 15.102 -20.586 1.00 0.00 C ATOM 1147 O ASP A 70 -11.216 15.610 -19.612 1.00 0.00 O ATOM 1148 CB ASP A 70 -11.516 12.620 -20.387 1.00 0.00 C ATOM 1149 CG ASP A 70 -12.927 12.150 -20.746 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -13.615 12.882 -21.438 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -13.295 11.067 -20.322 1.00 0.00 O ATOM 0 H ASP A 70 -9.290 14.092 -22.246 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.561 13.726 -22.234 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.799 11.818 -20.563 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.463 12.868 -19.327 1.00 0.00 H new ATOM 1156 N THR A 71 -12.810 15.612 -21.124 1.00 0.00 N ATOM 1157 CA THR A 71 -13.425 16.838 -20.542 1.00 0.00 C ATOM 1158 C THR A 71 -13.956 16.530 -19.141 1.00 0.00 C ATOM 1159 O THR A 71 -15.104 16.172 -18.967 1.00 0.00 O ATOM 1160 CB THR A 71 -14.578 17.302 -21.435 1.00 0.00 C ATOM 1161 OG1 THR A 71 -15.336 18.290 -20.752 1.00 0.00 O ATOM 1162 CG2 THR A 71 -15.473 16.110 -21.775 1.00 0.00 C ATOM 0 H THR A 71 -13.288 15.232 -21.941 1.00 0.00 H new ATOM 0 HA THR A 71 -12.674 17.625 -20.478 1.00 0.00 H new ATOM 0 HB THR A 71 -14.178 17.726 -22.356 1.00 0.00 H new ATOM 0 HG1 THR A 71 -16.074 18.589 -21.323 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.294 16.441 -22.411 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.889 15.355 -22.301 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.875 15.683 -20.856 1.00 0.00 H new ATOM 1170 N LEU A 72 -13.130 16.670 -18.139 1.00 0.00 N ATOM 1171 CA LEU A 72 -13.589 16.388 -16.750 1.00 0.00 C ATOM 1172 C LEU A 72 -13.880 14.894 -16.598 1.00 0.00 C ATOM 1173 O LEU A 72 -14.409 14.454 -15.597 1.00 0.00 O ATOM 1174 CB LEU A 72 -14.861 17.186 -16.462 1.00 0.00 C ATOM 1175 CG LEU A 72 -14.639 18.072 -15.235 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -14.213 19.470 -15.686 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -15.942 18.171 -14.436 1.00 0.00 C ATOM 0 H LEU A 72 -12.158 16.967 -18.223 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.809 16.678 -16.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.122 17.799 -17.325 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -15.697 16.508 -16.288 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.859 17.638 -14.609 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.055 20.102 -14.812 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.287 19.402 -16.257 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.993 19.904 -16.311 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.785 18.802 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.721 18.606 -15.062 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -16.248 17.175 -14.115 1.00 0.00 H new ATOM 1189 N ASP A 73 -13.540 14.108 -17.584 1.00 0.00 N ATOM 1190 CA ASP A 73 -13.800 12.644 -17.490 1.00 0.00 C ATOM 1191 C ASP A 73 -15.306 12.402 -17.365 1.00 0.00 C ATOM 1192 O ASP A 73 -15.745 11.526 -16.647 1.00 0.00 O ATOM 1193 CB ASP A 73 -13.090 12.078 -16.258 1.00 0.00 C ATOM 1194 CG ASP A 73 -12.051 11.043 -16.692 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -11.421 11.258 -17.715 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -11.902 10.054 -15.994 1.00 0.00 O ATOM 0 H ASP A 73 -13.095 14.416 -18.448 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.424 12.149 -18.386 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.607 12.882 -15.703 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.816 11.619 -15.587 1.00 0.00 H new ATOM 1201 N ARG A 74 -16.100 13.172 -18.057 1.00 0.00 N ATOM 1202 CA ARG A 74 -17.576 12.983 -17.972 1.00 0.00 C ATOM 1203 C ARG A 74 -17.948 11.612 -18.539 1.00 0.00 C ATOM 1204 O ARG A 74 -18.627 10.831 -17.903 1.00 0.00 O ATOM 1205 CB ARG A 74 -18.280 14.077 -18.778 1.00 0.00 C ATOM 1206 CG ARG A 74 -19.763 14.109 -18.402 1.00 0.00 C ATOM 1207 CD ARG A 74 -19.927 14.770 -17.032 1.00 0.00 C ATOM 1208 NE ARG A 74 -20.443 16.157 -17.207 1.00 0.00 N ATOM 1209 CZ ARG A 74 -19.844 16.979 -18.025 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -18.587 17.279 -17.844 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -20.503 17.503 -19.022 1.00 0.00 N ATOM 0 H ARG A 74 -15.792 13.922 -18.676 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.889 13.043 -16.930 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.821 15.045 -18.577 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.168 13.887 -19.845 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.328 14.660 -19.154 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -20.166 13.096 -18.380 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.615 14.190 -16.417 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.971 14.790 -16.509 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.265 