USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 725 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 74 THR OG1 : rot 101:sc= 1.19 USER MOD Set 1.2: A 78 SER OG : rot 143:sc= 0.213! USER MOD Set 2.1: A 77 LYS NZ :NH3+ -109:sc= -2.18! (180deg=-4.48!) USER MOD Set 2.2: A 82 CYS SG : rot 175:sc= -2.21! USER MOD Set 3.1: A 44 GLN :FLIP amide:sc= -4.56! C(o=-6!,f=-4.1!) USER MOD Set 3.2: A 48 THR OG1 : rot 136:sc= -0.181 USER MOD Set 3.3: A 51 CYS SG : rot -156:sc= 0.598 USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= -0.0103 X(o=-1,f=-0.65) USER MOD Set 4.2: A 106 HIS : no HD1:sc= -0.636 X(o=-0.65,f=-0.66) USER MOD Set 5.1: A 11 MET CE :methyl -174:sc= -2.52 (180deg=-0.0804) USER MOD Set 5.2: A 65 TYR OH : rot 160:sc= -2.59 USER MOD Set 5.3: A 69 MET CE :methyl -148:sc= -6.07! (180deg=-1.52) USER MOD Set 5.4: A 79 CYS SG : rot -144:sc= -1.78 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0.777! (180deg=-1.96!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -6.82! C(o=-6.8!,f=-16!) USER MOD Single : A 22 HIS :FLIP no HE2:sc= -1.71 F(o=-5.2!,f=-1.7) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 25 HIS : no HE2:sc= -9.6! C(o=-9.6!,f=-16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -1.74 X(o=-1.7,f=-2) USER MOD Single : A 35 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-6.5!) USER MOD Single : A 43 TYR OH : rot 48:sc= 0.245 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 180:sc= 0.097 USER MOD Single : A 52 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.0096) USER MOD Single : A 54 ASN :FLIP amide:sc= -0.117 F(o=-1.2,f=-0.12) USER MOD Single : A 55 MET CE :methyl 141:sc= -8.14! (180deg=-10.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -10.6! C(o=-11!,f=-16!) USER MOD Single : A 70 HIS : no HD1:sc= -3.11 K(o=-3.1,f=-9.5!) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= 0.29 (180deg=-0.029) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-14!) USER MOD Single : A 86 THR OG1 : rot 92:sc= 0.159 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 56:sc= -0.355! USER MOD Single : A 100 CYS SG : rot 180:sc= 0.222 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -149:sc= 0.734 USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= -0.0118 (180deg=-0.254) USER MOD Single : A 105 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N PRO A 2 17.772 12.124 2.747 1.00 0.00 N ATOM 14 CA PRO A 2 16.591 12.038 3.641 1.00 0.00 C ATOM 15 C PRO A 2 16.864 11.088 4.806 1.00 0.00 C ATOM 16 O PRO A 2 17.488 10.058 4.648 1.00 0.00 O ATOM 17 CB PRO A 2 15.499 11.472 2.740 1.00 0.00 C ATOM 18 CG PRO A 2 16.227 10.734 1.662 1.00 0.00 C ATOM 19 CD PRO A 2 17.561 11.413 1.482 1.00 0.00 C ATOM 0 HA PRO A 2 16.326 12.998 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.836 10.808 3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.879 12.267 2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.361 9.687 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.658 10.750 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.355 10.690 1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.548 12.100 0.636 1.00 0.00 H new ATOM 27 N LYS A 3 16.386 11.417 5.974 1.00 0.00 N ATOM 28 CA LYS A 3 16.608 10.520 7.139 1.00 0.00 C ATOM 29 C LYS A 3 15.347 9.712 7.417 1.00 0.00 C ATOM 30 O LYS A 3 14.508 10.090 8.210 1.00 0.00 O ATOM 31 CB LYS A 3 16.907 11.433 8.314 1.00 0.00 C ATOM 32 CG LYS A 3 17.874 12.536 7.880 1.00 0.00 C ATOM 33 CD LYS A 3 18.378 13.287 9.115 1.00 0.00 C ATOM 34 CE LYS A 3 19.593 14.137 8.736 1.00 0.00 C ATOM 35 NZ LYS A 3 20.099 14.679 10.027 1.00 0.00 N ATOM 0 H LYS A 3 15.854 12.265 6.170 1.00 0.00 H new ATOM 0 HA LYS A 3 17.421 9.817 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 3 15.983 11.873 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.340 10.858 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.714 12.105 7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 3 17.374 13.226 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.587 13.922 9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 18.646 12.579 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 