USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 968 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 68 LYS NZ :NH3+ -152:sc= 0.127 (180deg=-1.55!) USER MOD Set 1.2: A 120 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 MET CE :methyl 162:sc= -0.0187 (180deg=-0.61) USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.152 X(o=-0.17,f=-0.51) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 157:sc= -0.817 (180deg=-2.13) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 160:sc= -1.05 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -88:sc= -0.0879 USER MOD Single : A 18 SER OG : rot 136:sc= 1.17 USER MOD Single : A 26 TYR OH : rot 100:sc= -0.66 USER MOD Single : A 27 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.28) USER MOD Single : A 30 THR OG1 : rot -8:sc= 0.577 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.08) USER MOD Single : A 33 THR OG1 : rot -101:sc= 0.301 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.04 (180deg=1.02) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.013) USER MOD Single : A 70 ASN :FLIP amide:sc= -4.24! C(o=-7.4!,f=-4.2!) USER MOD Single : A 71 SER OG : rot -18:sc= 0.262 USER MOD Single : A 74 SER OG : rot 136:sc= -0.326 USER MOD Single : A 80 THR OG1 : rot -80:sc= -2.18! USER MOD Single : A 84 SER OG : rot -59:sc= 0.575 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= 0.727 (180deg=-0.247) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -130:sc= -0.0223 (180deg=-1.37!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -99:sc= -0.302 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -4.11 X(o=-4.1,f=-4.1) USER MOD Single : A 121 SER OG : rot -117:sc= 0.54 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.075 -0.789 17.521 1.00 0.00 N ATOM 2 CA MET A 1 -1.161 -1.097 16.552 1.00 0.00 C ATOM 3 C MET A 1 -0.596 -1.367 15.161 1.00 0.00 C ATOM 4 O MET A 1 -0.617 -2.501 14.681 1.00 0.00 O ATOM 5 CB MET A 1 -2.128 0.089 16.512 1.00 0.00 C ATOM 6 CG MET A 1 -3.590 -0.315 16.607 1.00 0.00 C ATOM 7 SD MET A 1 -4.249 -0.147 18.277 1.00 0.00 S ATOM 8 CE MET A 1 -4.664 -1.849 18.649 1.00 0.00 C ATOM 0 H1 MET A 1 -0.487 -0.609 18.459 1.00 0.00 H new ATOM 0 H2 MET A 1 0.578 -1.596 17.579 1.00 0.00 H new ATOM 0 H3 MET A 1 0.444 0.054 17.204 1.00 0.00 H new ATOM 0 HA MET A 1 -1.685 -1.997 16.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.893 0.767 17.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.972 0.643 15.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.178 0.299 15.925 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.699 -1.349 16.280 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.085 -1.910 19.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.395 -2.212 17.926 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.765 -2.463 18.595 1.00 0.00 H new ATOM 20 N LYS A 2 -0.089 -0.319 14.520 1.00 0.00 N ATOM 21 CA LYS A 2 0.485 -0.445 13.185 1.00 0.00 C ATOM 22 C LYS A 2 -0.557 -0.941 12.188 1.00 0.00 C ATOM 23 O LYS A 2 -0.736 -2.146 12.012 1.00 0.00 O ATOM 24 CB LYS A 2 1.680 -1.398 13.208 1.00 0.00 C ATOM 25 CG LYS A 2 2.635 -1.152 14.363 1.00 0.00 C ATOM 26 CD LYS A 2 3.640 -0.061 14.033 1.00 0.00 C ATOM 27 CE LYS A 2 4.974 -0.306 14.721 1.00 0.00 C ATOM 28 NZ LYS A 2 5.983 0.728 14.360 1.00 0.00 N ATOM 0 H LYS A 2 -0.064 0.626 14.903 1.00 0.00 H new ATOM 0 HA LYS A 2 0.823 0.542 12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.315 -2.423 13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.227 -1.304 12.270 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.069 -0.870 15.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.164 -2.075 14.602 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.789 -0.016 12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.243 0.906 14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.830 -0.311 15.801 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.349 -1.291 14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.712 0.775 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.426 0.479 13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.516 1.653 14.275 1.00 0.00 H new ATOM 42 N ARG A 3 -1.240 -0.006 11.536 1.00 0.00 N ATOM 43 CA ARG A 3 -2.263 -0.350 10.555 1.00 0.00 C ATOM 44 C ARG A 3 -1.818 0.037 9.147 1.00 0.00 C ATOM 45 O ARG A 3 -1.284 1.125 8.932 1.00 0.00 O ATOM 46 CB ARG A 3 -3.588 0.318 10.917 1.00 0.00 C ATOM 47 CG ARG A 3 -3.581 1.819 10.753 1.00 0.00 C ATOM 48 CD ARG A 3 -2.965 2.513 11.957 1.00 0.00 C ATOM 49 NE ARG A 3 -3.677 3.740 12.308 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.162 4.706 13.066 1.00 0.00 C ATOM 51 NH1 ARG A 3 -1.932 4.593 13.552 1.00 0.00 N ATOM 52 NH2 ARG A 3 -3.879 5.788 13.337 1.00 0.00 N ATOM 0 H ARG A 3 -1.104 0.996 11.669 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.409 -1.430 10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.378 -0.102 10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.835 0.076 11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.023 2.084 9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.602 2.174 10.611 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.972 1.834 12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.922 2.748 11.745 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.625 3.864 11.951 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.376 3.763 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.543 5.336 14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.824 5.880 12.965 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.485 6.528 13.918 1.00 0.00 H new ATOM 66 N VAL A 4 -2.023 -0.867 8.192 1.00 0.00 N ATOM 67 CA VAL A 4 -1.623 -0.622 6.810 1.00 0.00 C ATOM 68 C VAL A 4 -2.788 -0.830 5.848 1.00 0.00 C ATOM 69 O VAL A 4 -3.714 -1.589 6.131 1.00 0.00 O ATOM 70 CB VAL A 4 -0.464 -1.549 6.398 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.065 -1.175 5.021 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.649 -1.504 7.435 1.00 0.00 C ATOM 0 H VAL A 4 -2.463 -1.774 8.350 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.296 0.416 6.754 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.844 -2.569 6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.883 -1.843 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.735 -1.266 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.427 -0.147 5.037 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.460 -2.165 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.025 -0.485 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.261 -1.830 8.400 1.00 0.00 H new ATOM 82 N LEU A 5 -2.732 -0.157 4.703 1.00 0.00 N ATOM 83 CA LEU A 5 -3.780 -0.280 3.699 1.00 0.00 C ATOM 84 C LEU A 5 -3.302 -1.118 2.522 1.00 0.00 C ATOM 85 O LEU A 5 -2.249 -0.852 1.943 1.00 0.00 O ATOM 86 CB LEU A 5 -4.228 1.097 3.202 1.00 0.00 C ATOM 87 CG LEU A 5 -5.476 1.077 2.318 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.643 0.456 3.069 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.830 2.481 1.846 1.00 0.00 C ATOM 0 H LEU A 5 -1.974 0.477 4.449 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.630 -0.777 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.419 1.736 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.410 1.552 2.643 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.264 0.469 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.525 0.448 2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.391 -0.566 3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.851 1.040 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.721 2.440 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.023 3.117 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.000 2.892 1.271 1.00 0.00 H new ATOM 101 N VAL A 6 -4.085 -2.129 2.169 1.00 0.00 N ATOM 102 CA VAL A 6 -3.742 -3.003 1.054 1.00 0.00 C ATOM 103 C VAL A 6 -4.646 -2.735 -0.140 1.00 0.00 C ATOM 104 O VAL A 6 -5.707 -3.345 -0.278 1.00 0.00 O ATOM 105 CB VAL A 6 -3.846 -4.489 1.446 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.397 -5.378 0.297 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.026 -4.768 2.696 1.00 0.00 C ATOM 0 H VAL A 6 -4.960 -2.364 2.637 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.709 -2.785 0.784 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.890 -4.716 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.478 -6.424 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.030 -5.197 -0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.361 -5.151 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.111 -5.822 2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.981 -4.524 2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.398 -4.158 3.519 1.00 0.00 H new ATOM 117 N VAL A 7 -4.221 -1.819 -1.001 1.00 0.00 N ATOM 118 CA VAL A 7 -4.992 -1.469 -2.183 1.00 0.00 C ATOM 119 C VAL A 7 -4.690 -2.427 -3.330 1.00 0.00 C ATOM 120 O VAL A 7 -3.625 -2.359 -3.944 1.00 0.00 O ATOM 121 CB VAL A 7 -4.704 -0.025 -2.642 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.757 0.441 -3.632 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.635 0.917 -1.447 1.00 0.00 C ATOM 0 H VAL A 7 -3.345 -1.306 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.045 -1.546 -1.910 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.735 -0.012 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.537 1.462 -3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.752 -0.214 -4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.739 0.410 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.431 1.930 -1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.586 0.900 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.838 0.596 -0.776 1.00 0.00 H new ATOM 133 N ASP A 8 -5.630 -3.322 -3.610 1.00 0.00 N ATOM 134 CA ASP A 8 -5.459 -4.297 -4.681 1.00 0.00 C ATOM 135 C ASP A 8 -6.747 -4.464 -5.480 1.00 0.00 C ATOM 136 O ASP A 8 -7.844 -4.428 -4.923 1.00 0.00 O ATOM 137 CB ASP A 8 -5.023 -5.645 -4.104 1.00 0.00 C ATOM 138 CG ASP A 8 -4.766 -6.682 -5.181 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.343 -6.293 -6.290 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.987 -7.881 -4.914 1.00 0.00 O ATOM 0 H ASP A 8 -6.517 -3.393 -3.111 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.684 -3.928 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.118 -5.508 -3.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.793 -6.013 -3.426 1.00 0.00 H new ATOM 145 N ASP A 9 -6.605 -4.647 -6.789 1.00 0.00 N ATOM 146 CA ASP A 9 -7.757 -4.820 -7.665 1.00 0.00 C ATOM 147 C ASP A 9 -8.100 -6.300 -7.825 1.00 0.00 C ATOM 148 O ASP A 9 -8.265 -6.793 -8.941 1.00 0.00 O ATOM 149 CB ASP A 9 -7.480 -4.191 -9.034 1.00 0.00 C ATOM 150 CG ASP A 9 -8.669 -4.293 -9.970 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.775 -3.866 -9.575 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.495 -4.799 -11.098 1.00 0.00 O ATOM 0 H ASP A 9 -5.704 -4.679 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.611 -4.317 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.215 -3.142 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.620 -4.682 -9.489 1.00 0.00 H new ATOM 157 N GLU A 10 -8.206 -7.002 -6.700 1.00 0.00 N ATOM 158 CA GLU A 10 -8.529 -8.425 -6.713 1.00 0.00 C ATOM 159 C GLU A 10 -8.615 -8.976 -5.294 1.00 0.00 C ATOM 160 O GLU A 10 -8.555 -8.225 -4.320 1.00 0.00 O ATOM 161 CB GLU A 10 -7.480 -9.202 -7.511 1.00 0.00 C ATOM 162 CG GLU A 10 -8.057 -10.357 -8.315 1.00 0.00 C ATOM 163 CD GLU A 10 -8.138 -10.053 -9.798 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.572 -8.938 -10.154 1.00 0.00 O ATOM 165 OE2 GLU A 10 -7.768 -10.932 -10.605 1.00 0.00 O ATOM 0 H GLU A 10 -8.073 -6.608 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.501 -8.546 -7.191 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.971 -8.517 -8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.727 -9.589 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.442 -11.244 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.053 -10.593 -7.941 1.00 0.00 H new ATOM 172 N GLU A 11 -8.755 -10.294 -5.184 1.00 0.00 N ATOM 173 CA GLU A 11 -8.848 -10.949 -3.884 1.00 0.00 C ATOM 174 C GLU A 11 -7.839 -12.087 -3.776 1.00 0.00 C ATOM 175 O GLU A 11 -8.144 -13.152 -3.239 1.00 0.00 O ATOM 176 CB GLU A 11 -10.264 -11.483 -3.660 1.00 0.00 C ATOM 177 CG GLU A 11 -11.217 -10.456 -3.070 1.00 0.00 C ATOM 178 CD GLU A 11 -11.945 -9.658 -4.133 1.00 0.00 C ATOM 179 OE1 GLU A 11 -12.481 -10.275 -5.077 1.00 0.00 O ATOM 180 OE2 GLU A 11 -11.980 -8.414 -4.021 1.00 0.00 O ATOM 0 H GLU A 11 -8.807 -10.929 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.620 -10.211 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.665 -11.834 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.217 -12.346 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.946 -10.963 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.659 -9.775 -2.428 1.00 0.00 H new ATOM 187 N SER A 12 -6.635 -11.855 -4.288 1.00 0.00 N ATOM 188 CA SER A 12 -5.581 -12.862 -4.249 1.00 0.00 C ATOM 189 C SER A 12 -4.599 -12.577 -3.117 1.00 0.00 C ATOM 190 O SER A 12 -4.172 -13.489 -2.408 1.00 0.00 O ATOM 191 CB SER A 12 -4.840 -12.905 -5.586 1.00 0.00 C ATOM 192 OG SER A 12 -5.749 -12.961 -6.672 1.00 0.00 O ATOM 0 H SER A 12 -6.365 -10.979 -4.735 1.00 0.00 H new ATOM 0 HA SER A 12 -6.044 -13.832 -4.067 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.207 -12.023 -5.683 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.182 -13.774 -5.613 1.00 0.00 H new ATOM 0 HG SER A 12 -5.250 -12.986 -7.515 1.00 0.00 H new ATOM 198 N ILE A 13 -4.245 -11.307 -2.953 1.00 0.00 N ATOM 199 CA ILE A 13 -3.314 -10.902 -1.907 1.00 0.00 C ATOM 200 C ILE A 13 -4.058 -10.355 -0.693 1.00 0.00 C ATOM 201 O ILE A 13 -3.692 -10.634 0.450 1.00 0.00 O ATOM 202 CB ILE A 13 -2.330 -9.830 -2.416 1.00 0.00 C ATOM 203 CG1 ILE A 13 -1.598 -10.328 -3.663 1.00 0.00 C ATOM 204 CG2 ILE A 13 -1.337 -9.457 -1.324 1.00 0.00 C ATOM 205 CD1 ILE A 13 -0.701 -11.519 -3.403 1.00 0.00 C ATOM 0 H ILE A 13 -4.589 -10.540 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.754 -11.792 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.896 -8.938 -2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.332 -10.596 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.999 -9.514 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.650 -8.699 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.875 -9.063 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.774 -10.342 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.214 -11.818 -4.332 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.056 -11.250 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.298 -12.348 -3.023 1.00 0.00 H new ATOM 217 N THR A 14 -5.101 -9.573 -0.948 1.00 0.00 N ATOM 218 CA THR A 14 -5.899 -8.978 0.121 1.00 