16.464 -16.687 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.073 16.871 -17.063 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -18.119 17.921 -18.483 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.486 17.270 -19.162 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.035 18.145 -19.661 1.00 0.00 H new ATOM 1225 N LEU A 75 -17.510 11.312 -19.731 1.00 0.00 N ATOM 1226 CA LEU A 75 -17.841 9.990 -20.335 1.00 0.00 C ATOM 1227 C LEU A 75 -16.977 8.905 -19.690 1.00 0.00 C ATOM 1228 O LEU A 75 -17.403 7.780 -19.517 1.00 0.00 O ATOM 1229 CB LEU A 75 -17.565 10.031 -21.840 1.00 0.00 C ATOM 1230 CG LEU A 75 -18.624 10.889 -22.533 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -17.981 12.178 -23.050 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -19.218 10.112 -23.710 1.00 0.00 C ATOM 0 H LEU A 75 -16.938 11.924 -20.312 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.894 9.767 -20.165 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.572 10.440 -22.027 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -17.576 9.021 -22.250 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.412 11.136 -21.822 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.737 12.789 -23.544 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.555 12.733 -22.214 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.192 11.931 -23.761 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.973 10.723 -24.205 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -18.428 9.866 -24.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.677 9.193 -23.345 1.00 0.00 H new ATOM 1244 N LYS A 76 -15.765 9.231 -19.334 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.876 8.215 -18.703 1.00 0.00 C ATOM 1246 C LYS A 76 -15.470 7.779 -17.363 1.00 0.00 C ATOM 1247 O LYS A 76 -15.261 6.670 -16.913 1.00 0.00 O ATOM 1248 CB LYS A 76 -13.490 8.822 -18.477 1.00 0.00 C ATOM 1249 CG LYS A 76 -12.554 8.392 -19.609 1.00 0.00 C ATOM 1250 CD LYS A 76 -11.655 7.252 -19.124 1.00 0.00 C ATOM 1251 CE LYS A 76 -11.342 6.318 -20.294 1.00 0.00 C ATOM 1252 NZ LYS A 76 -9.877 6.041 -20.331 1.00 0.00 N ATOM 0 H LYS A 76 -15.352 10.156 -19.453 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.790 7.349 -19.359 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.559 9.909 -18.441 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.091 8.496 -17.517 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.135 8.069 -20.473 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.946 9.237 -19.933 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.731 7.654 -18.709 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.149 6.699 -18.325 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.897 5.386 -20.187 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.661 6.773 -21.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.664 5.406 -21.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.358 6.934 -20.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.586 5.590 -19.440 1.00 0.00 H new ATOM 1266 N GLU A 77 -16.212 8.640 -16.722 1.00 0.00 N ATOM 1267 CA GLU A 77 -16.820 8.268 -15.414 1.00 0.00 C ATOM 1268 C GLU A 77 -17.728 7.051 -15.609 1.00 0.00 C ATOM 1269 O GLU A 77 -17.686 6.104 -14.849 1.00 0.00 O ATOM 1270 CB GLU A 77 -17.646 9.441 -14.881 1.00 0.00 C ATOM 1271 CG GLU A 77 -16.741 10.385 -14.088 1.00 0.00 C ATOM 1272 CD GLU A 77 -16.412 9.758 -12.732 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -16.355 8.541 -12.661 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -16.220 10.505 -11.787 1.00 0.00 O ATOM 0 H GLU A 77 -16.423 9.583 -17.047 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.032 8.028 -14.700 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.112 9.977 -15.708 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -18.451 9.073 -14.245 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.823 10.578 -14.644 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.236 11.346 -13.946 1.00 0.00 H new ATOM 1281 N ARG A 78 -18.548 7.071 -16.624 1.00 0.00 N ATOM 1282 CA ARG A 78 -19.457 5.918 -16.873 1.00 0.00 C ATOM 1283 C ARG A 78 -18.662 4.767 -17.493 1.00 0.00 C ATOM 1284 O ARG A 78 -19.012 3.612 -17.355 1.00 0.00 O ATOM 1285 CB ARG A 78 -20.568 6.345 -17.835 1.00 0.00 C ATOM 1286 CG ARG A 78 -21.784 5.434 -17.651 1.00 0.00 C ATOM 1287 CD ARG A 78 -22.930 6.231 -17.026 1.00 0.00 C ATOM 1288 NE ARG A 78 -24.081 6.274 -17.971 1.00 0.00 N ATOM 1289 CZ ARG A 78 -25.265 5.899 -17.574 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -25.444 4.698 -17.096 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -26.272 6.726 -17.655 1.00 0.00 N ATOM 0 H ARG A 78 -18.627 7.838 -17.292 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.896 5.591 -15.931 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.846 7.382 -17.