3 20.353 13.538 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.316 14.939 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 20.934 15.274 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 19.356 15.250 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 20.361 13.892 10.655 1.00 0.00 H new ATOM 49 N ALA A 4 15.214 8.604 6.763 1.00 0.00 N ATOM 50 CA ALA A 4 14.011 7.746 6.966 1.00 0.00 C ATOM 51 C ALA A 4 13.630 7.714 8.448 1.00 0.00 C ATOM 52 O ALA A 4 14.484 7.622 9.308 1.00 0.00 O ATOM 53 CB ALA A 4 14.430 6.355 6.491 1.00 0.00 C ATOM 0 H ALA A 4 15.890 8.246 6.088 1.00 0.00 H new ATOM 0 HA ALA A 4 13.143 8.117 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.596 5.664 6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.718 6.401 5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 4 15.276 6.007 7.084 1.00 0.00 H new ATOM 59 N PRO A 5 12.351 7.792 8.695 1.00 0.00 N ATOM 60 CA PRO A 5 11.846 7.771 10.080 1.00 0.00 C ATOM 61 C PRO A 5 11.863 6.352 10.645 1.00 0.00 C ATOM 62 O PRO A 5 11.932 5.380 9.919 1.00 0.00 O ATOM 63 CB PRO A 5 10.426 8.315 9.957 1.00 0.00 C ATOM 64 CG PRO A 5 10.014 8.070 8.534 1.00 0.00 C ATOM 65 CD PRO A 5 11.272 7.902 7.711 1.00 0.00 C ATOM 0 HA PRO A 5 12.455 8.360 10.766 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.753 7.811 10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.393 9.378 10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.390 7.179 8.465 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.421 8.904 8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.218 7.013 7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.427 8.753 7.047 1.00 0.00 H new ATOM 73 N ALA A 6 11.821 6.234 11.941 1.00 0.00 N ATOM 74 CA ALA A 6 11.853 4.893 12.576 1.00 0.00 C ATOM 75 C ALA A 6 10.709 4.026 12.062 1.00 0.00 C ATOM 76 O ALA A 6 9.658 4.510 11.691 1.00 0.00 O ATOM 77 CB ALA A 6 11.690 5.161 14.072 1.00 0.00 C ATOM 0 H ALA A 6 11.765 7.017 12.592 1.00 0.00 H new ATOM 0 HA ALA A 6 12.775 4.357 12.352 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.703 4.216 14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.509 5.791 14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.742 5.668 14.250 1.00 0.00 H new ATOM 83 N ASP A 7 10.910 2.744 12.053 1.00 0.00 N ATOM 84 CA ASP A 7 9.848 1.820 11.583 1.00 0.00 C ATOM 85 C ASP A 7 8.634 1.940 12.499 1.00 0.00 C ATOM 86 O ASP A 7 8.722 2.427 13.609 1.00 0.00 O ATOM 87 CB ASP A 7 10.459 0.423 11.689 1.00 0.00 C ATOM 88 CG ASP A 7 11.885 0.442 11.135 1.00 0.00 C ATOM 89 OD1 ASP A 7 12.132 1.202 10.214 1.00 0.00 O ATOM 90 OD2 ASP A 7 12.707 -0.304 11.642 1.00 0.00 O ATOM 0 H ASP A 7 11.773 2.291 12.354 1.00 0.00 H new ATOM 0 HA ASP A 7 9.519 2.039 10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.467 0.097 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.852 -0.293 11.135 1.00 0.00 H new ATOM 95 N GLY A 8 7.506 1.499 12.044 1.00 0.00 N ATOM 96 CA GLY A 8 6.279 1.579 12.881 1.00 0.00 C ATOM 97 C GLY A 8 5.424 2.762 12.435 1.00 0.00 C ATOM 98 O GLY A 8 4.508 3.171 13.123 1.00 0.00 O ATOM 0 H GLY A 8 7.375 1.083 11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.709 0.654 12.796 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.551 1.690 13.931 1.00 0.00 H new ATOM 102 N LEU A 9 5.701 3.311 11.285 1.00 0.00 N ATOM 103 CA LEU A 9 4.884 4.458 10.805 1.00 0.00 C ATOM 104 C LEU A 9 3.443 4.008 10.650 1.00 0.00 C ATOM 105 O LEU A 9 3.159 3.026 10.001 1.00 0.00 O ATOM 106 CB LEU A 9 5.465 4.850 9.452 1.00 0.00 C ATOM 107 CG LEU A 9 5.792 6.340 9.470 1.00 0.00 C ATOM 108 CD1 LEU A 9 7.040 6.589 8.626 1.00 0.00 C ATOM 109 CD2 LEU A 9 4.622 7.137 8.890 1.00 0.00 C ATOM 0 H LEU A 9 6.453 3.017 10.661 1.00 0.00 H new ATOM 0 HA LEU A 9 4.904 5.299 11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.364 4.269 9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.752 4.630 8.657 1.00 0.00 H new ATOM 0 HG LEU A 9 5.968 6.659 10.497 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.279 7.652 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.877 6.026 9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.856 