0.00 C ATOM 219 C THR A 14 -6.273 -10.012 1.179 1.00 0.00 C ATOM 220 O THR A 14 -6.450 -9.677 2.348 1.00 0.00 O ATOM 221 CB THR A 14 -7.166 -8.343 -0.452 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.884 -9.278 -1.238 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.892 -7.132 -1.315 1.00 0.00 C ATOM 0 H THR A 14 -5.416 -9.335 -1.889 1.00 0.00 H new ATOM 0 HA THR A 14 -5.292 -8.208 0.597 1.00 0.00 H new ATOM 0 HB THR A 14 -7.747 -8.026 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.814 -8.984 -1.328 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.834 -6.731 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.383 -6.371 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.261 -7.420 -2.156 1.00 0.00 H new ATOM 231 N SER A 15 -6.401 -11.267 0.763 1.00 0.00 N ATOM 232 CA SER A 15 -6.762 -12.340 1.683 1.00 0.00 C ATOM 233 C SER A 15 -5.528 -12.920 2.368 1.00 0.00 C ATOM 234 O SER A 15 -5.522 -13.133 3.580 1.00 0.00 O ATOM 235 CB SER A 15 -7.515 -13.444 0.938 1.00 0.00 C ATOM 236 OG SER A 15 -8.917 -13.267 1.042 1.00 0.00 O ATOM 0 H SER A 15 -6.261 -11.566 -0.202 1.00 0.00 H new ATOM 0 HA SER A 15 -7.410 -11.919 2.452 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.222 -13.443 -0.112 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.237 -14.416 1.345 1.00 0.00 H new ATOM 0 HG SER A 15 -9.374 -13.985 0.556 1.00 0.00 H new ATOM 242 N SER A 16 -4.486 -13.182 1.585 1.00 0.00 N ATOM 243 CA SER A 16 -3.250 -13.745 2.118 1.00 0.00 C ATOM 244 C SER A 16 -2.461 -12.701 2.907 1.00 0.00 C ATOM 245 O SER A 16 -2.334 -12.797 4.127 1.00 0.00 O ATOM 246 CB SER A 16 -2.388 -14.298 0.983 1.00 0.00 C ATOM 247 OG SER A 16 -2.568 -13.549 -0.207 1.00 0.00 O ATOM 0 H SER A 16 -4.473 -13.013 0.579 1.00 0.00 H new ATOM 0 HA SER A 16 -3.517 -14.556 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.338 -14.275 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.646 -15.342 0.802 1.00 0.00 H new ATOM 0 HG SER A 16 -3.313 -13.925 -0.720 1.00 0.00 H new ATOM 253 N LEU A 17 -1.933 -11.709 2.196 1.00 0.00 N ATOM 254 CA LEU A 17 -1.150 -10.641 2.817 1.00 0.00 C ATOM 255 C LEU A 17 -1.823 -10.125 4.087 1.00 0.00 C ATOM 256 O LEU A 17 -1.162 -9.906 5.102 1.00 0.00 O ATOM 257 CB LEU A 17 -0.945 -9.499 1.809 1.00 0.00 C ATOM 258 CG LEU A 17 -0.369 -8.191 2.367 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.485 -7.283 2.858 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.645 -8.458 3.474 1.00 0.00 C ATOM 0 H LEU A 17 -2.033 -11.621 1.185 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.179 -11.045 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.282 -9.855 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.905 -9.278 1.343 1.00 0.00 H new ATOM 0 HG LEU A 17 0.156 -7.683 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.057 -6.360 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.155 -7.049 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.044 -7.787 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.034 -7.511 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.161 -8.998 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.466 -9.057 3.079 1.00 0.00 H new ATOM 272 N SER A 18 -3.140 -9.943 4.031 1.00 0.00 N ATOM 273 CA SER A 18 -3.886 -9.463 5.190 1.00 0.00 C ATOM 274 C SER A 18 -3.673 -10.390 6.381 1.00 0.00 C ATOM 275 O SER A 18 -3.443 -9.936 7.502 1.00 0.00 O ATOM 276 CB SER A 18 -5.377 -9.365 4.866 1.00 0.00 C ATOM 277 OG SER A 18 -5.657 -8.197 4.112 1.00 0.00 O ATOM 0 H SER A 18 -3.708 -10.119 3.203 1.00 0.00 H new ATOM 0 HA SER A 18 -3.517 -8.470 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.690 -10.247 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.954 -9.352 5.791 1.00 0.00 H new ATOM 0 HG SER A 18 -6.266 -8.420 3.377 1.00 0.00 H new ATOM 283 N ALA A 19 -3.737 -11.694 6.125 1.00 0.00 N ATOM 284 CA ALA A 19 -3.538 -12.688 7.171 1.00 0.00 C ATOM 285 C ALA A 19 -2.168 -12.517 7.813 1.00 0.00 C ATOM 286 O ALA A 19 -2.012 -12.658 9.025 1.00 0.00 O ATOM 287 CB ALA A 19 -3.680 -14.089 6.600 1.00 0.00 C ATOM 0 H ALA A 19 -3.925 -12.085 5.202 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.300 -12.543 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.529 -14.822 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.678 -14.211 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.935 -14.241 5.819 1.00 0.00 H new ATOM 293 N ILE A 20 -1.179 -12.203 6.985 1.00 0.00 N ATOM 294 CA ILE A 20 0.182 -11.999 7.461 1.00 0.00 C ATOM 295 C ILE A 20 0.230 -10.862 8.479 1.00 0.00 C ATOM 296 O ILE A 20 0.664 -11.052 9.616 1.00 0.00 O ATOM 297 CB ILE A 20 1.148 -11.707 6.285 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.678 -13.014 5.702 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.302 -10.814 6.727 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.635 -13.061 4.191 1.00 0.00 C ATOM 0 H ILE A 20 -1.295 -12.084 5.979 1.00 0.00 H new ATOM 0 HA ILE A 20 0.507 -12.919 7.947 1.00 0.00 H new ATOM 0 HB ILE A 20 0.591 -11.175 5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.706 -13.160 6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.094 -13.844 6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.962 -10.627 5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.908 -9.867 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.861 -11.309 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.026 -14.018 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.605 -12.947 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.242 -12.252 3.784 1.00 0.00 H new ATOM 312 N LEU A 21 -0.222 -9.682 8.070 1.00 0.00 N ATOM 313 CA LEU A 21 -0.235 -8.524 8.955 1.00 0.00 C ATOM 314 C LEU A 21 -0.891 -8.872 10.287 1.00 0.00 C ATOM 315 O LEU A 21 -0.506 -8.354 11.336 1.00 0.00 O ATOM 316 CB LEU A 21 -0.981 -7.379 8.288 1.00 0.00 C ATOM 317 CG LEU A 21 -0.381 -6.926 6.961 1.00 0.00 C ATOM 318 CD1 LEU A 21 -1.459 -6.832 5.898 1.00 0.00 C ATOM 319 CD2 LEU A 21 0.336 -5.596 7.129 1.00 0.00 C ATOM 0 H LEU A 21 -0.583 -9.502 7.133 1.00 0.00 H new ATOM 0 HA LEU A 21 0.793 -8.220 9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.014 -7.683 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.005 -6.530 8.971 1.00 0.00 H new ATOM 0 HG LEU A 21 0.351 -7.666 6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.015 -6.508 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.923 -7.809 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.215 -6.112 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.758 -5.287 6.173 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.372 -4.842 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.136 -5.704 7.861 1.00 0.00 H new ATOM 331 N GLU A 22 -1.881 -9.759 10.235 1.00 0.00 N ATOM 332 CA GLU A 22 -2.587 -10.186 11.436 1.00 0.00 C ATOM 333 C GLU A 22 -1.664 -10.984 12.352 1.00 0.00 C ATOM 334 O GLU A 22 -1.877 -11.042 13.563 1.00 0.00 O ATOM 335 CB GLU A 22 -3.811 -11.024 11.069 1.00 0.00 C ATOM 336 CG GLU A 22 -4.955 -10.210 10.488 1.00 0.00 C ATOM 337 CD GLU A 22 -6.173 -11.057 10.176 1.00 0.00 C ATOM 338 OE1 GLU A 22 -7.029 -11.218 11.071 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.270 -11.561 9.037 1.00 0.00 O ATOM 0 H GLU A 22 -2.211 -10.195 9.374 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.918 -9.294 11.968 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.516 -11.786 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.163 -11.546 11.959 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.233 -9.426 11.193 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.618 -9.715 9.577 1.00 0.00 H new ATOM 346 N GLU A 23 -0.629 -11.589 11.770 1.00 0.00 N ATOM 347 CA GLU A 23 0.325 -12.366 12.540 1.00 0.00 C ATOM 348 C GLU A 23 1.298 -11.434 13.248 1.00 0.00 C ATOM 349 O GLU A 23 1.711 -11.690 14.380 1.00 0.00 O ATOM 350 CB GLU A 23 1.077 -13.336 11.623 1.00 0.00 C ATOM 351 CG GLU A 23 2.325 -13.933 12.251 1.00 0.00 C ATOM 352 CD GLU A 23 2.442 -15.425 12.014 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.991 -15.818 10.963 1.00 0.00 O ATOM 354 OE2 GLU A 23 1.987 -16.202 12.880 1.00 0.00 O ATOM 0 H GLU A 23 -0.435 -11.553 10.769 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.210 -12.948 13.291 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.405 -14.144 11.335 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.357 -12.813 10.708 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.205 -13.435 11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.315 -13.739 13.324 1.00 0.00 H new ATOM 361 N GLU A 24 1.655 -10.346 12.574 1.00 0.00 N ATOM 362 CA GLU A 24 2.575 -9.368 13.139 1.00 0.00 C ATOM 363 C GLU A 24 1.866 -8.460 14.145 1.00 0.00 C ATOM 364 O GLU A 24 2.511 -7.816 14.973 1.00 0.00 O ATOM 365 CB GLU A 24 3.209 -8.529 12.034 1.00 0.00 C ATOM 366 CG GLU A 24 4.716 -8.701 11.930 1.00 0.00 C ATOM 367 CD GLU A 24 5.118 -10.113 11.548 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.266 -11.021 11.646 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.286 -10.310 11.151 1.00 0.00 O ATOM 0 H GLU A 24 1.321 -10.120 11.637 1.00 0.00 H new ATOM 0 HA GLU A 24 3.359 -9.913 13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.754 -8.796 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.983 -7.478 12.212 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.107 -8.003 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.174 -8.443 12.885 1.00 0.00 H new ATOM 376 N GLY A 25 0.538 -8.410 14.067 1.00 0.00 N ATOM 377 CA GLY A 25 -0.228 -7.576 14.973 1.00 0.00 C ATOM 378 C GLY A 25 -0.482 -6.195 14.403 1.00 0.00 C ATOM 379 O GLY A 25 -0.183 -5.186 15.041 1.00 0.00 O ATOM 0 H GLY A 25 -0.020 -8.933 13.392 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.181 -8.058 15.190 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.306 -7.484 15.919 1.00 0.00 H new ATOM 383 N TYR A 26 -1.027 -6.154 13.192 1.00 0.00 N ATOM 384 CA TYR A 26 -1.314 -4.892 12.521 1.00 0.00 C ATOM 385 C TYR A 26 -2.819 -4.668 12.388 1.00 0.00 C ATOM 386 O TYR A 26 -3.621 -5.424 12.937 1.00 0.00 O ATOM 387 CB TYR A 26 -0.666 -4.881 11.135 1.00 0.00 C ATOM 388 CG TYR A 26 0.818 -4.591 11.154 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.669 -5.270 12.015 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.366 -3.639 10.306 1.00 0.00 C ATOM 391 CE1 TYR A 26 3.026 -5.007 12.032 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.721 -3.370 10.315 1.00 0.00 C ATOM 393 CZ TYR A 26 3.546 -4.057 11.179 1.00 0.00 C ATOM 394 OH TYR A 26 4.897 -3.793 11.191 1.00 0.00 O ATOM 0 H TYR A 26 -1.279 -6.983 12.654 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.900 -4.085 13.125 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.831 -5.848 10.660 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.164 -4.133 10.518 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.264 -6.016 12.683 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.722 -3.099 9.627 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.675 -5.542 12.709 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.131 -2.626 9.649 1.00 0.00 H new ATOM 0 HH TYR A 26 5.328 -4.261 10.446 1.00 0.00 H new ATOM 404 N HIS A 27 -3.190 -3.627 11.650 1.00 0.00 N ATOM 405 CA HIS A 27 -4.593 -3.294 11.432 1.00 0.00 C ATOM 406 C HIS A 27 -4.866 -3.055 9.947 1.00 0.00 C ATOM 407 O HIS A 27 -5.130 -1.931 9.523 1.00 0.00 O ATOM 408 CB HIS A 27 -4.970 -2.052 12.244 1.00 0.00 C ATOM 409 CG HIS A 27 -6.043 -2.303 13.258 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.197 -3.003 12.978 1.00 0.00 N ATOM 411 CD2 HIS A 27 -6.133 -1.940 14.560 1.00 0.00 C ATOM 412 CE1 HIS A 27 -7.951 -3.060 14.062 1.00 0.00 C ATOM 413 NE2 HIS A 27 -7.327 -2.422 15.036 1.00 0.00 N ATOM 0 H HIS A 27 -2.534 -2.996 11.190 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.203 -4.134 11.763 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.082 -1.677 12.752 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.302 -1.269 11.562 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.401 -1.376 15.120 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.913 -3.545 14.138 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.676 -2.306 15.987 1.00 0.00 H new ATOM 422 N PRO A 28 -4.809 -4.119 9.137 1.00 0.00 N ATOM 423 CA PRO A 28 -5.052 -4.028 7.695 1.00 0.00 C ATOM 424 C PRO A 28 -6.470 -3.565 7.385 1.00 0.00 C ATOM 425 O PRO A 28 -7.415 -3.921 8.088 1.00 0.00 O ATOM 426 CB PRO A 28 -4.837 -5.459 7.192 1.00 0.00 C ATOM 427 CG PRO A 28 -4.100 -6.159 8.284 1.00 0.00 C ATOM 428 CD PRO A 28 -4.506 -5.489 9.563 1.00 0.00 C ATOM 0 HA PRO A 28 -4.395 -3.300 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.788 -5.949 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.265 -5.467 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.350 -7.220 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.023 -6.089 8.133 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.373 -5.972 10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.706 -5.514 10.303 1.00 0.00 H new ATOM 436 N ASP A 29 -6.617 -2.760 6.336 1.00 0.00 N ATOM 437 CA ASP A 29 -7.940 -2.257 5.967 1.00 0.00 C ATOM 438 C ASP A 29 -8.307 -2.523 4.519 1.00 0.00 C ATOM 439 O ASP A 29 -9.452 -2.327 4.119 1.00 0.00 O ATOM 440 CB ASP A 29 -8.060 -0.767 6.280 1.00 0.00 C ATOM 441 CG ASP A 29 -9.503 -0.321 6.421 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.057 -0.447 7.533 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.077 0.154 5.419 1.00 0.00 O ATOM 0 H ASP A 29 -5.854 -2.446 5.736 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.653 -2.814 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.523 -0.548 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.580 -0.192 5.488 1.00 0.00 H new ATOM 448 N THR A 30 -7.344 -2.986 3.758 1.00 0.00 N ATOM 449 CA THR A 30 -7.530 -3.311 2.338 1.00 0.00 C ATOM 450 C THR A 30 -8.371 -2.280 1.581 1.00 0.00 C ATOM 451 O THR A 30 -9.068 -1.456 2.169 1.00 0.00 O ATOM 452 CB THR A 30 -8.162 -4.691 2.182 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.514 -4.676 2.603 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.446 -5.771 2.965 1.00 0.00 C ATOM 0 H THR A 30 -6.397 -3.154 4.097 1.00 0.00 H new ATOM 0 HA THR A 30 -6.533 -3.300 1.897 1.00 0.00 H new ATOM 0 HB THR A 30 -8.084 -4.925 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.714 -3.817 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.947 -6.726 2.809 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.413 -5.843 2.624 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.461 -5.522 4.026 1.00 0.00 H new ATOM 462 N ALA A 31 -8.286 -2.342 0.257 1.00 0.00 N ATOM 463 CA ALA A 31 -9.024 -1.437 -0.606 1.00 0.00 C ATOM 464 C ALA A 31 -8.923 -1.876 -2.063 1.00 0.00 C ATOM 465 O ALA A 31 -7.872 -2.337 -2.506 1.00 0.00 O ATOM 466 CB ALA A 31 -8.493 -0.027 -0.444 1.00 0.00 C ATOM 