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.213 6.291 -18.864 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -22.094 5.025 -18.613 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.525 4.589 -17.013 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -23.235 5.772 -16.086 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -22.599 7.243 -16.794 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.943 6.597 -18.929 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -24.657 4.052 -17.033 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -26.371 4.405 -16.786 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -26.132 7.665 -18.029 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -27.199 6.433 -17.345 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.592 5.073 -18.175 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.774 3.998 -18.805 1.00 0.00 C ATOM 1307 C LEU A 79 -16.181 3.106 -17.714 1.00 0.00 C ATOM 1308 O LEU A 79 -16.121 1.898 -17.850 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.642 4.631 -19.614 1.00 0.00 C ATOM 1310 CG LEU A 79 -15.748 4.185 -21.072 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -14.962 5.149 -21.961 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -15.172 2.774 -21.214 1.00 0.00 C ATOM 0 H LEU A 79 -17.249 6.022 -18.323 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.403 3.399 -19.464 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.698 5.718 -19.550 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.677 4.337 -19.202 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.794 4.184 -21.377 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.038 4.830 -23.000 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.371 6.154 -21.859 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.915 5.151 -21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -15.246 2.453 -22.253 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.126 2.776 -20.909 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.733 2.087 -20.581 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.742 3.693 -16.634 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.151 2.890 -15.525 1.00 0.00 C ATOM 1326 C VAL A 80 -15.972 1.615 -15.318 1.00 0.00 C ATOM 1327 O VAL A 80 -17.096 1.512 -15.766 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.167 3.716 -14.241 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.334 3.012 -13.168 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.576 5.100 -14.518 1.00 0.00 C ATOM 0 H VAL A 80 -15.767 4.700 -16.471 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.125 2.622 -15.778 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.194 3.821 -13.891 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.346 3.603 -12.252 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.754 2.026 -12.970 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.307 2.905 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.587 5.690 -13.602 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.549 4.994 -14.869 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.170 5.603 -15.281 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.420 0.645 -14.643 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.171 -0.620 -14.410 1.00 0.00 C ATOM 1342 C GLY A 81 -15.976 -1.558 -15.602 1.00 0.00 C ATOM 1343 O GLY A 81 -15.693 -2.728 -15.439 1.00 0.00 O ATOM 0 H GLY A 81 -14.482 0.674 -14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.821 -1.099 -13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.231 -0.406 -14.272 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.132 -1.047 -16.796 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.971 -1.890 -18.020 1.00 0.00 C ATOM 1349 C ARG A 82 -14.822 -2.885 -17.841 1.00 0.00 C ATOM 1350 O ARG A 82 -13.994 -2.752 -16.963 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.671 -0.987 -19.218 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.895 -0.127 -19.534 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.904 -0.950 -20.335 1.00 0.00 C ATOM 1354 NE ARG A 82 -19.183 -0.194 -20.452 1.00 0.00 N ATOM 1355 CZ ARG A 82 -20.309 -0.836 -20.600 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -20.581 -1.861 -19.841 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -21.163 -0.454 -21.509 1.00 0.00 N ATOM 0 H ARG A 82 -16.367 -0.071 -16.978 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.894 -2.445 -18.188 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.814 -0.350 -19.000 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.406 -1.592 -20.085 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -17.351 0.228 -18.610 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.597 0.754 -20.101 