6.267 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.862 8.200 8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.441 6.821 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.728 6.958 9.488 1.00 0.00 H new ATOM 121 N LYS A 10 2.532 4.705 11.248 1.00 0.00 N ATOM 122 CA LYS A 10 1.109 4.284 11.137 1.00 0.00 C ATOM 123 C LYS A 10 0.380 5.084 10.061 1.00 0.00 C ATOM 124 O LYS A 10 0.139 6.267 10.199 1.00 0.00 O ATOM 125 CB LYS A 10 0.495 4.551 12.505 1.00 0.00 C ATOM 126 CG LYS A 10 0.395 3.236 13.281 1.00 0.00 C ATOM 127 CD LYS A 10 -0.652 3.374 14.388 1.00 0.00 C ATOM 128 CE LYS A 10 -1.517 2.112 14.432 1.00 0.00 C ATOM 129 NZ LYS A 10 -2.454 2.328 15.569 1.00 0.00 N ATOM 0 H LYS A 10 2.702 5.542 11.806 1.00 0.00 H new ATOM 0 HA LYS A 10 1.028 3.235 10.851 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.105 5.266 13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.494 4.996 12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.122 2.424 12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.363 2.981 13.712 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.162 3.526 15.350 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.276 4.249 14.206 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.058 1.971 13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.908 1.221 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.081 1.504 15.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.911 2.452 16.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.025 3.179 15.391 1.00 0.00 H new ATOM 143 N MET A 11 0.003 4.429 9.003 1.00 0.00 N ATOM 144 CA MET A 11 -0.744 5.120 7.918 1.00 0.00 C ATOM 145 C MET A 11 -2.226 5.115 8.277 1.00 0.00 C ATOM 146 O MET A 11 -2.937 4.181 7.979 1.00 0.00 O ATOM 147 CB MET A 11 -0.486 4.282 6.664 1.00 0.00 C ATOM 148 CG MET A 11 0.815 4.734 6.002 1.00 0.00 C ATOM 149 SD MET A 11 1.505 3.368 5.035 1.00 0.00 S ATOM 150 CE MET A 11 0.647 3.730 3.483 1.00 0.00 C ATOM 0 H MET A 11 0.181 3.438 8.841 1.00 0.00 H new ATOM 0 HA MET A 11 -0.437 6.155 7.770 1.00 0.00 H new ATOM 0 HB2 MET A 11 -0.424 3.226 6.927 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.317 4.389 5.966 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.628 5.593 5.357 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.529 5.054 6.760 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.847 2.937 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.426 3.792 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.002 4.680 3.084 1.00 0.00 H new ATOM 160 N ASP A 12 -2.691 6.135 8.945 1.00 0.00 N ATOM 161 CA ASP A 12 -4.127 6.164 9.351 1.00 0.00 C ATOM 162 C ASP A 12 -4.922 7.145 8.495 1.00 0.00 C ATOM 163 O ASP A 12 -6.001 7.571 8.858 1.00 0.00 O ATOM 164 CB ASP A 12 -4.114 6.619 10.806 1.00 0.00 C ATOM 165 CG ASP A 12 -3.152 7.798 10.971 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.071 8.602 10.058 1.00 0.00 O ATOM 167 OD2 ASP A 12 -2.514 7.874 12.008 1.00 0.00 O ATOM 0 H ASP A 12 -2.142 6.947 9.227 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.601 5.191 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.118 6.911 11.114 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.809 5.795 11.452 1.00 0.00 H new ATOM 172 N LYS A 13 -4.405 7.500 7.362 1.00 0.00 N ATOM 173 CA LYS A 13 -5.134 8.447 6.477 1.00 0.00 C ATOM 174 C LYS A 13 -6.580 7.985 6.288 1.00 0.00 C ATOM 175 O LYS A 13 -7.478 8.778 6.087 1.00 0.00 O ATOM 176 CB LYS A 13 -4.379 8.381 5.156 1.00 0.00 C ATOM 177 CG LYS A 13 -3.081 9.178 5.277 1.00 0.00 C ATOM 178 CD LYS A 13 -3.407 10.656 5.496 1.00 0.00 C ATOM 179 CE LYS A 13 -2.116 11.476 5.447 1.00 0.00 C ATOM 180 NZ LYS A 13 -2.554 12.864 5.126 1.00 0.00 N ATOM 0 H LYS A 13 -3.506 7.176 7.005 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.176 9.457 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.160 7.344 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.994 8.785 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.486 8.799 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.482 9.057 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.101 11.004 