0 H ALA A 31 -7.707 -3.017 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.075 -1.459 -0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.050 0.648 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.609 0.289 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.437 -0.002 -0.715 1.00 0.00 H new ATOM 472 N LYS A 32 -10.005 -1.718 -2.814 1.00 0.00 N ATOM 473 CA LYS A 32 -9.996 -2.087 -4.223 1.00 0.00 C ATOM 474 C LYS A 32 -9.199 -1.054 -5.009 1.00 0.00 C ATOM 475 O LYS A 32 -8.453 -0.270 -4.422 1.00 0.00 O ATOM 476 CB LYS A 32 -11.424 -2.187 -4.765 1.00 0.00 C ATOM 477 CG LYS A 32 -12.356 -2.996 -3.878 1.00 0.00 C ATOM 478 CD LYS A 32 -13.812 -2.788 -4.260 1.00 0.00 C ATOM 479 CE LYS A 32 -14.733 -2.964 -3.063 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.151 -2.667 -3.405 1.00 0.00 N ATOM 0 H LYS A 32 -10.891 -1.341 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.527 -3.065 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.830 -1.182 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.397 -2.639 -5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.106 -4.054 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.208 -2.710 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.941 -1.789 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.089 -3.496 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.655 -3.986 -2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.409 -2.307 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.712 -2.599 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.202 -1.765 -3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.531 -3.429 -4.002 1.00 0.00 H new ATOM 494 N THR A 33 -9.317 -1.070 -6.331 1.00 0.00 N ATOM 495 CA THR A 33 -8.561 -0.146 -7.170 1.00 0.00 C ATOM 496 C THR A 33 -8.652 1.287 -6.655 1.00 0.00 C ATOM 497 O THR A 33 -9.582 1.645 -5.933 1.00 0.00 O ATOM 498 CB THR A 33 -9.062 -0.212 -8.616 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.296 -0.901 -8.690 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.095 -0.901 -9.553 1.00 0.00 C ATOM 0 H THR A 33 -9.925 -1.708 -6.844 1.00 0.00 H new ATOM 0 HA THR A 33 -7.515 -0.450 -7.134 1.00 0.00 H new ATOM 0 HB THR A 33 -9.171 0.826 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.141 -1.818 -8.998 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.511 -0.914 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.147 -0.362 -9.558 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.929 -1.924 -9.216 1.00 0.00 H new ATOM 508 N LEU A 34 -7.648 2.085 -7.022 1.00 0.00 N ATOM 509 CA LEU A 34 -7.539 3.488 -6.612 1.00 0.00 C ATOM 510 C LEU A 34 -8.895 4.129 -6.327 1.00 0.00 C ATOM 511 O LEU A 34 -9.050 4.846 -5.341 1.00 0.00 O ATOM 512 CB LEU A 34 -6.793 4.291 -7.683 1.00 0.00 C ATOM 513 CG LEU A 34 -5.532 3.619 -8.238 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.910 4.464 -9.340 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.527 3.363 -7.122 1.00 0.00 C ATOM 0 H LEU A 34 -6.880 1.774 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.978 3.504 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.476 4.487 -8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.516 5.258 -7.263 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.818 2.659 -8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.017 3.968 -9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.627 4.589 -10.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.640 5.442 -8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.638 2.886 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.248 4.310 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.974 2.710 -6.372 1.00 0.00 H new ATOM 527 N ARG A 35 -9.877 3.867 -7.182 1.00 0.00 N ATOM 528 CA ARG A 35 -11.211 4.426 -6.988 1.00 0.00 C ATOM 529 C ARG A 35 -11.695 4.162 -5.564 1.00 0.00 C ATOM 530 O ARG A 35 -11.975 5.092 -4.804 1.00 0.00 O ATOM 531 CB ARG A 35 -12.194 3.828 -7.996 1.00 0.00 C ATOM 532 CG ARG A 35 -13.329 4.767 -8.368 1.00 0.00 C ATOM 533 CD ARG A 35 -13.740 4.596 -9.822 1.00 0.00 C ATOM 534 NE ARG A 35 -14.738 3.542 -9.989 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.010 2.958 -11.154 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.365 3.323 -12.255 1.00 0.00 N ATOM 537 NH2 ARG A 35 -15.931 2.006 -11.218 1.00 0.00 N ATOM 0 H ARG A 35 -9.777 3.277 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.159 5.503 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.651 3.551 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.613 2.911 -7.582 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.186 4.577 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.021 5.798 -8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.140 5.537 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.861 4.361 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.256 3.236 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.656 4.055 -12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.578 2.871 -13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.430 1.722 -10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.140 1.558 -12.110 1.00 0.00 H new ATOM 551 N GLU A 36 -11.778 2.885 -5.207 1.00 0.00 N ATOM 552 CA GLU A 36 -12.214 2.491 -3.876 1.00 0.00 C ATOM 553 C GLU A 36 -11.207 2.936 -2.821 1.00 0.00 C ATOM 554 O GLU A 36 -11.587 3.373 -1.735 1.00 0.00 O ATOM 555 CB GLU A 36 -12.409 0.976 -3.806 1.00 0.00 C ATOM 556 CG GLU A 36 -13.604 0.554 -2.968 1.00 0.00 C ATOM 557 CD GLU A 36 -14.922 0.745 -3.692 1.00 0.00 C ATOM 558 OE1 GLU A 36 -15.368 1.905 -3.816 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.508 -0.265 -4.136 1.00 0.00 O ATOM 0 H GLU A 36 -11.548 2.105 -5.823 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.166 2.981 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.529 0.587 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.508 0.521 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.496 -0.494 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.615 1.130 -2.043 1.00 0.00 H new ATOM 566 N ALA A 37 -9.919 2.828 -3.144 1.00 0.00 N ATOM 567 CA ALA A 37 -8.870 3.228 -2.212 1.00 0.00 C ATOM 568 C ALA A 37 -8.999 4.703 -1.862 1.00 0.00 C ATOM 569 O ALA A 37 -9.188 5.056 -0.699 1.00 0.00 O ATOM 570 CB ALA A 37 -7.496 2.935 -2.794 1.00 0.00 C ATOM 0 H ALA A 37 -9.580 2.470 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.985 2.647 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.727 3.240 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.404 1.867 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.370 3.487 -3.725 1.00 0.00 H new ATOM 576 N GLU A 38 -8.902 5.562 -2.875 1.00 0.00 N ATOM 577 CA GLU A 38 -9.017 7.001 -2.666 1.00 0.00 C ATOM 578 C GLU A 38 -10.198 7.315 -1.762 1.00 0.00 C ATOM 579 O GLU A 38 -10.094 8.141 -0.858 1.00 0.00 O ATOM 580 CB GLU A 38 -9.169 7.727 -3.999 1.00 0.00 C ATOM 581 CG GLU A 38 -7.845 8.077 -4.656 1.00 0.00 C ATOM 582 CD GLU A 38 -8.004 9.058 -5.802 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.685 10.088 -5.611 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.449 8.794 -6.889 1.00 0.00 O ATOM 0 H GLU A 38 -8.745 5.287 -3.844 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.104 7.349 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.749 7.103 -4.679 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.740 8.642 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.174 8.502 -3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.375 7.166 -5.025 1.00 0.00 H new ATOM 591 N LYS A 39 -11.312 6.630 -1.992 1.00 0.00 N ATOM 592 CA LYS A 39 -12.495 6.826 -1.169 1.00 0.00 C ATOM 593 C LYS A 39 -12.172 6.472 0.280 1.00 0.00 C ATOM 594 O LYS A 39 -12.406 7.263 1.193 1.00 0.00 O ATOM 595 CB LYS A 39 -13.653 5.967 -1.678 1.00 0.00 C ATOM 596 CG LYS A 39 -14.922 6.106 -0.854 1.00 0.00 C ATOM 597 CD LYS A 39 -14.939 5.128 0.309 1.00 0.00 C ATOM 598 CE LYS A 39 -16.355 4.863 0.796 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.551 3.442 1.190 1.00 0.00 N ATOM 0 H LYS A 39 -11.419 5.940 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.797 7.872 -1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.869 6.239 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.345 4.922 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.002 7.125 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.791 5.933 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.477 4.189 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.340 5.525 1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.573 5.509 1.647 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.064 5.122 0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.529 3.304 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.368 2.827 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.893 3.201 1.958 1.00 0.00 H new ATOM 613 N LYS A 40 -11.631 5.271 0.477 1.00 0.00 N ATOM 614 CA LYS A 40 -11.272 4.804 1.809 1.00 0.00 C ATOM 615 C LYS A 40 -10.198 5.689 2.437 1.00 0.00 C ATOM 616 O LYS A 40 -10.190 5.901 3.649 1.00 0.00 O ATOM 617 CB LYS A 40 -10.781 3.357 1.748 1.00 0.00 C ATOM 618 CG LYS A 40 -11.882 2.353 1.451 1.00 0.00 C ATOM 619 CD LYS A 40 -11.457 0.935 1.807 1.00 0.00 C ATOM 620 CE LYS A 40 -12.509 0.230 2.647 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.534 0.740 4.046 1.00 0.00 N ATOM 0 H LYS A 40 -11.433 4.606 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.165 4.857 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.010 3.276 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.314 3.100 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.778 2.617 2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.144 2.401 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.280 0.367 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.514 0.963 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.490 0.369 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.310 -0.842 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.309 0.283 4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.629 0.524 4.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.682 1.769 4.038 1.00 0.00 H new ATOM 635 N ILE A 41 -9.289 6.200 1.609 1.00 0.00 N ATOM 636 CA ILE A 41 -8.212 7.054 2.099 1.00 0.00 C ATOM 637 C ILE A 41 -8.613 8.528 2.108 1.00 0.00 C ATOM 638 O ILE A 41 -7.870 9.376 2.603 1.00 0.00 O ATOM 639 CB ILE A 41 -6.940 6.881 1.253 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.582 5.400 1.138 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.786 7.668 1.858 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.459 5.123 0.163 1.00 0.00 C ATOM 0 H ILE A 41 -9.277 6.038 0.602 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.010 6.743 3.124 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.129 7.270 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.299 5.026 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.467 4.844 0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.894 7.534 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.046 8.726 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.590 7.308 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.259 4.052 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.747 5.466 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.561 5.651 0.483 1.00 0.00 H new ATOM 654 N LYS A 42 -9.787 8.831 1.562 1.00 0.00 N ATOM 655 CA LYS A 42 -10.272 10.205 1.517 1.00 0.00 C ATOM 656 C LYS A 42 -10.449 10.776 2.922 1.00 0.00 C ATOM 657 O LYS A 42 -10.555 11.990 3.097 1.00 0.00 O ATOM 658 CB LYS A 42 -11.594 10.278 0.757 1.00 0.00 C ATOM 659 CG LYS A 42 -11.818 11.607 0.054 1.00 0.00 C ATOM 660 CD LYS A 42 -13.285 12.006 0.069 1.00 0.00 C ATOM 661 CE LYS A 42 -13.708 12.636 -1.249 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.028 14.082 -1.096 1.00 0.00 N ATOM 0 H LYS A 42 -10.418 8.146 1.146 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.525 10.804 0.996 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.624 9.476 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.414 10.102 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.224 12.381 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.469 11.538 -0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.899 11.128 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.463 12.709 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.909 12.516 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.580 12.111 -1.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.312 14.474 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.807 14.195 -0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.189 14.588 -0.748 1.00 0.00 H new ATOM 676 N GLU A 43 -10.482 9.897 3.921 1.00 0.00 N ATOM 677 CA GLU A 43 -10.649 10.323 5.305 1.00 0.00 C ATOM 678 C GLU A 43 -9.638 9.635 6.217 1.00 0.00 C ATOM 679 O GLU A 43 -8.931 10.291 6.981 1.00 0.00 O ATOM 680 CB GLU A 43 -12.070 10.025 5.785 1.00 0.00 C ATOM 681 CG GLU A 43 -13.149 10.507 4.829 1.00 0.00 C ATOM 682 CD GLU A 43 -14.398 9.648 4.877 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.795 9.241 5.989 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.977 9.380 3.804 1.00 0.00 O ATOM 0 H GLU A 43 -10.395 8.888 3.797 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.475 11.398 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.178 8.950 5.929 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.222 10.494 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.411 11.537 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.754 10.510 3.813 1.00 0.00 H new ATOM 691 N LEU A 44 -9.579 8.309 6.136 1.00 0.00 N ATOM 692 CA LEU A 44 -8.656 7.532 6.958 1.00 0.00 C ATOM 693 C LEU A 44 -7.214 7.984 6.741 1.00 0.00 C ATOM 694 O LEU A 44 -6.769 8.151 5.606 1.00 0.00 O ATOM 695 CB LEU A 44 -8.790 6.040 6.639 1.00 0.00 C ATOM 696 CG LEU A 44 -9.558 5.222 7.679 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.791 5.174 8.992 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.948 5.803 7.891 1.00 0.00 C ATOM 0 H LEU A 44 -10.159 7.750 5.510 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.913 7.699 8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.288 5.933 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.792 5.616 6.531 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.665 4.203 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.352 4.588 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.817 4.713 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.653 6.187 9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.481 5.209 8.634 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.863 6.832 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.497 5.785 6.950 1.00 0.00 H new ATOM 710 N PHE A 45 -6.489 8.177 7.838 1.00 0.00 N ATOM 