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.506 -1.168 -21.326 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.079 -1.908 -19.844 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.178 0.825 -20.416 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.913 -2.161 -19.131 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -21.462 -2.362 -19.957 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.950 0.347 -22.104 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.043 -0.956 -21.625 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.760 -3.878 -18.687 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.666 -4.881 -18.580 1.00 0.00 C ATOM 1373 C VAL A 83 -12.554 -4.504 -19.554 1.00 0.00 C ATOM 1374 O VAL A 83 -12.796 -4.221 -20.711 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.206 -6.269 -18.932 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -15.069 -6.788 -17.782 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.052 -6.179 -20.204 1.00 0.00 C ATOM 0 H VAL A 83 -15.421 -4.036 -19.447 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.277 -4.896 -17.562 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.372 -6.952 -19.097 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.453 -7.777 -18.033 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -14.467 -6.852 -16.876 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -15.903 -6.106 -17.616 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.437 -7.167 -20.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.885 -5.496 -20.039 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.437 -5.810 -21.025 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.338 -4.479 -19.091 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.209 -4.099 -19.980 1.00 0.00 C ATOM 1389 C ILE A 84 -9.039 -5.061 -19.769 1.00 0.00 C ATOM 1390 O ILE A 84 -9.068 -5.910 -18.901 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.768 -2.678 -19.630 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.663 -2.547 -18.109 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.803 -1.679 -20.151 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -8.392 -3.242 -17.619 1.00 0.00 C ATOM 0 H ILE A 84 -11.077 -4.706 -18.132 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.526 -4.148 -21.022 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.801 -2.472 -20.088 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.646 -1.495 -17.825 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.538 -2.991 -17.635 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.488 -0.666 -19.901 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.890 -1.776 -21.233 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.770 -1.883 -19.690 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.320 -3.147 -16.536 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.427 -4.297 -17.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.522 -2.778 -18.083 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.005 -4.928 -20.555 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.828 -5.828 -20.396 1.00 0.00 C ATOM 1408 C LYS A 85 -5.680 -5.041 -19.761 1.00 0.00 C ATOM 1409 O LYS A 85 -5.500 -3.868 -20.022 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.388 -6.363 -21.763 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.743 -5.353 -22.857 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.101 -5.785 -24.178 1.00 0.00 C ATOM 1413 CE LYS A 85 -7.169 -6.381 -25.098 1.00 0.00 C ATOM 1414 NZ LYS A 85 -7.648 -7.674 -24.531 1.00 0.00 N ATOM 0 H LYS A 85 -7.925 -4.236 -21.300 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.099 -6.669 -19.758 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.314 -6.549 -21.762 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.876 -7.317 -21.964 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.825 -5.289 -22.970 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.392 -4.360 -22.577 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.627 -4.930 -24.660 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.318 -6.519 -23.990 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.003 -5.687 -25.203 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.758 -6.539 -26.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.257 -8.153 -25.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.832 -8.280 -24.