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.900 10.792 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.588 11.439 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.433 11.092 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.315 13.084 4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.582 12.943 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.070 13.535 5.756 1.00 0.00 H new ATOM 194 N THR A 14 -6.805 6.704 6.349 1.00 0.00 N ATOM 195 CA THR A 14 -8.192 6.173 6.170 1.00 0.00 C ATOM 196 C THR A 14 -8.681 5.494 7.451 1.00 0.00 C ATOM 197 O THR A 14 -8.048 5.562 8.485 1.00 0.00 O ATOM 198 CB THR A 14 -8.086 5.143 5.045 1.00 0.00 C ATOM 199 OG1 THR A 14 -7.165 4.128 5.419 1.00 0.00 O ATOM 200 CG2 THR A 14 -7.604 5.823 3.764 1.00 0.00 C ATOM 0 H THR A 14 -6.089 5.996 6.515 1.00 0.00 H new ATOM 0 HA THR A 14 -8.899 6.970 5.939 1.00 0.00 H new ATOM 0 HB THR A 14 -9.066 4.700 4.869 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.097 3.466 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.530 5.085 2.966 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.312 6.600 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.625 6.271 3.936 1.00 0.00 H new ATOM 208 N LYS A 15 -9.804 4.828 7.382 1.00 0.00 N ATOM 209 CA LYS A 15 -10.337 4.129 8.585 1.00 0.00 C ATOM 210 C LYS A 15 -9.492 2.890 8.873 1.00 0.00 C ATOM 211 O LYS A 15 -9.432 2.407 9.987 1.00 0.00 O ATOM 212 CB LYS A 15 -11.765 3.731 8.213 1.00 0.00 C ATOM 213 CG LYS A 15 -12.746 4.760 8.776 1.00 0.00 C ATOM 214 CD LYS A 15 -13.505 5.425 7.626 1.00 0.00 C ATOM 215 CE LYS A 15 -14.704 6.197 8.181 1.00 0.00 C ATOM 216 NZ LYS A 15 -14.349 7.633 8.008 1.00 0.00 N ATOM 0 H LYS A 15 -10.375 4.739 6.542 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.313 4.753 9.478 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.866 3.672 7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.993 2.741 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.447 4.276 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.209 5.512 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.844 6.101 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.843 4.671 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.618 5.948 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.877 5.957 9.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.123 8.228 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -13.479 7.842 8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.196 7.834 6.999 1.00 0.00 H new ATOM 230 N GLN A 16 -8.829 2.377 7.872 1.00 0.00 N ATOM 231 CA GLN A 16 -7.973 1.176 8.074 1.00 0.00 C ATOM 232 C GLN A 16 -6.504 1.602 8.112 1.00 0.00 C ATOM 233 O GLN A 16 -5.816 1.546 7.113 1.00 0.00 O ATOM 234 CB GLN A 16 -8.246 0.284 6.862 1.00 0.00 C ATOM 235 CG GLN A 16 -9.270 -0.789 7.238 1.00 0.00 C ATOM 236 CD GLN A 16 -9.035 -2.040 6.389 1.00 0.00 C ATOM 237 OE1 GLN A 16 -8.840 -1.917 5.105 1.00 0.00 O flip ATOM 238 NE2 GLN A 16 -9.028 -3.142 6.901 1.00 0.00 N flip ATOM 0 H GLN A 16 -8.844 2.741 6.919 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.187 0.657 9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.620 0.884 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.321 -0.183 6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.184 -1.034 8.297 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.281 -0.413 7.079 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.180 -3.239 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.870 -3.970 6.327 1.00 0.00 H new ATOM 247 N PRO A 17 -6.079 2.030 9.269 1.00 0.00 N ATOM 248 CA PRO A 17 -4.680 2.494 9.446 1.00 0.00 C ATOM 249 C PRO A 17 -3.690 1.334 9.310 1.00 0.00 C ATOM 250 O PRO A 17 -3.895 0.260 9.841 1.00 0.00 O ATOM 251 CB PRO A 17 -4.670 3.064 10.864 1.00 0.00 C ATOM 252 CG PRO A 17 -5.795 2.370 11.560 1.00 0.00 C ATOM 253 CD PRO A 17 -6.848 2.119 10.514 1.00 0.00 C ATOM 0 HA PRO A 17 -4.378 3.223 8.694 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.719 2.873 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -4.815 4.144 10.858 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.458 1.434 