711 CA PHE A 45 -5.097 8.606 7.769 1.00 0.00 C ATOM 712 C PHE A 45 -4.157 7.407 7.869 1.00 0.00 C ATOM 713 O PHE A 45 -3.384 7.287 8.820 1.00 0.00 O ATOM 714 CB PHE A 45 -4.791 9.606 8.887 1.00 0.00 C ATOM 715 CG PHE A 45 -3.415 10.203 8.797 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.126 11.167 7.845 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.412 9.800 9.664 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.862 11.719 7.759 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.146 10.349 9.583 1.00 0.00 C ATOM 720 CZ PHE A 45 -0.870 11.309 8.629 1.00 0.00 C ATOM 0 H PHE A 45 -6.842 8.043 8.785 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.938 9.093 6.807 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.529 10.408 8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.900 9.107 9.850 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.897 11.491 7.162 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.622 9.049 10.411 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.650 12.470 7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.373 10.027 10.265 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.119 11.738 8.563 1.00 0.00 H new ATOM 730 N PHE A 46 -4.232 6.522 6.880 1.00 0.00 N ATOM 731 CA PHE A 46 -3.390 5.331 6.855 1.00 0.00 C ATOM 732 C PHE A 46 -1.908 5.706 6.880 1.00 0.00 C ATOM 733 O PHE A 46 -1.442 6.469 6.035 1.00 0.00 O ATOM 734 CB PHE A 46 -3.689 4.498 5.607 1.00 0.00 C ATOM 735 CG PHE A 46 -4.985 3.742 5.677 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.173 2.747 6.623 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.015 4.024 4.794 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.363 2.047 6.686 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.207 3.329 4.853 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.382 2.338 5.800 1.00 0.00 C ATOM 0 H PHE A 46 -4.867 6.607 6.086 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.614 4.743 7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.710 5.157 4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.875 3.790 5.451 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.380 2.516 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.884 4.797 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.496 1.273 7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.002 3.560 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.313 1.793 5.847 1.00 0.00 H new ATOM 750 N PRO A 47 -1.141 5.166 7.847 1.00 0.00 N ATOM 751 CA PRO A 47 0.293 5.447 7.958 1.00 0.00 C ATOM 752 C PRO A 47 1.095 4.752 6.863 1.00 0.00 C ATOM 753 O PRO A 47 2.187 5.190 6.499 1.00 0.00 O ATOM 754 CB PRO A 47 0.658 4.876 9.329 1.00 0.00 C ATOM 755 CG PRO A 47 -0.330 3.787 9.557 1.00 0.00 C ATOM 756 CD PRO A 47 -1.605 4.235 8.893 1.00 0.00 C ATOM 0 HA PRO A 47 0.515 6.509 7.851 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.679 4.494 9.340 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.594 5.638 10.106 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.021 2.847 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.484 3.617 10.623 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.153 3.394 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.274 4.726 9.599 1.00 0.00 H new ATOM 764 N VAL A 48 0.538 3.664 6.342 1.00 0.00 N ATOM 765 CA VAL A 48 1.188 2.901 5.289 1.00 0.00 C ATOM 766 C VAL A 48 0.182 2.395 4.263 1.00 0.00 C ATOM 767 O VAL A 48 -0.871 1.865 4.613 1.00 0.00 O ATOM 768 CB VAL A 48 1.951 1.702 5.869 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.983 1.189 4.877 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.600 2.091 7.184 1.00 0.00 C ATOM 0 H VAL A 48 -0.365 3.292 6.635 1.00 0.00 H new ATOM 0 HA VAL A 48 1.888 3.576 4.797 1.00 0.00 H new ATOM 0 HB VAL A 48 1.246 0.892 6.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.512 0.339 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.483 0.877 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.695 1.982 4.650 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.140 1.236 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.296 2.913 7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.831 2.404 7.891 1.00 0.00 H new ATOM 780 N ILE A 49 0.526 2.564 2.995 1.00 0.00 N ATOM 781 CA ILE A 49 -0.327 2.126 1.900 1.00 0.00 C ATOM 782 C ILE A 49 0.392 1.090 1.043 1.00 0.00 C ATOM 783 O ILE A 49 1.612 1.130 0.895 1.00 0.00 O ATOM 784 CB ILE A 49 -0.752 3.307 1.007 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.224 4.483 1.864 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.848 2.875 0.045 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.437 4.167 2.711 1.00 0.00 C ATOM 0 H ILE A 49 1.396 3.005 2.697 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.219 1.683 2.344 1.00 0.00 H new ATOM 0 HB ILE A 49 0.111 3.630 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.408 4.797 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.455 5.326 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.138 3.720 -0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.480 2.067 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.713 2.528 0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.715 5.047 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.267 3.882 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.204 3.345 3.387 1.00 0.00 H new ATOM 799 N VAL A 50 -0.375 0.168 0.478 1.00 0.00 N ATOM 800 CA VAL A 50 0.186 -0.876 -0.370 1.00 0.00 C ATOM 801 C VAL A 50 -0.669 -1.073 -1.612 1.00 0.00 C ATOM 802 O VAL A 50 -1.751 -1.651 -1.549 1.00 0.00 O ATOM 803 CB VAL A 50 0.311 -2.213 0.387 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.876 -3.296 -0.521 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.178 -2.039 1.621 1.00 0.00 C ATOM 0 H VAL A 50 -1.388 0.121 0.591 1.00 0.00 H new ATOM 0 HA VAL A 50 1.184 -0.553 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.684 -2.525 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.956 -4.231 0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.214 -3.436 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.864 -2.997 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.258 -2.991 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.172 -1.704 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.728 -1.297 2.280 1.00 0.00 H new ATOM 815 N LEU A 51 -0.171 -0.592 -2.741 1.00 0.00 N ATOM 816 CA LEU A 51 -0.888 -0.715 -4.002 1.00 0.00 C ATOM 817 C LEU A 51 -0.489 -1.993 -4.727 1.00 0.00 C ATOM 818 O LEU A 51 0.382 -1.979 -5.596 1.00 0.00 O ATOM 819 CB LEU A 51 -0.617 0.500 -4.891 1.00 0.00 C ATOM 820 CG LEU A 51 -1.290 0.462 -6.263 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.789 0.249 -6.116 1.00 0.00 C ATOM 822 CD2 LEU A 51 -1.006 1.745 -7.031 1.00 0.00 C ATOM 0 H LEU A 51 0.727 -0.113 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.955 -0.760 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.948 1.396 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.460 0.593 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.878 -0.375 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.252 0.225 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.974 -0.696 -5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.217 1.066 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.493 1.701 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.391 2.597 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.070 1.857 -7.167 1.00 0.00 H new ATOM 834 N ASP A 52 -1.130 -3.097 -4.362 1.00 0.00 N ATOM 835 CA ASP A 52 -0.844 -4.387 -4.974 1.00 0.00 C ATOM 836 C ASP A 52 -1.254 -4.394 -6.444 1.00 0.00 C ATOM 837 O ASP A 52 -2.255 -5.005 -6.815 1.00 0.00 O ATOM 838 CB ASP A 52 -1.572 -5.504 -4.224 1.00 0.00 C ATOM 839 CG ASP A 52 -0.783 -6.799 -4.207 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.828 -7.534 -5.214 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.121 -7.077 -3.184 1.00 0.00 O ATOM 0 H ASP A 52 -1.853 -3.124 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 52 0.231 -4.560 -4.914 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.764 -5.185 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.542 -5.679 -4.690 1.00 0.00 H new ATOM 846 N VAL A 53 -0.473 -3.708 -7.275 1.00 0.00 N ATOM 847 CA VAL A 53 -0.753 -3.631 -8.706 1.00 0.00 C ATOM 848 C VAL A 53 -0.915 -5.024 -9.314 1.00 0.00 C ATOM 849 O VAL A 53 0.050 -5.614 -9.800 1.00 0.00 O ATOM 850 CB VAL A 53 0.363 -2.872 -9.465 1.00 0.00 C ATOM 851 CG1 VAL A 53 1.737 -3.395 -9.082 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.159 -2.972 -10.968 1.00 0.00 C ATOM 0 H VAL A 53 0.360 -3.197 -6.981 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.688 -3.081 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 53 0.305 -1.822 -9.178 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.502 -2.844 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.891 -3.262 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.805 -4.454 -9.330 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.955 -2.431 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.180 -4.019 -11.269 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.804 -2.537 -11.234 1.00 0.00 H new ATOM 862 N TRP A 54 -2.140 -5.541 -9.289 1.00 0.00 N ATOM 863 CA TRP A 54 -2.420 -6.859 -9.846 1.00 0.00 C ATOM 864 C TRP A 54 -2.763 -6.748 -11.330 1.00 0.00 C ATOM 865 O TRP A 54 -1.917 -6.981 -12.192 1.00 0.00 O ATOM 866 CB TRP A 54 -3.566 -7.530 -9.082 1.00 0.00 C ATOM 867 CG TRP A 54 -3.974 -8.850 -9.660 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.233 -9.235 -10.021 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.117 -9.960 -9.944 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.210 -10.518 -10.511 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.923 -10.985 -10.474 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.746 -10.187 -9.802 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.401 -12.218 -10.862 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.229 -11.409 -10.187 1.00 0.00 C ATOM 875 CH2 TRP A 54 -2.055 -12.411 -10.712 1.00 0.00 C ATOM 0 H TRP A 54 -2.951 -5.069 -8.890 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.527 -7.475 -9.742 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.266 -7.674 -8.044 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.428 -6.863 -9.075 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.117 -8.621 -9.934 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.020 -11.038 -10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.101 -9.420 -9.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.036 -12.993 -11.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.170 -11.595 -10.081 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.620 -13.355 -11.004 1.00 0.00 H new ATOM 886 N MET A 55 -4.007 -6.381 -11.619 1.00 0.00 N ATOM 887 CA MET A 55 -4.459 -6.227 -12.997 1.00 0.00 C ATOM 888 C MET A 55 -5.504 -5.115 -13.109 1.00 0.00 C ATOM 889 O MET A 55 -6.549 -5.297 -13.736 1.00 0.00 O ATOM 890 CB MET A 55 -5.038 -7.546 -13.514 1.00 0.00 C ATOM 891 CG MET A 55 -3.993 -8.478 -14.105 1.00 0.00 C ATOM 892 SD MET A 55 -3.875 -8.342 -15.898 1.00 0.00 S ATOM 893 CE MET A 55 -2.637 -7.057 -16.059 1.00 0.00 C ATOM 0 H MET A 55 -4.720 -6.185 -10.917 1.00 0.00 H new ATOM 0 HA MET A 55 -3.599 -5.952 -13.608 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.546 -8.056 -12.696 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.791 -7.330 -14.272 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.022 -8.255 -13.663 1.00 0.00 H new ATOM 0 HG3 MET A 55 -4.236 -9.506 -13.838 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.222 -7.076 -17.067 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.095 -6.085 -15.874 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.840 -7.227 -15.335 1.00 0.00 H new ATOM 903 N PRO A 56 -5.238 -3.941 -12.502 1.00 0.00 N ATOM 904 CA PRO A 56 -6.163 -2.806 -12.541 1.00 0.00 C ATOM 905 C PRO A 56 -6.096 -2.049 -13.864 1.00 0.00 C ATOM 906 O PRO A 56 -5.522 -2.534 -14.839 1.00 0.00 O ATOM 907 CB PRO A 56 -5.670 -1.924 -11.396 1.00 0.00 C ATOM 908 CG PRO A 56 -4.205 -2.184 -11.335 1.00 0.00 C ATOM 909 CD PRO A 56 -4.018 -3.626 -11.729 1.00 0.00 C ATOM 0 HA PRO A 56 -7.203 -3.117 -12.446 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.879 -0.871 -11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.159 -2.182 -10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.664 -1.522 -12.011 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.818 -2.001 -10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.118 -3.764 -12.328 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.921 -4.270 -10.855 1.00 0.00 H new ATOM 917 N ASP A 57 -6.686 -0.858 -13.891 1.00 0.00 N ATOM 918 CA ASP A 57 -6.691 -0.035 -15.094 1.00 0.00 C ATOM 919 C ASP A 57 -6.779 1.447 -14.744 1.00 0.00 C ATOM 920 O ASP A 57 -7.325 2.243 -15.508 1.00 0.00 O ATOM 921 CB ASP A 57 -7.859 -0.427 -16.000 1.00 0.00 C ATOM 922 CG ASP A 57 -7.809 -1.887 -16.406 1.00 0.00 C ATOM 923 OD1 ASP A 57 -6.785 -2.309 -16.983 1.00 0.00 O ATOM 924 OD2 ASP A 57 -8.795 -2.609 -16.148 1.00 0.00 O ATOM 0 H ASP A 57 -7.167 -0.442 -13.093 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.754 -0.208 -15.624 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.798 -0.228 -15.484 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.848 0.197 -16.894 1.00 0.00 H new ATOM 929 N GLY A 58 -6.236 1.813 -13.586 1.00 0.00 N ATOM 930 CA GLY A 58 -6.264 3.199 -13.161 1.00 0.00 C ATOM 931 C GLY A 58 -4.932 3.893 -13.365 1.00 0.00 C ATOM 932 O GLY A 58 -4.201 3.583 -14.306 1.00 0.00 O ATOM 0 H GLY A 58 -5.778 1.174 -12.936 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.037 3.731 -13.716 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.538 3.248 -12.107 1.00 0.00 H new ATOM 936 N ASP A 59 -4.613 4.830 -12.480 1.00 0.00 N ATOM 937 CA ASP A 59 -3.358 5.567 -12.567 1.00 0.00 C ATOM 938 C ASP A 59 -2.625 5.552 -11.231 1.00 0.00 C ATOM 939 O ASP A 59 -2.695 6.511 -10.461 1.00 0.00 O ATOM 940 CB ASP A 59 -3.617 7.011 -13.002 1.00 0.00 C ATOM 941 CG ASP A 59 -4.348 7.093 -14.327 1.00 0.00 C ATOM 942 OD1 ASP A 59 -3.801 6.601 -15.338 1.00 0.00 O ATOM 943 OD2 ASP A 59 -5.466 7.649 -14.357 1.00 0.00 O ATOM 0 H ASP A 59 -5.206 5.097 -11.694 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.731 5.078 -13.312 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.202 7.519 -12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.667 7.540 -13.081 1.00 0.00 H new ATOM 948 N GLY A 60 -1.919 4.458 -10.962 1.00 0.00 N ATOM 949 CA GLY A 60 -1.181 4.339 -9.718 1.00 0.00 C ATOM 950 C GLY A 60 -0.186 5.466 -9.524 1.00 0.00 C ATOM 951 O GLY A 60 -0.054 6.004 -8.424 1.00 0.00 O ATOM 0 H GLY A 60 -1.845 3.652 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.882 