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.189 -7.493 -23.662 1.00 0.00 H new ATOM 1428 N THR A 86 -4.905 -5.675 -18.925 1.00 0.00 N ATOM 1429 CA THR A 86 -3.775 -4.958 -18.271 1.00 0.00 C ATOM 1430 C THR A 86 -2.666 -5.955 -17.929 1.00 0.00 C ATOM 1431 O THR A 86 -2.826 -7.151 -18.083 1.00 0.00 O ATOM 1432 CB THR A 86 -4.276 -4.291 -16.988 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.667 -4.026 -17.108 1.00 0.00 O ATOM 1434 CG2 THR A 86 -3.524 -2.980 -16.764 1.00 0.00 C ATOM 0 H THR A 86 -5.005 -6.657 -18.667 1.00 0.00 H new ATOM 0 HA THR A 86 -3.382 -4.200 -18.948 1.00 0.00 H new ATOM 0 HB THR A 86 -4.102 -4.955 -16.141 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.991 -3.600 -16.287 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.882 -2.507 -15.850 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.457 -3.184 -16.673 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.695 -2.313 -17.609 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.543 -5.476 -17.464 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.429 -6.399 -17.114 1.00 0.00 C ATOM 1444 C ARG A 87 -0.413 -6.624 -15.601 1.00 0.00 C ATOM 1445 O ARG A 87 -0.893 -5.809 -14.836 1.00 0.00 O ATOM 1446 CB ARG A 87 0.903 -5.784 -17.551 1.00 0.00 C ATOM 1447 CG ARG A 87 1.135 -6.072 -19.036 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.034 -5.519 -19.854 1.00 0.00 C ATOM 1449 NE ARG A 87 0.414 -5.264 -21.251 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.445 -4.870 -22.150 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.554 -4.287 -21.784 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.196 -5.060 -23.418 1.00 0.00 N ATOM 0 H ARG A 87 -1.351 -4.486 -17.312 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.573 -7.351 -17.624 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.894 -4.708 -17.375 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.719 -6.197 -16.958 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.069 -5.616 -19.364 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.230 -7.146 -19.198 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.862 -6.228 -19.850 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.402 -4.597 -19.405 1.00 0.00 H new ATOM 0 HE ARG A 87 1.393 -5.397 -21.505 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.750 -4.139 -20.794 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.225 -3.979 -22.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.670 -5.516 -23.705 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.867 -4.752 -24.121 1.00 0.00 H new ATOM 1466 N VAL A 88 0.141 -7.721 -15.163 1.00 0.00 N ATOM 1467 CA VAL A 88 0.187 -7.997 -13.701 1.00 0.00 C ATOM 1468 C VAL A 88 1.547 -7.568 -13.157 1.00 0.00 C ATOM 1469 O VAL A 88 2.577 -8.055 -13.578 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.010 -9.494 -13.457 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.298 -9.738 -11.975 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.188 -9.998 -14.295 1.00 0.00 C ATOM 0 H VAL A 88 0.563 -8.437 -15.754 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.604 -7.443 -13.196 1.00 0.00 H new ATOM 0 HB VAL A 88 0.895 -10.029 -13.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.438 -10.805 -11.802 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.541 -9.381 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.202 -9.202 -11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.328 -11.065 -14.121 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.093 -9.462 -14.010 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.982 -9.827 -15.352 1.00 0.00 H new ATOM 1482 N VAL A 89 1.559 -6.650 -12.232 1.00 0.00 N ATOM 1483 CA VAL A 89 2.853 -6.180 -11.675 1.00 0.00 C ATOM 1484 C VAL A 89 3.394 -7.205 -10.677 1.00 0.00 C ATOM 1485 O VAL A 89 4.589 -7.358 -10.520 1.00 0.00 O ATOM 1486 CB VAL A 89 2.652 -4.840 -10.972 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.983 -4.368 -10.384 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.148 -3.810 -11.982 1.00 0.00 C ATOM 0 H VAL A 89 0.729 -6.206 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 89 3.569 -6.060 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 89 1.922 -4.954 -10.171 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.840 -3.411 -9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.345 -5.104 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.714 -4.252 -11.184 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.003 -2.852 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.880 -3.696 -12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.201 -4.147 -12.403 1.00 0.00 H new ATOM 1498 N ARG A 90 2.526 -7.907 -9.998 1.00 0.00 N ATOM 1499 CA ARG A 90 2.998 -8.916 -9.010 1.00 0.00 C ATOM 1500 C ARG A 90 1.808 -9.416 -8.188 1.00 0.00 C ATOM 1501 O ARG A 90 1.288 -8.718 -7.339 1.00 0.00 O ATOM 1502 CB ARG A 90 4.031 -8.279 -8.078 1.00 0.00 C ATOM 1503 CG ARG A 90 4.275 -9.198 -6.879 1.00 0.00 C ATOM 1504 CD ARG A 90 5.637 -8.881 -6.260 1.00 0.00 C ATOM 1505 NE ARG A 90 6.605 -9.960 -6.605 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.309 -10.532 -5.666 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.754 -9.825 -4.663 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.570 -11.808 -5.732 1.00 0.00 N ATOM 0 H ARG A 90 1.513 -7.824 -10.086 1.00 0.00 H new ATOM 0 HA ARG A 90 3.456 -9.753 -9.537 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.964 -8.109 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.677 -7.306 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.487 -9.063 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.241 -10.241 -7.194 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.000 -7.921 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.545 -8.794 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 90 6.718 -10.252 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.552 -8.827 -4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.304 -10.271 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.224 -12.359 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.120 -12.255 -4.998 1.00 0.00 H new ATOM 1522 N ALA A 91 1.377 -10.622 -8.434 1.00 0.00 N ATOM 1523 CA ALA A 91 0.227 -11.175 -7.666 1.00 0.00 C ATOM 1524 C ALA A 91 0.749 -11.849 -6.395 1.00 0.00 C ATOM 1525 O ALA A 91 1.703 -12.600 -6.428 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.512 -12.204 -8.522 1.00 0.00 C ATOM 0 H ALA A 91 1.772 -11.249 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.457 -10.369 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.353 -12.608 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.879 -11.726 -9.430 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.169 -13.013 -8.788 1.00 0.00 H new ATOM 1532 N ASP A 92 0.133 -11.585 -5.274 1.00 0.00 N ATOM 1533 CA ASP A 92 0.601 -12.210 -4.006 1.00 0.00 C ATOM 1534 C ASP A 92 -0.458 -12.018 -2.918 1.00 0.00 C ATOM 1535 O ASP A 92 -0.426 -11.060 -2.172 1.00 0.00 O ATOM 1536 CB ASP A 92 1.910 -11.552 -3.566 1.00 0.00 C ATOM 1537 CG ASP A 92 2.940 -12.633 -3.235 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.074 -13.555 -4.021 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.578 -12.518 -2.201 1.00 0.00 O ATOM 0 H ASP A 92 -0.672 -10.965 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 92 0.765 -13.275 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.288 -10.905 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.737 -10.921 -2.694 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.393 -12.923 -2.819 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.449 -12.793 -1.775 1.00 0.00 C ATOM 1546 C GLY A 93 -3.697 -12.150 -2.383 1.00 0.00 C ATOM 1547 O GLY A 93 -3.750 -11.862 -3.562 1.00 0.00 O ATOM 0 H GLY A 93 -1.471 -13.747 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.695 -13.774 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.083 -12.187 -0.946 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.705 -11.926 -1.585 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.953 -11.305 -2.113 1.00 0.00 C ATOM 1553 C LEU A 94 -5.631 -9.939 -2.720 1.00 0.00 C ATOM 1554 O LEU A 94 -6.416 -9.378 -3.458 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.956 -11.129 -0.971 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.625 -12.470 -0.667 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.949 -13.114 0.543 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -9.106 -12.239 -0.361 1.00 0.00 C ATOM 0 H LEU A 94 -4.718 -12.146 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.381 -11.950 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.449 -10.754 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.708 -10.389 -1.245 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.529 -13.130 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.426 -14.070 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.893 -13.276 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.046 -12.456 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.586 -13.193 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.201 -11.580 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.588 -11.778 -1.223 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.485 -9.396 -2.413 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.124 -8.063 -2.973 1.00 0.00 C ATOM 1572 C TYR A 95 -3.022 -8.227 -4.022 1.00 0.00 C ATOM 1573 O TYR A 95 -1.999 -8.831 -3.774 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.622 -7.156 -1.848 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.678 -6.128 -1.524 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.746 -6.464 -0.682 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.590 -4.839 -2.065 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.727 -5.510 -0.381 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.572 -3.885 -1.766 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.640 -4.221 -0.923 