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.190 2.984 12.369 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.399 1.200 10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.578 2.927 10.478 1.00 0.00 H new ATOM 261 N VAL A 18 -2.616 1.550 8.598 1.00 0.00 N ATOM 262 CA VAL A 18 -1.606 0.476 8.417 1.00 0.00 C ATOM 263 C VAL A 18 -0.228 0.966 8.875 1.00 0.00 C ATOM 264 O VAL A 18 0.197 2.052 8.537 1.00 0.00 O ATOM 265 CB VAL A 18 -1.600 0.205 6.916 1.00 0.00 C ATOM 266 CG1 VAL A 18 -0.345 -0.584 6.552 1.00 0.00 C ATOM 267 CG2 VAL A 18 -2.842 -0.604 6.536 1.00 0.00 C ATOM 0 H VAL A 18 -2.397 2.431 8.133 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.836 -0.417 8.998 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.607 1.151 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.337 -0.780 5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.539 -0.006 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.340 -1.530 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.836 -0.797 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.838 -1.551 7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.737 -0.041 6.799 1.00 0.00 H new ATOM 277 N VAL A 19 0.472 0.174 9.637 1.00 0.00 N ATOM 278 CA VAL A 19 1.820 0.600 10.106 1.00 0.00 C ATOM 279 C VAL A 19 2.879 0.263 9.049 1.00 0.00 C ATOM 280 O VAL A 19 3.023 -0.875 8.647 1.00 0.00 O ATOM 281 CB VAL A 19 2.064 -0.204 11.385 1.00 0.00 C ATOM 282 CG1 VAL A 19 3.561 -0.226 11.702 1.00 0.00 C ATOM 283 CG2 VAL A 19 1.310 0.446 12.547 1.00 0.00 C ATOM 0 H VAL A 19 0.171 -0.747 9.955 1.00 0.00 H new ATOM 0 HA VAL A 19 1.877 1.674 10.281 1.00 0.00 H new ATOM 0 HB VAL A 19 1.709 -1.224 11.242 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.732 -0.799 12.613 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.101 -0.689 10.876 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.918 0.794 11.843 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.483 -0.126 13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.666 1.467 12.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.243 0.461 12.325 1.00 0.00 H new ATOM 293 N PHE A 20 3.628 1.236 8.600 1.00 0.00 N ATOM 294 CA PHE A 20 4.676 0.951 7.577 1.00 0.00 C ATOM 295 C PHE A 20 6.055 0.913 8.236 1.00 0.00 C ATOM 296 O PHE A 20 6.540 1.906 8.741 1.00 0.00 O ATOM 297 CB PHE A 20 4.610 2.099 6.567 1.00 0.00 C ATOM 298 CG PHE A 20 5.701 1.902 5.539 1.00 0.00 C ATOM 299 CD1 PHE A 20 5.646 0.806 4.672 1.00 0.00 C ATOM 300 CD2 PHE A 20 6.768 2.805 5.457 1.00 0.00 C ATOM 301 CE1 PHE A 20 6.654 0.613 3.721 1.00 0.00 C ATOM 302 CE2 PHE A 20 7.776 2.611 4.506 1.00 0.00 C ATOM 303 CZ PHE A 20 7.719 1.515 3.638 1.00 0.00 C ATOM 0 H PHE A 20 3.560 2.210 8.896 1.00 0.00 H new ATOM 0 HA PHE A 20 4.511 -0.013 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.634 2.121 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.736 3.056 7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.825 0.108 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.813 3.651 6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.609 -0.233 3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.599 3.308 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.497 1.366 2.904 1.00 0.00 H new ATOM 313 N ASN A 21 6.693 -0.223 8.233 1.00 0.00 N ATOM 314 CA ASN A 21 8.035 -0.323 8.851 1.00 0.00 C ATOM 315 C ASN A 21 9.115 -0.084 7.794 1.00 0.00 C ATOM 316 O ASN A 21 9.464 -0.972 7.043 1.00 0.00 O ATOM 317 CB ASN A 21 8.100 -1.756 9.365 1.00 0.00 C ATOM 318 CG ASN A 21 8.169 -1.765 10.892 1.00 0.00 C ATOM 319 OD1 ASN A 21 7.830 -0.791 11.532 1.00 0.00 O ATOM 320 ND2 ASN A 21 8.593 -2.834 11.508 1.00 0.00 N ATOM 0 H ASN A 21 6.338 -1.088 7.826 1.00 0.00 H new ATOM 0 HA ASN A 21 8.196 0.411 9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.224 -2.311 9.030 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.974 -2.260 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.639 -2.851 12.527 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.878 -3.653 10.971 1.00 0.00 H new ATOM 327 N HIS A 22 9.647 1.104 7.726 1.00 0.00 N ATOM 328 CA HIS A 22 10.702 1.379 