4.329 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.653 3.386 -9.702 1.00 0.00 H new ATOM 955 N VAL A 61 0.513 5.829 -10.596 1.00 0.00 N ATOM 956 CA VAL A 61 1.493 6.899 -10.543 1.00 0.00 C ATOM 957 C VAL A 61 0.838 8.211 -10.123 1.00 0.00 C ATOM 958 O VAL A 61 1.411 8.990 -9.362 1.00 0.00 O ATOM 959 CB VAL A 61 2.180 7.080 -11.908 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.187 8.209 -11.856 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.844 5.784 -12.347 1.00 0.00 C ATOM 0 H VAL A 61 0.415 5.393 -11.513 1.00 0.00 H new ATOM 0 HA VAL A 61 2.244 6.624 -9.803 1.00 0.00 H new ATOM 0 HB VAL A 61 1.419 7.340 -12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.661 8.319 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.680 9.137 -11.592 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.947 7.985 -11.107 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.325 5.931 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.592 5.491 -11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.091 5.000 -12.431 1.00 0.00 H new ATOM 971 N ASN A 62 -0.373 8.444 -10.615 1.00 0.00 N ATOM 972 CA ASN A 62 -1.113 9.653 -10.277 1.00 0.00 C ATOM 973 C ASN A 62 -1.677 9.545 -8.862 1.00 0.00 C ATOM 974 O ASN A 62 -1.948 10.554 -8.209 1.00 0.00 O ATOM 975 CB ASN A 62 -2.246 9.886 -11.280 1.00 0.00 C ATOM 976 CG ASN A 62 -2.182 11.262 -11.915 1.00 0.00 C ATOM 977 OD1 ASN A 62 -3.165 12.002 -11.921 1.00 0.00 O ATOM 978 ND2 ASN A 62 -1.019 11.610 -12.455 1.00 0.00 N ATOM 0 H ASN A 62 -0.863 7.812 -11.249 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.431 10.502 -10.322 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.199 9.126 -12.060 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.205 9.766 -10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.915 12.523 -12.898 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.230 10.964 -12.427 1.00 0.00 H new ATOM 985 N PHE A 63 -1.844 8.310 -8.395 1.00 0.00 N ATOM 986 CA PHE A 63 -2.367 8.053 -7.059 1.00 0.00 C ATOM 987 C PHE A 63 -1.306 8.330 -5.999 1.00 0.00 C ATOM 988 O PHE A 63 -1.625 8.715 -4.873 1.00 0.00 O ATOM 989 CB PHE A 63 -2.845 6.604 -6.957 1.00 0.00 C ATOM 990 CG PHE A 63 -3.479 6.262 -5.640 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.340 7.151 -5.018 1.00 0.00 C ATOM 992 CD2 PHE A 63 -3.216 5.048 -5.025 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.928 6.836 -3.809 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.800 4.728 -3.815 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.658 5.623 -3.206 1.00 0.00 C ATOM 0 H PHE A 63 -1.623 7.468 -8.927 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.209 8.722 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.562 6.412 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.997 5.940 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.554 8.102 -5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.547 4.344 -5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.599 7.538 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.586 3.779 -3.346 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.117 5.375 -2.260 1.00 0.00 H new ATOM 1005 N ILE A 64 -0.041 8.132 -6.367 1.00 0.00 N ATOM 1006 CA ILE A 64 1.073 8.361 -5.447 1.00 0.00 C ATOM 1007 C ILE A 64 0.936 9.708 -4.744 1.00 0.00 C ATOM 1008 O ILE A 64 1.262 9.841 -3.565 1.00 0.00 O ATOM 1009 CB ILE A 64 2.436 8.318 -6.172 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.496 7.159 -7.174 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.568 8.203 -5.162 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.046 5.831 -6.607 1.00 0.00 C ATOM 0 H ILE A 64 0.238 7.814 -7.295 1.00 0.00 H new ATOM 0 HA ILE A 64 1.037 7.556 -4.713 1.00 0.00 H new ATOM 0 HB ILE A 64 2.551 9.249 -6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.874 7.404 -8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.519 7.059 -7.538 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.523 8.174 -5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.548 9.064 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.446 7.289 -4.581 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.118 5.063 -7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.683 5.561 -5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.013 5.911 -6.270 1.00 0.00 H new ATOM 1024 N ASP A 65 0.449 10.703 -5.477 1.00 0.00 N ATOM 1025 CA ASP A 65 0.266 12.039 -4.924 1.00 0.00 C ATOM 1026 C ASP A 65 -0.872 12.050 -3.912 1.00 0.00 C ATOM 1027 O ASP A 65 -0.759 12.651 -2.846 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.012 13.047 -6.040 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.122 14.467 -5.522 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.878 14.979 -4.977 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -1.209 15.067 -5.661 1.00 0.00 O ATOM 0 H ASP A 65 0.174 10.609 -6.455 1.00 0.00 H new ATOM 0 HA ASP A 65 1.186 12.326 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.786 12.994 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.937 12.776 -6.548 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.968 11.375 -4.249 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.126 11.299 -3.366 1.00 0.00 C ATOM 1038 C PHE A 66 -2.707 10.865 -1.966 1.00 0.00 C ATOM 1039 O PHE A 66 -3.205 11.384 -0.967 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.150 10.320 -3.939 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.452 10.286 -3.192 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.549 9.633 -1.973 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.580 10.899 -3.714 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.749 9.593 -1.289 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.781 10.862 -3.033 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.867 10.208 -1.819 1.00 0.00 C ATOM 0 H PHE A 66 -2.077 10.872 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.578 12.288 -3.296 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.347 10.584 -4.978 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.718 9.319 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.678 9.151 -1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.519 11.411 -4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.813 9.081 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.653 11.344 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.806 10.178 -1.286 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.776 9.918 -1.901 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.278 9.425 -0.624 1.00 0.00 C ATOM 1058 C ILE A 67 -0.591 10.552 0.143 1.00 0.00 C ATOM 1059 O ILE A 67 -0.914 10.814 1.301 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.297 8.244 -0.819 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.055 6.996 -1.276 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.472 7.954 0.466 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.515 7.060 -2.716 1.00 0.00 C ATOM 0 H ILE A 67 -1.352 9.478 -2.718 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.131 9.065 -0.049 1.00 0.00 H new ATOM 0 HB ILE A 67 0.422 8.523 -1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.414 6.124 -1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.923 6.852 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.154 7.120 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.042 8.837 0.756 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.230 7.698 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.045 6.142 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.182 7.912 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.650 7.173 -3.370 1.00 0.00 H new ATOM 1075 N LYS A 68 0.347 11.226 -0.516 1.00 0.00 N ATOM 1076 CA LYS A 68 1.061 12.337 0.104 1.00 0.00 C ATOM 1077 C LYS A 68 0.169 13.574 0.185 1.00 0.00 C ATOM 1078 O LYS A 68 0.517 14.561 0.833 1.00 0.00 O ATOM 1079 CB LYS A 68 2.333 12.659 -0.683 1.00 0.00 C ATOM 1080 CG LYS A 68 3.380 11.558 -0.626 1.00 0.00 C ATOM 1081 CD LYS A 68 4.669 12.043 0.018 1.00 0.00 C ATOM 1082 CE LYS A 68 5.646 10.899 0.246 1.00 0.00 C ATOM 1083 NZ LYS A 68 7.008 11.223 -0.264 1.00 0.00 N ATOM 0 H LYS A 68 0.629 11.023 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 68 1.337 12.041 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.069 12.844 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.766 13.581 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.988 10.711 -0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.589 11.201 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.133 12.797 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.442 12.524 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.701 10.675 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.276 10.001 -0.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.495 10.345 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.929 11.845 -1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.551 11.706 0.480 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.988 13.511 -0.473 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.935 14.617 -0.471 1.00 0.00 C ATOM 1099 C GLU A 69 -2.696 14.658 0.847 1.00 0.00 C ATOM 1100 O GLU A 69 -2.824 15.709 1.476 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.914 14.477 -1.636 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.839 15.672 -1.802 1.00 0.00 C ATOM 1103 CD GLU A 69 -5.090 15.337 -2.590 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -6.036 14.780 -1.994 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.124 15.631 -3.803 1.00 0.00 O ATOM 0 H GLU A 69 -1.290 12.701 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.381 15.549 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.350 14.334 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.516 13.580 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.123 16.046 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.301 16.476 -2.305 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.199 13.500 1.254 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.955 13.379 2.495 1.00 0.00 C ATOM 1114 C ASN A 70 -3.210 12.508 3.505 1.00 0.00 C ATOM 1115 O ASN A 70 -3.794 12.030 4.476 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.346 12.790 2.220 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.422 12.055 0.893 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.240 12.790 -0.201 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -5.639 10.845 0.851 1.00 0.00 N flip ATOM 0 H ASN A 70 -3.096 12.625 0.739 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.070 14.377 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.611 12.105 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.084 13.593 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.773 10.321 1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.685 10.366 -0.048 1.00 0.00 H new ATOM 1126 N SER A 71 -1.915 12.305 3.266 1.00 0.00 N ATOM 1127 CA SER A 71 -1.091 11.493 4.152 1.00 0.00 C ATOM 1128 C SER A 71 0.393 11.746 3.891 1.00 0.00 C ATOM 1129 O SER A 71 1.107 10.868 3.406 1.00 0.00 O ATOM 1130 CB SER A 71 -1.412 10.008 3.962 1.00 0.00 C ATOM 1131 OG SER A 71 -2.220 9.522 5.021 1.00 0.00 O ATOM 0 H SER A 71 -1.416 12.693 2.465 1.00 0.00 H new ATOM 0 HA SER A 71 -1.315 11.775 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.926 9.862 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.486 9.435 3.915 1.00 0.00 H new ATOM 0 HG SER A 71 -2.161 10.134 5.784 1.00 0.00 H new ATOM 1137 N PRO A 72 0.878 12.958 4.208 1.00 0.00 N ATOM 1138 CA PRO A 72 2.281 13.326 4.005 1.00 0.00 C ATOM 1139 C PRO A 72 3.209 12.601 4.967 1.00 0.00 C ATOM 1140 O PRO A 72 4.416 12.510 4.740 1.00 0.00 O ATOM 1141 CB PRO A 72 2.314 14.841 4.266 1.00 0.00 C ATOM 1142 CG PRO A 72 0.886 15.270 4.357 1.00 0.00 C ATOM 1143 CD PRO A 72 0.107 14.064 4.787 1.00 0.00 C ATOM 0 HA PRO A 72 2.627 13.053 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.850 15.067 5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.829 15.365 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.770 16.083 5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.530 15.640 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.044 13.989 5.873 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.915 14.086 4.409 1.00 0.00 H new ATOM 1151 N ASP A 73 2.632 12.086 6.039 1.00 0.00 N ATOM 1152 CA ASP A 73 3.389 11.359 7.051 1.00 0.00 C ATOM 1153 C ASP A 73 3.051 9.872 7.011 1.00 0.00 C ATOM 1154 O ASP A 73 2.909 9.227 8.050 1.00 0.00 O ATOM 1155 CB ASP A 73 3.097 11.924 8.439 1.00 0.00 C ATOM 1156 CG ASP A 73 4.063 11.408 9.488 1.00 0.00 C ATOM 1157 OD1 ASP A 73 5.286 11.443 9.237 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.596 10.971 10.561 1.00 0.00 O ATOM 0 H ASP A 73 1.633 12.157 6.234 1.00 0.00 H new ATOM 0 HA ASP A 73 4.451 11.480 6.836 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.150 13.012 8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.079 11.664 8.727 1.00 0.00 H new ATOM 1163 N SER A 74 2.917 9.337 5.802 1.00 0.00 N ATOM 1164 CA SER A 74 2.587 7.930 5.618 1.00 0.00 C ATOM 1165 C SER A 74 3.695 7.204 4.851 1.00 0.00 C ATOM 1166 O SER A 74 4.842 7.653 4.829 1.00 0.00 O ATOM 1167 CB SER A 74 1.253 7.804 4.880 1.00 0.00 C ATOM 1168 OG SER A 74 0.862 6.448 4.749 1.00 0.00 O ATOM 0 H SER A 74 3.032 9.859 4.933 1.00 0.00 H new ATOM 0 HA SER A 74 2.497 7.462 6.598 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.483 8.356 5.419 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.337 8.257 3.892 1.00 0.00 H new ATOM 0 HG SER A 74 -0.091 6.361 4.960 1.00 0.00 H new ATOM 1174 N VAL A 75 3.344 6.088 4.217 1.00 0.00 N ATOM 1175 CA VAL A 75 4.315 5.322 3.446 1.00 0.00 C ATOM 1176 C VAL A 75 3.683 4.648 2.238 1.00 0.00 C ATOM 1177 O VAL A 75 2.576 4.127 2.309 1.00 0.00 O ATOM 1178 CB VAL A 75 5.016 4.251 4.303 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.098 3.557 3.485 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.603 4.874 5.561 1.00 0.00 C ATOM 0 H VAL A 75 2.402 5.698 4.222 1.00 0.00 H new ATOM 0 HA VAL A 75 5.055 6.045 3.103 1.00 0.00 H new ATOM 0 HB VAL A 75 4.281 3.506 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.589 2.801 4.098 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.647 3.081 2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.833 4.292 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.094 4.102 6.154 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.331 5.637 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.805 5.330 6.148 1.00 0.00 H new ATOM 1190 N VAL A 76 4.401 4.679 1.125 1.00 0.00 N ATOM 1191 CA VAL A 76 3.917 4.081 -0.115 1.00 0.00 C ATOM 1192 C VAL A 76 4.868 2.998 -0.612 1.00 0.00 C ATOM 1193 O VAL A 76 5.838 3.283 -1.313 1.00 0.00 O ATOM 1194 CB VAL A 76 3.730 5.133 -1.228 