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.606 -3.281 -0.627 1.00 0.00 O ATOM 0 H TYR A 95 -3.785 -9.816 -1.801 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.003 -7.617 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.393 -7.749 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.698 -6.662 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.813 -7.458 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.765 -4.580 -2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.550 -5.768 0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.506 -2.892 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.395 -2.440 -1.083 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.225 -7.688 -5.193 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.189 -7.809 -6.258 1.00 0.00 C ATOM 1593 C VAL A 96 -1.898 -6.425 -6.842 1.00 0.00 C ATOM 1594 O VAL A 96 -2.698 -5.518 -6.739 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.704 -8.727 -7.369 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.762 -8.651 -8.572 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.762 -10.168 -6.857 1.00 0.00 C ATOM 0 H VAL A 96 -4.062 -7.170 -5.458 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.277 -8.227 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.702 -8.408 -7.668 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.129 -9.305 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.722 -7.625 -8.938 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.763 -8.969 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.129 -10.821 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.764 -10.488 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.434 -10.223 -6.001 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.761 -6.256 -7.463 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.433 -4.929 -8.060 1.00 0.00 C ATOM 1609 C ASP A 97 -0.748 -4.972 -9.558 1.00 0.00 C ATOM 1610 O ASP A 97 -0.644 -6.005 -10.188 1.00 0.00 O ATOM 1611 CB ASP A 97 1.051 -4.623 -7.850 1.00 0.00 C ATOM 1612 CG ASP A 97 1.356 -3.214 -8.358 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.484 -2.366 -8.256 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.456 -3.003 -8.841 1.00 0.00 O ATOM 0 H ASP A 97 -0.048 -6.976 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.025 -4.149 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.304 -4.703 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.663 -5.353 -8.380 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.153 -3.871 -10.132 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.496 -3.883 -11.583 1.00 0.00 C ATOM 1621 C LEU A 98 -0.850 -2.703 -12.311 1.00 0.00 C ATOM 1622 O LEU A 98 -0.881 -1.573 -11.853 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.015 -3.792 -11.738 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.508 -4.894 -12.677 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.050 -4.589 -14.104 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.933 -6.241 -12.234 1.00 0.00 C ATOM 0 H LEU A 98 -1.261 -2.971 -9.664 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.120 -4.808 -12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.495 -3.890 -10.764 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.291 -2.814 -12.133 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.597 -4.937 -12.645 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.401 -5.374 -14.774 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.461 -3.631 -14.421 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.961 -4.545 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.285 -7.025 -12.904 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.844 -6.200 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.259 -6.459 -11.217 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.282 -2.967 -13.460 1.00 0.00 N ATOM 1639 CA ARG A 99 0.357 -1.885 -14.259 1.00 0.00 C ATOM 1640 C ARG A 99 -0.113 -2.004 -15.712 1.00 0.00 C ATOM 1641 O ARG A 99 -0.064 -3.065 -16.306 1.00 0.00 O ATOM 1642 CB ARG A 99 1.880 -2.035 -14.201 1.00 0.00 C ATOM 1643 CG ARG A 99 2.531 -1.054 -15.178 1.00 0.00 C ATOM 1644 CD ARG A 99 4.010 -1.409 -15.348 1.00 0.00 C ATOM 1645 NE ARG A 99 4.228 -1.999 -16.698 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.524 -3.264 -16.819 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.580 -4.164 -16.763 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.764 -3.630 -16.997 1.00 0.00 N ATOM 0 H ARG A 99 -0.235 -3.895 -13.880 1.00 0.00 H new ATOM 0 HA ARG A 99 0.078 -0.912 -13.855 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.236 -1.845 -13.188 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.165 -3.057 -14.452 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.023 -1.093 -16.142 