6.710 1.00 0.00 C ATOM 329 C HIS A 22 11.766 0.281 6.771 1.00 0.00 C ATOM 330 O HIS A 22 12.344 -0.094 5.770 1.00 0.00 O ATOM 331 CB HIS A 22 11.305 2.725 7.110 1.00 0.00 C ATOM 332 CG HIS A 22 10.514 3.852 6.500 1.00 0.00 C ATOM 333 ND1 HIS A 22 10.434 4.336 5.214 1.00 0.00 N flip ATOM 334 CD2 HIS A 22 9.708 4.680 7.265 1.00 0.00 C flip ATOM 335 CE1 HIS A 22 9.607 5.454 5.191 1.00 0.00 C flip ATOM 336 NE2 HIS A 22 9.194 5.616 6.449 1.00 0.00 N flip ATOM 0 H HIS A 22 9.400 1.892 8.325 1.00 0.00 H new ATOM 0 HA HIS A 22 10.307 1.401 5.694 1.00 0.00 H new ATOM 0 HB2 HIS A 22 11.310 2.821 8.196 1.00 0.00 H new ATOM 0 HB3 HIS A 22 12.342 2.779 6.780 1.00 0.00 H new ATOM 0 HD1 HIS A 22 10.908 3.937 4.404 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.526 4.589 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.353 6.062 4.336 1.00 0.00 H new ATOM 344 N SER A 23 12.022 -0.242 7.941 1.00 0.00 N ATOM 345 CA SER A 23 13.041 -1.322 8.070 1.00 0.00 C ATOM 346 C SER A 23 12.775 -2.409 7.029 1.00 0.00 C ATOM 347 O SER A 23 13.680 -2.916 6.398 1.00 0.00 O ATOM 348 CB SER A 23 12.856 -1.875 9.482 1.00 0.00 C ATOM 349 OG SER A 23 12.941 -3.293 9.446 1.00 0.00 O ATOM 0 H SER A 23 11.569 0.033 8.812 1.00 0.00 H new ATOM 0 HA SER A 23 14.056 -0.960 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.619 -1.470 10.146 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.890 -1.567 9.882 1.00 0.00 H new ATOM 0 HG SER A 23 12.824 -3.651 10.351 1.00 0.00 H new ATOM 355 N THR A 24 11.534 -2.765 6.840 1.00 0.00 N ATOM 356 CA THR A 24 11.201 -3.811 5.834 1.00 0.00 C ATOM 357 C THR A 24 11.272 -3.220 4.426 1.00 0.00 C ATOM 358 O THR A 24 11.033 -3.896 3.444 1.00 0.00 O ATOM 359 CB THR A 24 9.770 -4.243 6.165 1.00 0.00 C ATOM 360 OG1 THR A 24 9.413 -3.750 7.449 1.00 0.00 O ATOM 361 CG2 THR A 24 9.680 -5.769 6.158 1.00 0.00 C ATOM 0 H THR A 24 10.735 -2.375 7.340 1.00 0.00 H new ATOM 0 HA THR A 24 11.894 -4.652 5.864 1.00 0.00 H new ATOM 0 HB THR A 24 9.087 -3.839 5.418 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.496 -4.024 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.661 -6.074 6.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.953 -6.145 5.172 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.363 -6.177 6.903 1.00 0.00 H new ATOM 369 N HIS A 25 11.586 -1.958 4.321 1.00 0.00 N ATOM 370 CA HIS A 25 11.655 -1.317 2.987 1.00 0.00 C ATOM 371 C HIS A 25 13.015 -0.644 2.779 1.00 0.00 C ATOM 372 O HIS A 25 13.340 -0.211 1.693 1.00 0.00 O ATOM 373 CB HIS A 25 10.526 -0.300 3.025 1.00 0.00 C ATOM 374 CG HIS A 25 9.239 -1.039 3.248 1.00 0.00 C ATOM 375 ND1 HIS A 25 8.751 -1.300 4.518 1.00 0.00 N ATOM 376 CD2 HIS A 25 8.353 -1.619 2.378 1.00 0.00 C ATOM 377 CE1 HIS A 25 7.619 -2.010 4.379 1.00 0.00 C ATOM 378 NE2 HIS A 25 7.333 -2.235 3.095 1.00 0.00 N ATOM 0 H HIS A 25 11.798 -1.344 5.108 1.00 0.00 H new ATOM 0 HA HIS A 25 11.552 -2.023 2.163 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.692 0.424 3.823 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.486 0.260 2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.174 -1.007 5.398 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.434 -1.601 1.301 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.015 -2.356 5.205 1.00 0.00 H new ATOM 386 N LYS A 26 13.818 -0.565 3.805 1.00 0.00 N ATOM 387 CA LYS A 26 15.157 0.068 3.640 1.00 0.00 C ATOM 388 C LYS A 26 15.874 -0.567 2.447 1.00 0.00 C ATOM 389 O LYS A 26 16.696 0.050 1.799 1.00 0.00 O ATOM 390 CB LYS A 26 15.906 -0.228 4.940 1.00 0.00 C ATOM 391 CG LYS A 26 15.144 0.383 6.115 1.00 0.00 C ATOM 392 CD LYS A 26 16.075 0.502 7.323 1.00 0.00 C ATOM 393 CE LYS A 26 15.311 1.112 8.499 1.00 0.00 C ATOM 394 NZ LYS A 26 16.211 2.169 9.038 1.00 0.00 N ATOM 0 H LYS A 26 13.607 -0.908 4.742 1.00 0.00 H new ATOM 0 HA LYS A 26 15.095 1.140 3.452 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.006 -1.305 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.915 0.183 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.760 1.365 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.284 -0.237 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.460 -0.480 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.935 1.123 7.073 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.359 1.532 8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.087 0.361 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.754 2.633 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.107 1.739 9.