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.735 4.639 -2.266 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.280 6.466 -0.644 1.00 0.00 C ATOM 0 H VAL A 76 5.322 5.112 1.053 1.00 0.00 H new ATOM 0 HA VAL A 76 2.948 3.638 0.115 1.00 0.00 H new ATOM 0 HB VAL A 76 4.692 5.286 -1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.615 5.394 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.103 3.714 -2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.773 4.454 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.155 7.192 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.331 6.334 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.031 6.828 0.058 1.00 0.00 H new ATOM 1206 N ILE A 77 4.580 1.755 -0.243 1.00 0.00 N ATOM 1207 CA ILE A 77 5.406 0.626 -0.652 1.00 0.00 C ATOM 1208 C ILE A 77 5.190 0.299 -2.126 1.00 0.00 C ATOM 1209 O ILE A 77 6.135 0.295 -2.916 1.00 0.00 O ATOM 1210 CB ILE A 77 5.105 -0.626 0.193 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.189 -0.293 1.685 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.066 -1.753 -0.158 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.549 0.217 2.112 1.00 0.00 C ATOM 0 H ILE A 77 3.781 1.504 0.339 1.00 0.00 H new ATOM 0 HA ILE A 77 6.445 0.916 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 77 4.092 -0.959 -0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.436 0.458 1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.946 -1.185 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.837 -2.629 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.961 -2.006 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.089 -1.433 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.538 0.433 3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.304 -0.541 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.786 1.127 1.560 1.00 0.00 H new ATOM 1225 N VAL A 78 3.940 0.027 -2.491 1.00 0.00 N ATOM 1226 CA VAL A 78 3.597 -0.299 -3.871 1.00 0.00 C ATOM 1227 C VAL A 78 4.473 -1.430 -4.404 1.00 0.00 C ATOM 1228 O VAL A 78 5.583 -1.198 -4.882 1.00 0.00 O ATOM 1229 CB VAL A 78 3.742 0.929 -4.790 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.198 0.625 -6.177 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.034 2.132 -4.185 1.00 0.00 C ATOM 0 H VAL A 78 3.147 0.026 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 78 2.556 -0.621 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 78 4.801 1.167 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.309 1.504 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.752 -0.208 -6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.143 0.361 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.146 2.991 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.975 1.906 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.473 2.362 -3.214 1.00 0.00 H new ATOM 1241 N ILE A 79 3.966 -2.655 -4.311 1.00 0.00 N ATOM 1242 CA ILE A 79 4.701 -3.827 -4.776 1.00 0.00 C ATOM 1243 C ILE A 79 4.062 -4.384 -6.055 1.00 0.00 C ATOM 1244 O ILE A 79 3.508 -3.625 -6.848 1.00 0.00 O ATOM 1245 CB ILE A 79 4.754 -4.923 -3.684 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.714 -4.300 -2.288 1.00 0.00 C ATOM 1247 CG2 ILE A 79 6.012 -5.767 -3.841 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.554 -5.314 -1.176 1.00 0.00 C ATOM 0 H ILE A 79 3.048 -2.863 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 79 5.723 -3.518 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 79 3.880 -5.564 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.632 -3.736 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.890 -3.588 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.035 -6.533 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.011 -6.243 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.892 -5.130 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.534 -4.800 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.622 -5.862 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.391 -6.012 -1.197 1.00 0.00 H new ATOM 1260 N THR A 80 4.137 -5.701 -6.260 1.00 0.00 N ATOM 1261 CA THR A 80 3.559 -6.327 -7.447 1.00 0.00 C ATOM 1262 C THR A 80 4.094 -5.683 -8.724 1.00 0.00 C ATOM 1263 O THR A 80 4.831 -4.698 -8.673 1.00 0.00 O ATOM 1264 CB THR A 80 2.029 -6.236 -7.412 1.00 0.00 C ATOM 1265 OG1 THR A 80 1.592 -5.570 -6.241 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.349 -7.586 -7.444 1.00 0.00 C ATOM 0 H THR A 80 4.592 -6.352 -5.620 1.00 0.00 H new ATOM 0 HA THR A 80 3.850 -7.377 -7.446 1.00 0.00 H new ATOM 0 HB THR A 80 1.754 -5.683 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.605 -6.194 -5.486 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.268 -7.450 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.626 -8.111 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.663 -8.172 -6.580 1.00 0.00 H new ATOM 1274 N GLY A 81 3.720 -6.250 -9.866 1.00 0.00 N ATOM 1275 CA GLY A 81 4.170 -5.724 -11.141 1.00 0.00 C ATOM 1276 C GLY A 81 4.833 -6.782 -12.000 1.00 0.00 C ATOM 1277 O GLY A 81 5.539 -7.652 -11.490 1.00 0.00 O ATOM 0 H GLY A 81 3.112 -7.066 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.320 -5.304 -11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.872 -4.908 -10.967 1.00 0.00 H new ATOM 1281 N HIS A 82 4.604 -6.710 -13.308 1.00 0.00 N ATOM 1282 CA HIS A 82 5.185 -7.673 -14.239 1.00 0.00 C ATOM 1283 C HIS A 82 6.706 -7.683 -14.136 1.00 0.00 C ATOM 1284 O HIS A 82 7.310 -8.699 -13.792 1.00 0.00 O ATOM 1285 CB HIS A 82 4.761 -7.347 -15.672 1.00 0.00 C ATOM 1286 CG HIS A 82 3.277 -7.297 -15.860 1.00 0.00 C ATOM 1287 ND1 HIS A 82 2.384 -7.779 -14.925 1.00 0.00 N ATOM 1288 CD2 HIS A 82 2.528 -6.820 -16.882 1.00 0.00 C ATOM 1289 CE1 HIS A 82 1.151 -7.599 -15.365 1.00 0.00 C ATOM 1290 NE2 HIS A 82 1.211 -7.019 -16.549 1.00 0.00 N ATOM 0 H HIS A 82 4.022 -5.997 -13.747 1.00 0.00 H new ATOM 0 HA HIS A 82 4.816 -8.664 -13.974 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.188 -6.386 -15.959 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.179 -8.095 -16.345 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.898 -6.367 -17.790 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.247 -7.879 -14.844 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.409 -6.760 -17.124 1.00 0.00 H new ATOM 1299 N GLY A 83 7.322 -6.543 -14.435 1.00 0.00 N ATOM 1300 CA GLY A 83 8.767 -6.442 -14.370 1.00 0.00 C ATOM 1301 C GLY A 83 9.235 -5.580 -13.214 1.00 0.00 C ATOM 1302 O GLY A 83 10.302 -5.814 -12.647 1.00 0.00 O ATOM 0 H GLY A 83 6.845 -5.688 -14.721 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.194 -7.440 -14.272 1.00 0.00 H new ATOM 0 HA3 GLY A 83 9.142 -6.026 -15.305 1.00 0.00 H new ATOM 1306 N SER A 84 8.434 -4.578 -12.863 1.00 0.00 N ATOM 1307 CA SER A 84 8.770 -3.676 -11.768 1.00 0.00 C ATOM 1308 C SER A 84 10.109 -2.990 -12.019 1.00 0.00 C ATOM 1309 O SER A 84 10.996 -3.001 -11.163 1.00 0.00 O ATOM 1310 CB SER A 84 8.811 -4.443 -10.444 1.00 0.00 C ATOM 1311 OG SER A 84 7.515 -4.568 -9.886 1.00 0.00 O ATOM 0 H SER A 84 7.547 -4.371 -13.322 1.00 0.00 H new ATOM 0 HA SER A 84 7.998 -2.909 -11.710 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.237 -5.433 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.465 -3.926 -9.741 1.00 0.00 H new ATOM 0 HG SER A 84 7.134 -3.677 -9.740 1.00 0.00 H new ATOM 1317 N VAL A 85 10.252 -2.396 -13.199 1.00 0.00 N ATOM 1318 CA VAL A 85 11.485 -1.708 -13.563 1.00 0.00 C ATOM 1319 C VAL A 85 11.208 -0.282 -14.028 1.00 0.00 C ATOM 1320 O VAL A 85 11.943 0.645 -13.685 1.00 0.00 O ATOM 1321 CB VAL A 85 12.239 -2.458 -14.676 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.916 -3.701 -14.118 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.295 -2.820 -15.812 1.00 0.00 C ATOM 0 H VAL A 85 9.530 -2.377 -13.919 1.00 0.00 H new ATOM 0 HA VAL A 85 12.104 -1.680 -12.666 1.00 0.00 H new ATOM 0 HB VAL A 85 13.011 -1.799 -15.074 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.444 -4.218 -14.919 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.626 -3.412 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.164 -4.365 -13.692 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.847 -3.349 -16.589 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.498 -3.460 -15.433 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.863 -1.911 -16.230 1.00 0.00 H new ATOM 1333 N ASP A 86 10.150 -0.111 -14.814 1.00 0.00 N ATOM 1334 CA ASP A 86 9.787 1.206 -15.325 1.00 0.00 C ATOM 1335 C ASP A 86 8.605 1.792 -14.557 1.00 0.00 C ATOM 1336 O ASP A 86 8.444 3.010 -14.489 1.00 0.00 O ATOM 1337 CB ASP A 86 9.452 1.125 -16.815 1.00 0.00 C ATOM 1338 CG ASP A 86 9.154 2.484 -17.415 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.114 3.195 -17.782 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.961 2.838 -17.519 1.00 0.00 O ATOM 0 H ASP A 86 9.531 -0.865 -15.110 1.00 0.00 H new ATOM 0 HA ASP A 86 10.644 1.865 -15.186 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.287 0.671 -17.348 1.00 0.00 H new ATOM 0 HB3 ASP A 86 8.591 0.472 -16.956 1.00 0.00 H new ATOM 1345 N THR A 87 7.791 0.925 -13.962 1.00 0.00 N ATOM 1346 CA THR A 87 6.643 1.382 -13.187 1.00 0.00 C ATOM 1347 C THR A 87 7.092 1.753 -11.781 1.00 0.00 C ATOM 1348 O THR A 87 6.568 2.685 -11.171 1.00 0.00 O ATOM 1349 CB THR A 87 5.545 0.307 -13.145 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.267 0.908 -13.043 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.677 -0.673 -11.994 1.00 0.00 C ATOM 0 H THR A 87 7.903 -0.088 -14.001 1.00 0.00 H new ATOM 0 HA THR A 87 6.221 2.264 -13.669 1.00 0.00 H new ATOM 0 HB THR A 87 5.662 -0.247 -14.076 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.579 0.211 -13.019 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.864 -1.397 -12.038 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.631 -1.194 -12.068 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.631 -0.132 -11.049 1.00 0.00 H new ATOM 1359 N ALA A 88 8.087 1.026 -11.287 1.00 0.00 N ATOM 1360 CA ALA A 88 8.640 1.280 -9.968 1.00 0.00 C ATOM 1361 C ALA A 88 9.220 2.682 -9.906 1.00 0.00 C ATOM 1362 O ALA A 88 8.834 3.497 -9.070 1.00 0.00 O ATOM 1363 CB ALA A 88 9.718 0.259 -9.652 1.00 0.00 C ATOM 0 H ALA A 88 8.527 0.253 -11.785 1.00 0.00 H new ATOM 0 HA ALA A 88 7.843 1.195 -9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.127 0.457 -8.661 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.288 -0.742 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.514 0.329 -10.394 1.00 0.00 H new ATOM 1369 N VAL A 89 10.153 2.946 -10.808 1.00 0.00 N ATOM 1370 CA VAL A 89 10.807 4.242 -10.884 1.00 0.00 C ATOM 1371 C VAL A 89 9.800 5.361 -11.146 1.00 0.00 C ATOM 1372 O VAL A 89 10.019 6.506 -10.756 1.00 0.00 O ATOM 1373 CB VAL A 89 11.885 4.256 -11.986 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.854 3.101 -11.793 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.247 4.194 -13.368 1.00 0.00 C ATOM 0 H VAL A 89 10.476 2.273 -11.503 1.00 0.00 H new ATOM 0 HA VAL A 89 11.281 4.416 -9.918 1.00 0.00 H new ATOM 0 HB VAL A 89 12.440 5.191 -11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.609 3.124 -12.579 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.339 3.191 -10.821 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.310 2.158 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.027 4.205 -14.130 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.664 3.277 -13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.593 5.055 -13.506 1.00 0.00 H new ATOM 1385 N LYS A 90 8.700 5.025 -11.814 1.00 0.00 N ATOM 1386 CA LYS A 90 7.673 6.012 -12.127 1.00 0.00 C ATOM 1387 C LYS A 90 6.783 6.302 -10.917 1.00 0.00 C ATOM 1388 O LYS A 90 5.883 7.138 -10.992 1.00 0.00 O ATOM 1389 CB LYS A 90 6.814 5.530 -13.296 1.00 0.00 C ATOM 1390 CG LYS A 90 5.821 6.569 -13.790 1.00 0.00 C ATOM 1391 CD LYS A 90 5.134 6.120 -15.069 1.00 0.00 C ATOM 1392 CE LYS A 90 5.828 6.678 -16.300 1.00 0.00 C ATOM 1393 NZ LYS A 90 4.854 7.096 -17.346 1.00 0.00 N ATOM 0 H LYS A 90 8.498 4.082 -12.147 1.00 0.00 H new ATOM 0 HA LYS A 90 8.179 6.937 -12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.466 5.242 -14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.270 4.636 -12.992 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.073 6.754 -13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.337 7.513 -13.965 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.127 5.031 -15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.094 6.445 -15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.442 7.532 -16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.500 5.925 -16.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.368 7.471 -18.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.284 6.276 -17.