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.431 -0.034 -14.807 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.625 -0.518 -15.226 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.316 -2.116 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 99 4.146 -1.413 -17.529 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.611 -3.878 -16.625 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.812 -5.153 -16.858 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.502 -2.927 -17.042 1.00 0.00 H new ATOM 0 HH22 ARG A 99 5.995 -4.619 -17.092 1.00 0.00 H new ATOM 1662 N ARG A 100 -0.580 -0.930 -16.290 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.056 -0.997 -17.700 1.00 0.00 C ATOM 1664 C ARG A 100 0.017 -0.438 -18.634 1.00 0.00 C ATOM 1665 O ARG A 100 0.778 0.438 -18.271 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.337 -0.174 -17.849 1.00 0.00 C ATOM 1667 CG ARG A 100 -2.728 -0.107 -19.328 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.243 -0.262 -19.467 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.739 0.645 -20.540 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.108 0.152 -21.691 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -4.521 -0.913 -22.163 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -6.065 0.725 -22.370 1.00 0.00 N ATOM 0 H ARG A 100 -0.652 -0.013 -15.848 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.258 -2.036 -17.961 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.142 -0.625 -17.269 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.185 0.831 -17.456 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.409 0.843 -19.756 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.219 -0.894 -19.885 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.493 -1.296 -19.706 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.732 -0.026 -18.522 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.790 1.650 -20.375 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.774 -1.361 -21.633 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.810 -1.298 -23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.524 1.558 -22.001 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -6.353 0.340 -23.269 1.00 0.00 H new ATOM 1686 N PHE A 101 0.083 -0.938 -19.838 1.00 0.00 N ATOM 1687 CA PHE A 101 1.103 -0.437 -20.801 1.00 0.00 C ATOM 1688 C PHE A 101 0.498 -0.398 -22.205 1.00 0.00 C ATOM 1689 O PHE A 101 -0.338 -1.208 -22.553 1.00 0.00 O ATOM 1690 CB PHE A 101 2.314 -1.371 -20.792 1.00 0.00 C ATOM 1691 CG PHE A 101 3.581 -0.551 -20.831 1.00 0.00 C ATOM 1692 CD1 PHE A 101 3.926 0.256 -19.739 1.00 0.00 C ATOM 1693 CD2 PHE A 101 4.412 -0.597 -21.959 1.00 0.00 C ATOM 1694 CE1 PHE A 101 5.101 1.018 -19.774 1.00 0.00 C ATOM 1695 CE2 PHE A 101 5.587 0.165 -21.994 1.00 0.00 C ATOM 1696 CZ PHE A 101 5.932 0.973 -20.901 1.00 0.00 C ATOM 0 H PHE A 101 -0.527 -1.673 -20.196 1.00 0.00 H new ATOM 0 HA PHE A 101 1.417 0.566 -20.512 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.299 -1.995 -19.898 1.00 0.00 H new ATOM 0 HB3 PHE A 101 2.276 -2.042 -21.650 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.286 0.291 -18.870 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.147 -1.220 -22.801 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.366 1.640 -18.932 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.227 0.130 -22.863 1.00 0.00 H new ATOM 0 HZ PHE A 101 6.838 1.560 -20.928 1.00 0.00 H new ATOM 1706 N PHE A 102 0.913 0.537 -23.014 1.00 0.00 N ATOM 1707 CA PHE A 102 0.359 0.626 -24.395 1.00 0.00 C ATOM 1708 C PHE A 102 1.453 0.277 -25.406 1.00 0.00 C ATOM 1709 O PHE A 102 2.603 0.202 -25.003 1.00 0.00 O ATOM 1710 CB PHE A 102 -0.140 2.049 -24.654 1.00 0.00 C ATOM 1711 CG PHE A 102 -1.409 1.999 -25.471 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -1.341 1.873 -26.864 1.00 0.00 C ATOM 1713 CD2 PHE A 102 -2.656 2.079 -24.836 1.00 0.00 C ATOM 1714 CE1 PHE A 102 -2.518 1.827 -27.623 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -3.834 2.034 -25.594 1.00 0.00 C ATOM 1716 CZ PHE A 102 -3.764 1.908 -26.989 1.00 0.00 C ATOM 1717 OXT PHE A 102 1.123 0.091 -26.566 1.00 0.00 O ATOM 0 H PHE A 102 1.611 1.243 -22.779 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.470 -0.074 -24.500 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.324 2.559 -23.708 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.622 2.622 -25.182 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.380 1.811 -27.354 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.709 2.175 -23.762 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.464 1.729 -28.697 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -4.795 2.096 -25.104 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.671 1.873 -27.574 1.00 0.00 H new TER 1727 PHE A 102