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.401 2.874 8.297 1.00 0.00 H new ATOM 408 N ALA A 27 15.557 -1.799 2.150 1.00 0.00 N ATOM 409 CA ALA A 27 16.204 -2.480 0.995 1.00 0.00 C ATOM 410 C ALA A 27 15.445 -2.147 -0.292 1.00 0.00 C ATOM 411 O ALA A 27 15.869 -2.481 -1.380 1.00 0.00 O ATOM 412 CB ALA A 27 16.104 -3.974 1.307 1.00 0.00 C ATOM 0 H ALA A 27 14.876 -2.363 2.659 1.00 0.00 H new ATOM 0 HA ALA A 27 17.238 -2.167 0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.561 -4.546 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 27 16.624 -4.186 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.056 -4.256 1.403 1.00 0.00 H new ATOM 418 N VAL A 28 14.329 -1.479 -0.173 1.00 0.00 N ATOM 419 CA VAL A 28 13.546 -1.109 -1.384 1.00 0.00 C ATOM 420 C VAL A 28 14.141 0.149 -1.998 1.00 0.00 C ATOM 421 O VAL A 28 15.070 0.727 -1.471 1.00 0.00 O ATOM 422 CB VAL A 28 12.128 -0.845 -0.876 1.00 0.00 C ATOM 423 CG1 VAL A 28 11.319 -0.101 -1.939 1.00 0.00 C ATOM 424 CG2 VAL A 28 11.444 -2.177 -0.558 1.00 0.00 C ATOM 0 H VAL A 28 13.926 -1.174 0.713 1.00 0.00 H new ATOM 0 HA VAL A 28 13.556 -1.884 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 28 12.181 -0.234 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.311 0.082 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.801 0.850 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.267 -0.704 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.433 -1.990 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.399 -2.787 -1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.012 -2.704 0.209 1.00 0.00 H new ATOM 434 N LYS A 29 13.619 0.588 -3.101 1.00 0.00 N ATOM 435 CA LYS A 29 14.173 1.814 -3.722 1.00 0.00 C ATOM 436 C LYS A 29 13.434 3.035 -3.202 1.00 0.00 C ATOM 437 O LYS A 29 12.315 3.314 -3.581 1.00 0.00 O ATOM 438 CB LYS A 29 13.950 1.670 -5.215 1.00 0.00 C ATOM 439 CG LYS A 29 15.302 1.579 -5.916 1.00 0.00 C ATOM 440 CD LYS A 29 15.641 0.113 -6.194 1.00 0.00 C ATOM 441 CE LYS A 29 16.835 -0.308 -5.335 1.00 0.00 C ATOM 442 NZ LYS A 29 17.266 -1.619 -5.895 1.00 0.00 N ATOM 0 H LYS A 29 12.839 0.156 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 29 15.230 1.938 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 29 13.358 0.778 -5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 29 13.386 2.522 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.277 2.140 -6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.076 2.030 -5.295 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.780 -0.518 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.874 -0.023 -7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.638 0.427 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.554 -0.400 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.083 -1.974 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.483 -2.300 -5.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.533 -1.499 -6.893 1.00 0.00 H new ATOM 456 N CYS A 30 14.059 3.764 -2.341 1.00 0.00 N ATOM 457 CA CYS A 30 13.406 4.986 -1.791 1.00 0.00 C ATOM 458 C CYS A 30 12.785 5.785 -2.937 1.00 0.00 C ATOM 459 O CYS A 30 11.853 6.542 -2.752 1.00 0.00 O ATOM 460 CB CYS A 30 14.528 5.783 -1.123 1.00 0.00 C ATOM 461 SG CYS A 30 14.931 5.038 0.477 1.00 0.00 S ATOM 0 H CYS A 30 14.997 3.574 -1.987 1.00 0.00 H new ATOM 0 HA CYS A 30 12.611 4.753 -1.083 1.00 0.00 H new ATOM 0 HB2 CYS A 30 15.410 5.795 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 30 14.220 6.820 -0.986 1.00 0.00 H new ATOM 0 HG CYS A 30 15.886 5.715 1.043 1.00 0.00 H new ATOM 466 N GLY A 31 13.296 5.611 -4.128 1.00 0.00 N ATOM 467 CA GLY A 31 12.740 6.346 -5.299 1.00 0.00 C ATOM 468 C GLY A 31 11.563 5.559 -5.877 1.00 0.00 C ATOM 469 O GLY A 31 10.786 6.070 -6.656 1.00 0.00 O ATOM 0 H