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.229 7.833 -16.963 1.00 0.00 H new ATOM 1407 N ALA A 91 7.028 5.608 -9.808 1.00 0.00 N ATOM 1408 CA ALA A 91 6.229 5.804 -8.603 1.00 0.00 C ATOM 1409 C ALA A 91 7.102 5.998 -7.363 1.00 0.00 C ATOM 1410 O ALA A 91 6.743 6.751 -6.458 1.00 0.00 O ATOM 1411 CB ALA A 91 5.288 4.625 -8.402 1.00 0.00 C ATOM 0 H ALA A 91 7.767 4.911 -9.719 1.00 0.00 H new ATOM 0 HA ALA A 91 5.646 6.715 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.696 4.781 -7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.623 4.539 -9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.869 3.709 -8.300 1.00 0.00 H new ATOM 1417 N ILE A 92 8.239 5.310 -7.317 1.00 0.00 N ATOM 1418 CA ILE A 92 9.139 5.409 -6.173 1.00 0.00 C ATOM 1419 C ILE A 92 9.885 6.742 -6.164 1.00 0.00 C ATOM 1420 O ILE A 92 10.017 7.381 -5.119 1.00 0.00 O ATOM 1421 CB ILE A 92 10.152 4.238 -6.135 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.319 4.486 -7.097 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.457 2.922 -6.469 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.312 3.344 -7.151 1.00 0.00 C ATOM 0 H ILE A 92 8.558 4.681 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 92 8.516 5.351 -5.280 1.00 0.00 H new ATOM 0 HB ILE A 92 10.556 4.174 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.924 4.660 -8.098 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.840 5.395 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.183 2.109 -6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.668 2.732 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.023 2.983 -7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.110 3.589 -7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.736 3.183 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.806 2.437 -7.481 1.00 0.00 H new ATOM 1436 N LYS A 93 10.371 7.157 -7.329 1.00 0.00 N ATOM 1437 CA LYS A 93 11.100 8.416 -7.445 1.00 0.00 C ATOM 1438 C LYS A 93 10.227 9.588 -7.007 1.00 0.00 C ATOM 1439 O LYS A 93 10.725 10.583 -6.480 1.00 0.00 O ATOM 1440 CB LYS A 93 11.580 8.624 -8.883 1.00 0.00 C ATOM 1441 CG LYS A 93 13.092 8.720 -9.012 1.00 0.00 C ATOM 1442 CD LYS A 93 13.539 10.128 -9.382 1.00 0.00 C ATOM 1443 CE LYS A 93 14.282 10.797 -8.236 1.00 0.00 C ATOM 1444 NZ LYS A 93 13.374 11.129 -7.104 1.00 0.00 N ATOM 0 H LYS A 93 10.274 6.642 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 93 11.969 8.368 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.223 7.799 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.131 9.535 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.557 8.427 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.438 8.018 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.184 10.087 -10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.670 10.727 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.075 10.138 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.761 11.707 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.452 12.142 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.393 10.907 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.642 10.570 -6.269 1.00 0.00 H new ATOM 1458 N LYS A 94 8.923 9.461 -7.225 1.00 0.00 N ATOM 1459 CA LYS A 94 7.981 10.507 -6.848 1.00 0.00 C ATOM 1460 C LYS A 94 8.015 10.747 -5.344 1.00 0.00 C ATOM 1461 O LYS A 94 8.400 11.822 -4.884 1.00 0.00 O ATOM 1462 CB LYS A 94 6.568 10.134 -7.286 1.00 0.00 C ATOM 1463 CG LYS A 94 6.230 10.576 -8.701 1.00 0.00 C ATOM 1464 CD LYS A 94 6.959 9.737 -9.741 1.00 0.00 C ATOM 1465 CE LYS A 94 7.974 10.564 -10.515 1.00 0.00 C ATOM 1466 NZ LYS A 94 7.398 11.112 -11.774 1.00 0.00 N ATOM 0 H LYS A 94 8.495 8.644 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 94 8.275 11.427 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.448 9.053 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.853 10.580 -6.595 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.154 10.498 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.496 11.625 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.465 8.906 -9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.236 9.306 -10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.327 11.384 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.841 9.947 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.121 11.669 -12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.084 10.329 -12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.586 11.721 -11.548 1.00 0.00 H new ATOM 1480 N GLY A 95 7.614 9.735 -4.580 1.00 0.00 N ATOM 1481 CA GLY A 95 7.610 9.856 -3.134 1.00 0.00 C ATOM 1482 C GLY A 95 7.205 8.570 -2.436 1.00 0.00 C ATOM 1483 O GLY A 95 6.649 8.605 -1.339 1.00 0.00 O ATOM 0 H GLY A 95 7.292 8.835 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.604 10.150 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.926 10.653 -2.843 1.00 0.00 H new ATOM 1487 N ALA A 96 7.485 7.433 -3.067 1.00 0.00 N ATOM 1488 CA ALA A 96 7.145 6.140 -2.487 1.00 0.00 C ATOM 1489 C ALA A 96 8.288 5.604 -1.629 1.00 0.00 C ATOM 1490 O ALA A 96 9.216 6.337 -1.289 1.00 0.00 O ATOM 1491 CB ALA A 96 6.783 5.141 -3.579 1.00 0.00 C ATOM 0 H ALA A 96 7.945 7.382 -3.976 1.00 0.00 H new ATOM 0 HA ALA A 96 6.277 6.279 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.532 4.182 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.926 5.512 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.631 5.014 -4.252 1.00 0.00 H new ATOM 1497 N TYR A 97 8.210 4.325 -1.281 1.00 0.00 N ATOM 1498 CA TYR A 97 9.236 3.692 -0.459 1.00 0.00 C ATOM 1499 C TYR A 97 9.996 2.630 -1.246 1.00 0.00 C ATOM 1500 O TYR A 97 10.525 1.680 -0.671 1.00 0.00 O ATOM 1501 CB TYR A 97 8.599 3.066 0.777 1.00 0.00 C ATOM 1502 CG TYR A 97 9.592 2.694 1.853 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.422 3.652 2.421 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.699 1.384 2.302 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.331 3.315 3.406 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.605 1.039 3.287 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.418 2.008 3.836 1.00 0.00 C ATOM 1508 OH TYR A 97 12.322 1.669 4.816 1.00 0.00 O ATOM 0 H TYR A 97 7.447 3.705 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 97 9.946 4.460 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.872 3.764 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.050 2.173 0.478 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.356 4.677 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.064 0.622 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.970 4.072 3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.676 0.016 3.625 1.00 0.00 H new ATOM 0 HH TYR A 97 12.255 0.710 5.005 1.00 0.00 H new ATOM 1518 N GLU A 98 10.041 2.806 -2.562 1.00 0.00 N ATOM 1519 CA GLU A 98 10.731 1.878 -3.459 1.00 0.00 C ATOM 1520 C GLU A 98 9.881 0.640 -3.734 1.00 0.00 C ATOM 1521 O GLU A 98 9.122 0.189 -2.875 1.00 0.00 O ATOM 1522 CB GLU A 98 12.107 1.481 -2.894 1.00 0.00 C ATOM 1523 CG GLU A 98 12.138 0.142 -2.164 1.00 0.00 C ATOM 1524 CD GLU A 98 13.116 0.133 -1.005 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.277 0.543 -1.207 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.720 -0.284 0.104 1.00 0.00 O ATOM 0 H GLU A 98 9.602 3.593 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 98 10.890 2.393 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.825 1.448 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.441 2.260 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.139 -0.089 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.407 -0.645 -2.868 1.00 0.00 H new ATOM 1533 N PHE A 99 10.017 0.099 -4.938 1.00 0.00 N ATOM 1534 CA PHE A 99 9.267 -1.085 -5.338 1.00 0.00 C ATOM 1535 C PHE A 99 9.903 -2.348 -4.766 1.00 0.00 C ATOM 1536 O PHE A 99 10.744 -2.974 -5.410 1.00 0.00 O ATOM 1537 CB PHE A 99 9.207 -1.175 -6.863 1.00 0.00 C ATOM 1538 CG PHE A 99 7.829 -0.982 -7.428 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.098 0.157 -7.134 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.267 -1.938 -8.261 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.832 0.340 -7.658 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.003 -1.761 -8.789 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.285 -0.620 -8.487 1.00 0.00 C ATOM 0 H PHE A 99 10.642 0.463 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 99 8.255 -1.000 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.872 -0.424 -7.288 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.584 -2.149 -7.175 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.522 0.911 -6.488 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.824 -2.832 -8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.272 1.232 -7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.577 -2.513 -9.437 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.297 -0.479 -8.899 1.00 0.00 H new ATOM 1553 N LEU A 100 9.497 -2.716 -3.557 1.00 0.00 N ATOM 1554 CA LEU A 100 10.025 -3.900 -2.903 1.00 0.00 C ATOM 1555 C LEU A 100 9.763 -5.147 -3.742 1.00 0.00 C ATOM 1556 O LEU A 100 8.759 -5.232 -4.450 1.00 0.00 O ATOM 1557 CB LEU A 100 9.388 -4.048 -1.526 1.00 0.00 C ATOM 1558 CG LEU A 100 9.784 -5.300 -0.760 1.00 0.00 C ATOM 1559 CD1 LEU A 100 11.140 -5.113 -0.097 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.722 -5.632 0.270 1.00 0.00 C ATOM 0 H LEU A 100 8.802 -2.208 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 100 11.104 -3.788 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.651 -3.176 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.304 -4.040 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 100 9.863 -6.132 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 100 11.407 -6.019 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 100 11.893 -4.912 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.093 -4.274 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.012 -6.530 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.620 -4.801 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.770 -5.804 -0.232 1.00 0.00 H new ATOM 1572 N GLU A 101 10.672 -6.113 -3.657 1.00 0.00 N ATOM 1573 CA GLU A 101 10.539 -7.356 -4.409 1.00 0.00 C ATOM 1574 C GLU A 101 9.221 -8.053 -4.085 1.00 0.00 C ATOM 1575 O GLU A 101 8.451 -7.585 -3.246 1.00 0.00 O ATOM 1576 CB GLU A 101 11.713 -8.287 -4.100 1.00 0.00 C ATOM 1577 CG GLU A 101 13.055 -7.749 -4.570 1.00 0.00 C ATOM 1578 CD GLU A 101 14.199 -8.165 -3.666 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.135 -7.872 -2.453 1.00 0.00 O ATOM 1580 OE2 GLU A 101 15.158 -8.783 -4.171 1.00 0.00 O ATOM 0 H GLU A 101 11.508 -6.059 -3.075 1.00 0.00 H new ATOM 0 HA GLU A 101 10.545 -7.112 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.756 -8.459 -3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.533 -9.254 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.250 -8.103 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.010 -6.661 -4.616 1.00 0.00 H new ATOM 1587 N LYS A 102 8.968 -9.172 -4.754 1.00 0.00 N ATOM 1588 CA LYS A 102 7.742 -9.931 -4.535 1.00 0.00 C ATOM 1589 C LYS A 102 8.020 -11.434 -4.541 1.00 0.00 C ATOM 1590 O LYS A 102 7.372 -12.192 -5.264 1.00 0.00 O ATOM 1591 CB LYS A 102 6.706 -9.585 -5.607 1.00 0.00 C ATOM 1592 CG LYS A 102 7.239 -9.691 -7.026 1.00 0.00 C ATOM 1593 CD LYS A 102 7.642 -8.331 -7.573 1.00 0.00 C ATOM 1594 CE LYS A 102 8.935 -8.410 -8.371 1.00 0.00 C ATOM 1595 NZ LYS A 102 9.799 -7.218 -8.148 1.00 0.00 N ATOM 0 H LYS A 102 9.594 -9.574 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 102 7.346 -9.660 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.849 -10.249 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.346 -8.570 -5.438 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.099 -10.361 -7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.478 -10.132 -7.670 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.845 -7.943 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.765 -7.628 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.480 -9.311 -8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.702 -8.496 -9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.097 -6.829 -9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.266 -6.496 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.639 -7.495 -7.600 1.00 0.00 H new ATOM 1609 N PRO A 103 8.991 -11.887 -3.729 1.00 0.00 N ATOM 1610 CA PRO A 103 9.348 -13.307 -3.643 1.00 0.00 C ATOM 1611 C PRO A 103 8.232 -14.145 -3.027 1.00 0.00 C ATOM 1612 O PRO A 103 7.097 -13.686 -2.902 1.00 0.00 O ATOM 1613 CB PRO A 103 10.584 -13.312 -2.737 1.00 0.00 C ATOM 1614 CG PRO A 103 10.472 -12.064 -1.933 1.00 0.00 C ATOM 1615 CD PRO A 103 9.812 -11.055 -2.830 1.00 0.00 C ATOM 0 HA PRO A 103 9.525 -13.743 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 103 10.602 -14.194 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.503 -13.324 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.882 -12.231 -1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.454 -11.717 -1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.202 -10.352 -2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.545 -10.468 -3.383 1.00 0.00 H new ATOM 1623 N PHE A 104 8.561 -15.376 -2.645 1.00 0.00 N ATOM 1624 CA PHE A 104 7.583 -16.276 -2.043 1.00 0.00 C ATOM 1625 C PHE A 104 6.940 -15.642 -0.814 1.00 0.00 C ATOM 1626 O PHE A 104 7.581 -15.487 0.225 1.00 0.00 O ATOM 1627 CB PHE A 104 8.249 -17.599 -1.659 1.00 0.00 C ATOM 1628 CG PHE A 104 7.271 -18.688 -1.321 1.00 0.00 C ATOM 1629 CD1 PHE A 104 6.404 -19.184 -2.284 1.00 0.00 C ATOM 1630 CD2 PHE A 104 7.217 -19.217 -0.041 1.00 0.00 C ATOM 1631 CE1 PHE A 104 5.504 -20.186 -1.974 1.00 0.00 C ATOM 1632 CE2 PHE A 104 6.319 -20.219 0.273 1.00 0.00 C ATOM 1633 CZ PHE A 104 5.461 -20.704 -0.695 1.00 0.00 C ATOM 0 H PHE A 104 9.496 -15.772 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 104 6.802 -16.468 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.880 -17.931 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.904 -17.432 -0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.433 -18.783 -3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.885 -18.841 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.834 -20.564 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.288 -20.623 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.758 -21.487 -0.452 1.00 0.00 H new ATOM 1643 N SER A 105 5.668 -15.276 -0.940 1.00 0.00 N ATOM 1644 CA SER A 105 4.932 -14.659 0.159 1.00 0.00 C ATOM 1645 C SER A 105 5.519 -13.295 0.514 1.00 0.00 C ATOM 1646 O SER A 105 6.647 -12.976 0.137 1.00 0.00 O ATOM 1647 CB SER A 105 4.946 -15.569 1.389 1.00 0.00 C ATOM 1648 OG SER A 105 4.462 -16.862 1.074 1.00 0.00 O ATOM 0 H SER A 105 5.124 -15.396 -1.794 1.00 0.00 H new ATOM 0 HA SER A 105 3.901 -14.517 -0.166 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.961 -15.643 1.779 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.333 -15.130 2.176 1.00 0.00 H new ATOM 0 HG SER A 105 4.483 -17.424 1.877 1.00 0.00 H new ATOM 1654 N VAL A 106 4.743 -12.497 1.240 1.00 0.00 N ATOM 1655 CA VAL A 106 5.179 -11.165 1.649 1.00 0.00 C ATOM 1656 C VAL A 106 5.901 -11.210 2.994 1.00 0.00 C ATOM 1657 O VAL A 106 5.611 -10.420 3.895 1.00 0.00 O ATOM 1658 CB VAL A 106 3.983 -10.193 1.738 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.285 -10.081 0.391 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.006 -10.633 2.820 1.00 0.00 C ATOM 0 H VAL A 106 3.807 -12.749 1.558 1.00 0.00 H new ATOM 0 HA VAL A 106 5.872 -10.805 0.889 1.00 0.00 H new ATOM 0 HB VAL A 106 4.363 -9.208 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.445 -9.392 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.989 -9.709 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.921 -11.062 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.172 -9.933 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.631 -11.630 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.515 -10.652 3.784 1.00 0.00 H new ATOM 1670 N GLU A 107 6.859 -12.127 3.119 1.00 0.00 N ATOM 1671 CA GLU A 107 7.630 -12.259 4.345 1.00 0.00 C ATOM 1672 C GLU A 107 8.595 -11.088 4.477 1.00 0.00 C ATOM 1673 O GLU A 107 8.493 -10.289 5.408 1.00 0.00 O ATOM 1674 CB GLU A 107 8.392 -13.588 4.343 1.00 0.00 C ATOM 1675 CG GLU A 107 9.476 -13.677 5.402 1.00 0.00 C ATOM 1676 CD GLU A 107 9.435 -14.981 6.174 1.00 0.00 C ATOM 1677 OE1 GLU A 107 8.724 -15.043 7.198 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.116 -15.941 5.754 1.00 0.00 O ATOM 0 H GLU A 107 7.116 -12.787 2.385 1.00 0.00 H new ATOM 0 HA GLU A 107 6.953 -12.250 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.683 -14.402 4.493 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.843 -13.735 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.451 -13.571 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.368 -12.845 6.097 1.00 0.00 H new ATOM 1685 N ARG A 108 9.518 -10.975 3.524 1.00 0.00 N ATOM 1686 CA ARG A 108 10.480 -9.880 3.526 1.00 0.00 C ATOM 1687 C ARG A 108 9.741 -8.547 3.570 1.00 0.00 C ATOM 1688 O ARG A 108 10.239 -7.560 4.112 1.00 0.00 O ATOM 1689 CB ARG A 108 11.375 -9.949 2.285 1.00 0.00 C ATOM 1690 CG ARG A 108 12.861 -9.890 2.603 1.00 0.00 C ATOM 1691 CD ARG A 108 13.423 -11.270 2.903 1.00 0.00 C ATOM 1692 NE ARG A 108 14.199 -11.799 1.784 1.00 0.00 N ATOM 1693 CZ ARG A 108 15.451 -11.438 1.514 1.00 0.00 C ATOM 1694 NH1 ARG A 108 16.071 -10.545 2.275 1.00 0.00 N ATOM 1695 NH2 ARG A 108 16.086 -11.972 0.478 1.00 0.00 N ATOM 0 H ARG A 108 9.618 -11.626 2.745 1.00 0.00 H new ATOM 0 HA ARG A 108 11.112 -9.968 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.164 -10.872 1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.122 -9.125 1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 108 13.397 -9.453 1.760 1.00 0.00 H new ATOM 0 HG3 ARG A 108 13.025 -9.235 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.054 -11.220 3.790 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.605 -11.953 3.132 1.00 0.00 H new ATOM 0 HE ARG A 108 13.755 -12.485 1.174 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.588 -10.131 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 108 17.031 -10.273 2.063 1.00 0.00 H new ATOM 0 HH21 ARG A 108 15.614 -12.659 -0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.046 -11.696 0.270 1.00 0.00 H new ATOM 1709 N PHE A 109 8.535 -8.542 3.008 1.00 0.00 N ATOM 1710 CA PHE A 109 7.697 -7.353 2.987 1.00 0.00 C ATOM 1711 C PHE A 109 7.366 -6.924 4.411 1.00 0.00 C ATOM 1712 O PHE A 109 7.429 -5.741 4.749 1.00 0.00 O ATOM 1713 CB PHE A 109 6.409 -7.641 2.207 1.00 0.00 C ATOM 1714 CG PHE A 109 5.364 -6.566 2.332 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.591 -5.299 1.822 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.156 -6.824 2.962 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.635 -4.308 1.936 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.196 -5.836 3.079 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.436 -4.577 2.565 1.00 0.00 C ATOM 0 H PHE A 109 8.116 -9.356 2.559 1.00 0.00 H new ATOM 0 HA PHE A 109 8.236 -6.543 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.656 -7.772 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.989 -8.584 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.527 -5.083 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.963 -7.807 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.826 -3.324 1.533 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.259 -6.049 3.572 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.687 -3.804 2.655 1.00 0.00 H new ATOM 1729 N LEU A 110 7.017 -7.901 5.243 1.00 0.00 N ATOM 1730 CA LEU A 110 6.678 -7.642 6.636 1.00 0.00 C ATOM 1731 C LEU A 110 7.771 -6.838 7.337 1.00 0.00 C ATOM 1732 O LEU A 110 7.493 -6.057 8.246 1.00 0.00 O ATOM 1733 CB LEU A 110 6.444 -8.957 7.364 1.00 0.00 C ATOM 1734 CG LEU A 110 5.008 -9.181 7.826 1.00 0.00 C ATOM 1735 CD1 LEU A 110 4.881 -10.525 8.516 1.00 0.00 C ATOM 1736 CD2 LEU A 110 4.564 -8.058 8.752 1.00 0.00 C ATOM 0 H LEU A 110 6.962 -8.883 4.974 1.00 0.00 H new ATOM 0 HA LEU A 110 5.764 -7.049 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.732 -9.777 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.102 -8.998 8.232 1.00 0.00 H new ATOM 0 HG LEU A 110 4.357 -9.179 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.851 -10.671 8.841 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.159 -11.318 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.542 -10.553 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.537 -8.235 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.216 -8.027 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.621 -7.107 8.223 1.00 0.00 H new ATOM 1748 N LEU A 111 9.016 -7.036 6.909 1.00 0.00 N ATOM 1749 CA LEU A 111 10.146 -6.328 7.500 1.00 0.00 C ATOM 1750 C LEU A 111 10.255 -4.913 6.946 1.00 0.00 C ATOM 1751 O LEU A 111 10.617 -3.981 7.662 1.00 0.00 O ATOM 1752 CB LEU A 111 11.447 -7.091 7.246 1.00 0.00 C ATOM 1753 CG LEU A 111 11.523 -8.477 7.892 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.206 -9.560 6.872 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.896 -8.707 8.504 1.00 0.00 C ATOM 0 H LEU A 111 9.266 -7.679 6.158 1.00 0.00 H new ATOM 0 HA LEU A 111 9.976 -6.264 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.582 -7.201 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.280 -6.490 7.612 1.00 0.00 H new ATOM 0 HG LEU A 111 10.780 -8.525 8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.265 -10.538 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.200 -9.408 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.925 -9.511 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.931 -9.697 8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.657 -8.637 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.086 -7.951 9.266 1.00 0.00 H new ATOM 1767 N THR A 112 9.942 -4.748 5.669 1.00 0.00 N ATOM 1768 CA THR A 112 10.003 -3.433 5.046 1.00 0.00 C ATOM 1769 C THR A 112 8.901 -2.543 5.609 1.00 0.00 C ATOM 1770 O THR A 112 9.088 -1.341 5.798 1.00 0.00 O ATOM 1771 CB THR A 112 9.859 -3.559 3.528 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.931 -4.306 2.982 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.822 -2.223 2.816 1.00 0.00 C ATOM 0 H THR A 112 9.646 -5.501 5.048 1.00 0.00 H new ATOM 0 HA THR A 112 10.970 -2.981 5.266 1.00 0.00 H new ATOM 0 HB THR A 112 8.905 -4.063 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.602 -3.694 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.719 -2.385 1.743 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.975 -1.641 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.746 -1.680 3.013 1.00 0.00 H new ATOM 1781 N ILE A 113 7.749 -3.152 5.866 1.00 0.00 N ATOM 1782 CA ILE A 113 6.596 -2.438 6.399 1.00 0.00 C ATOM 1783 C ILE A 113 6.836 -1.943 7.824 1.00 0.00 C ATOM 1784 O ILE A 113 6.618 -0.769 8.120 1.00 0.00 O ATOM 1785 CB ILE A 113 5.334 -3.331 6.377 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.584 -3.158 5.055 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.421 -3.018 7.557 1.00 0.00 C ATOM 1788 CD1 ILE A 113 4.024 -1.767 4.855 1.00 0.00 C ATOM 0 H ILE A 113 7.589 -4.147 5.712 1.00 0.00 H new ATOM 0 HA ILE A 113 6.442 -1.572 5.755 1.00 0.00 H new ATOM 0 HB ILE A 113 5.651 -4.370 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.258 -3.391 4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.768 -3.879 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.541 -3.660 7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.957 -3.195 8.489 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.110 -1.974 7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.506 -1.718 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.324 -1.537 5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.838 -1.042 4.865 1.00 0.00 H new ATOM 1800 N LYS A 114 7.264 -2.843 8.711 1.00 0.00 N ATOM 1801 CA LYS A 114 7.502 -2.474 10.102 1.00 0.00 C ATOM 1802 C LYS A 114 8.312 -1.191 10.176 1.00 0.00 C ATOM 1803 O LYS A 114 7.882 -0.205 10.773 1.00 0.00 O ATOM 1804 CB LYS A 114 8.200 -3.597 10.865 1.00 0.00 C ATOM 1805 CG LYS A 114 9.314 -4.242 10.089 1.00 0.00 C ATOM 1806 CD LYS A 114 10.640 -4.151 10.835 1.00 0.00 C ATOM 1807 CE LYS A 114 11.801 -4.660 9.998 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.974 -5.027 10.839 1.00 0.00 N ATOM 0 H LYS A 114 7.450 -3.822 8.492 1.00 0.00 H new ATOM 0 HA LYS A 114 6.535 -2.306 10.576 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.600 -3.199 11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 114 7.465 -4.357 11.132 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.071 -5.288 9.903 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.409 -3.759 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.825 -3.115 11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.577 -4.729 11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.480 -5.529 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.094 -3.894 9.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.744 -5.369 10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.296 -4.192 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.702 -5.776 11.507 1.00 0.00 H new ATOM 1822 N HIS A 115 9.485 -1.207 9.556 1.00 0.00 N ATOM 1823 CA HIS A 115 10.355 -0.039 9.542 1.00 0.00 C ATOM 1824 C HIS A 115 9.635 1.166 8.946 1.00 0.00 C ATOM 1825 O HIS A 115 9.843 2.299 9.376 1.00 0.00 O ATOM 1826 CB HIS A 115 11.622 -0.336 8.747 1.00 0.00 C ATOM 1827 CG HIS A 115 12.866 0.212 9.376 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.946 0.660 8.645 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.199 0.381 10.678 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.888 1.082 9.470 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.460 0.923 10.708 1.00 0.00 N ATOM 0 H HIS A 115 9.855 -2.016 9.057 1.00 0.00 H new ATOM 0 HA HIS A 115 10.627 0.196 10.571 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.726 -1.415 8.635 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.518 0.080 7.745 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.587 0.135 11.533 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.846 1.488 9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.982 1.164 11.551 1.00 0.00 H new ATOM 1840 N ALA A 116 8.777 0.911 7.961 1.00 0.00 N ATOM 1841 CA ALA A 116 8.020 1.978 7.315 1.00 0.00 C ATOM 1842 C ALA A 116 7.244 2.787 8.347 1.00 0.00 C ATOM 1843 O ALA A 116 7.041 3.991 8.187 1.00 0.00 O ATOM 1844 CB ALA A 116 7.074 1.398 6.274 1.00 0.00 C ATOM 0 H ALA A 116 8.590 -0.022 7.594 1.00 0.00 H new ATOM 0 HA ALA A 116 8.722 2.645 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.516 2.205 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.649 0.862 5.519 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.379 0.711 6.757 1.00 0.00 H new ATOM 1850 N PHE A 117 6.814 2.113 9.409 1.00 0.00 N ATOM 1851 CA PHE A 117 6.061 2.756 10.476 1.00 0.00 C ATOM 1852 C PHE A 117 6.972 3.614 11.351 1.00 0.00 C ATOM 1853 O PHE A 117 6.641 4.754 11.677 1.00 0.00 O ATOM 1854 CB PHE A 117 5.365 1.697 11.332 1.00 0.00 C ATOM 1855 CG PHE A 117 4.053 1.239 10.764 1.00 0.00 C ATOM 1856 CD1 PHE A 117 4.002 0.219 9.826 1.00 0.00 C ATOM 1857 CD2 PHE A 117 2.870 1.830 11.171 1.00 0.00 C ATOM 1858 CE1 PHE A 117 2.793 -0.200 9.306 1.00 0.00 C ATOM 1859 CE2 PHE A 117 1.659 1.417 10.654 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.619 0.401 9.721 1.00 0.00 C ATOM 0 H PHE A 117 6.976 1.116 9.552 1.00 0.00 H new ATOM 0 HA PHE A 117 5.313 3.406 10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.026 0.837 11.441 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.199 2.100 12.331 1.00 0.00 H new ATOM 0 HD1 PHE A 117 4.917 -0.253 9.499 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.895 2.624 11.902 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.765 -0.996 8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.743 1.888 10.979 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.672 0.076 9.316 1.00 0.00 H new ATOM 1870 N GLU A 118 8.118 3.057 11.732 1.00 0.00 N ATOM 1871 CA GLU A 118 9.074 3.772 12.575 1.00 0.00 C ATOM 1872 C GLU A 118 10.063 4.586 11.741 1.00 0.00 C ATOM 1873 O GLU A 118 11.017 5.148 12.277 1.00 0.00 O ATOM 1874 CB GLU A 118 9.834 2.785 13.463 1.00 0.00 C ATOM 1875 CG GLU A 118 8.940 1.759 14.139 1.00 0.00 C ATOM 1876 CD GLU A 118 9.638 1.034 15.273 1.00 0.00 C ATOM 1877 OE1 GLU A 118 10.256 1.712 16.121 1.00 0.00 O ATOM 1878 OE2 GLU A 118 9.567 -0.212 15.311 1.00 0.00 O ATOM 0 H GLU A 118 8.408 2.114 11.471 1.00 0.00 H new ATOM 0 HA GLU A 118 8.510 4.465 13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.577 2.265 12.859 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.377 3.341 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.050 2.256 14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.605 1.032 13.400 1.00 0.00 H new ATOM 1885 N GLU A 119 9.835 4.647 10.430 1.00 0.00 N ATOM 1886 CA GLU A 119 10.714 5.398 9.539 1.00 0.00 C ATOM 1887 C GLU A 119 9.972 6.541 8.851 1.00 0.00 C ATOM 1888 O GLU A 119 10.583 7.374 8.183 1.00 0.00 O ATOM 1889 CB GLU A 119 11.324 4.470 8.489 1.00 0.00 C ATOM 1890 CG GLU A 119 12.317 3.471 9.061 1.00 0.00 C ATOM 1891 CD GLU A 119 13.725 3.681 8.536 1.00 0.00 C ATOM 1892 OE1 GLU A 119 14.003 3.255 7.395 1.00 0.00 O ATOM 1893 OE2 GLU A 119 14.548 4.274 9.265 1.00 0.00 O ATOM 0 H GLU A 119 9.053 4.187 9.964 1.00 0.00 H new ATOM 0 HA GLU A 119 11.509 5.828 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.523 3.927 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.824 5.072 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.323 3.552 10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 119 11.990 2.460 8.818 1.00 0.00 H new ATOM 1900 N TYR A 120 8.654 6.575 9.015 1.00 0.00 N ATOM 1901 CA TYR A 120 7.838 7.613 8.404 1.00 0.00 C ATOM 1902 C TYR A 120 6.562 7.848 9.212 1.00 0.00 C ATOM 1903 O TYR A 120 5.466 7.490 8.781 1.00 0.00 O ATOM 1904 CB TYR A 120 7.491 7.228 6.966 1.00 0.00 C ATOM 1905 CG TYR A 120 7.689 8.349 5.972 1.00 0.00 C ATOM 1906 CD1 TYR A 120 6.742 9.355 5.833 1.00 0.00 C ATOM 1907 CD2 TYR A 120 8.825 8.402 5.174 1.00 0.00 C ATOM 1908 CE1 TYR A 120 6.921 10.383 4.926 1.00 0.00 C ATOM 1909 CE2 TYR A 120 9.012 9.426 4.266 1.00 0.00 C ATOM 1910 CZ TYR A 120 8.057 10.414 4.144 1.00 0.00 C ATOM 1911 OH TYR A 120 8.239 11.435 3.241 1.00 0.00 O ATOM 0 H TYR A 120 8.130 5.895 9.566 1.00 0.00 H new ATOM 0 HA TYR A 120 8.410 8.541 8.395 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.105 6.378 6.669 1.00 0.00 H new ATOM 0 HB3 TYR A 120 6.452 6.900 6.928 1.00 0.00 H new ATOM 0 HD1 TYR A 120 5.851 9.334 6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 120 9.574 7.630 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.175 11.158 4.830 1.00 0.00 H new ATOM 0 HE2 TYR A 120 9.902 9.453 3.654 1.00 0.00 H new ATOM 0 HH TYR A 120 9.090 11.309 2.771 1.00 0.00 H new ATOM 1921 N SER A 121 6.715 8.450 10.387 1.00 0.00 N ATOM 1922 CA SER A 121 5.577 8.731 11.255 1.00 0.00 C ATOM 1923 C SER A 121 5.908 9.847 12.241 1.00 0.00 C ATOM 1924 O SER A 121 5.343 9.911 13.333 1.00 0.00 O ATOM 1925 CB SER A 121 5.166 7.468 12.013 1.00 0.00 C ATOM 1926 OG SER A 121 6.071 7.186 13.066 1.00 0.00 O ATOM 0 H SER A 121 7.615 8.752 10.760 1.00 0.00 H new ATOM 0 HA SER A 121 4.746 9.059 10.631 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.161 7.594 12.417 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.130 6.623 11.325 1.00 0.00 H new ATOM 0 HG SER A 121 6.513 6.328 12.896 1.00 0.00 H new TER 1932 SER A 121