GLY A 31 14.077 4.989 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.414 7.341 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.511 6.480 -6.058 1.00 0.00 H new ATOM 473 N ASP A 32 11.415 4.322 -5.497 1.00 0.00 N ATOM 474 CA ASP A 32 10.276 3.522 -6.021 1.00 0.00 C ATOM 475 C ASP A 32 9.013 3.894 -5.244 1.00 0.00 C ATOM 476 O ASP A 32 7.933 3.978 -5.794 1.00 0.00 O ATOM 477 CB ASP A 32 10.671 2.065 -5.787 1.00 0.00 C ATOM 478 CG ASP A 32 10.515 1.284 -7.091 1.00 0.00 C ATOM 479 OD1 ASP A 32 9.465 1.392 -7.702 1.00 0.00 O ATOM 480 OD2 ASP A 32 11.451 0.593 -7.460 1.00 0.00 O ATOM 0 H ASP A 32 12.031 3.832 -4.849 1.00 0.00 H new ATOM 0 HA ASP A 32 10.070 3.702 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.701 2.007 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.045 1.627 -5.010 1.00 0.00 H new ATOM 485 N CYS A 33 9.151 4.153 -3.971 1.00 0.00 N ATOM 486 CA CYS A 33 7.971 4.561 -3.160 1.00 0.00 C ATOM 487 C CYS A 33 7.849 6.087 -3.220 1.00 0.00 C ATOM 488 O CYS A 33 6.831 6.627 -3.604 1.00 0.00 O ATOM 489 CB CYS A 33 8.277 4.098 -1.732 1.00 0.00 C ATOM 490 SG CYS A 33 7.650 2.420 -1.478 1.00 0.00 S ATOM 0 H CYS A 33 10.031 4.099 -3.459 1.00 0.00 H new ATOM 0 HA CYS A 33 7.035 4.131 -3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.352 4.124 -1.555 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.819 4.779 -1.014 1.00 0.00 H new ATOM 0 HG CYS A 33 7.917 2.036 -0.265 1.00 0.00 H new ATOM 495 N HIS A 34 8.899 6.783 -2.865 1.00 0.00 N ATOM 496 CA HIS A 34 8.871 8.272 -2.924 1.00 0.00 C ATOM 497 C HIS A 34 9.338 8.728 -4.307 1.00 0.00 C ATOM 498 O HIS A 34 10.000 9.734 -4.445 1.00 0.00 O ATOM 499 CB HIS A 34 9.873 8.740 -1.867 1.00 0.00 C ATOM 500 CG HIS A 34 9.312 8.529 -0.489 1.00 0.00 C ATOM 501 ND1 HIS A 34 8.197 9.211 -0.027 1.00 0.00 N ATOM 502 CD2 HIS A 34 9.718 7.727 0.545 1.00 0.00 C ATOM 503 CE1 HIS A 34 7.977 8.810 1.240 1.00 0.00 C ATOM 504 NE2 HIS A 34 8.875 7.907 1.634 1.00 0.00 N ATOM 0 H HIS A 34 9.777 6.381 -2.536 1.00 0.00 H new ATOM 0 HA HIS A 34 7.874 8.674 -2.747 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.809 8.191 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.103 9.795 -2.016 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.645 9.891 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.565 7.057 0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.172 9.175 1.860 1.00 0.00 H new ATOM 512 N HIS A 35 9.013 7.975 -5.325 1.00 0.00 N ATOM 513 CA HIS A 35 9.449 8.334 -6.707 1.00 0.00 C ATOM 514 C HIS A 35 9.535 9.853 -6.890 1.00 0.00 C ATOM 515 O HIS A 35 8.984 10.610 -6.116 1.00 0.00 O ATOM 516 CB HIS A 35 8.376 7.744 -7.620 1.00 0.00 C ATOM 517 CG HIS A 35 7.029 8.212 -7.172 1.00 0.00 C ATOM 518 ND1 HIS A 35 6.532 9.429 -7.567 1.00 0.00 N ATOM 519 CD2 HIS A 35 6.060 7.643 -6.378 1.00 0.00 C ATOM 520 CE1 HIS A 35 5.314 9.570 -7.025 1.00 0.00 C ATOM 521 NE2 HIS A 35 4.971 8.507 -6.287 1.00 0.00 N ATOM 0 H HIS A 35 8.460 7.120 -5.258 1.00 0.00 H new ATOM 0 HA HIS A 35 10.444 7.948 -6.928 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.554 8.048 -8.652 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.421 6.655 -7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 35 6.132 6.677 -5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.685 10.437 -7.167 1.00 0.00 H new ATOM 0 HE2 HIS A 35 4.103 8.362 -5.771 1.00 0.00 H new ATOM 529 N PRO A 36 10.235 10.242 -7.921 1.00 0.00 N ATOM 530 CA PRO A 36 10.418 11.683 -8.226 1.00 0.00 C ATOM 531 C PRO A 36 9.085 12.310 -8.644 1.00 0.00 C ATOM 532 O PRO A 36 8.458 11.888 -9.594 1.00 0.00 O ATOM 533 CB PRO A 36 11.417 11.681 -9.381 1.00 0.00 C ATOM 534 CG PRO A 36 11.264 10.336 -10.013 1.00 0.00 C ATOM 535 CD PRO A 36 10.907 9.385 -8.902 1.00 0.00 C ATOM 0 HA PRO A 36 10.769 12.265 -7.374 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.202 12.479 -10.092 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.435 11.837 -9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 36 10.486 10.351 -10.776 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.187 10.030 -10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.253 8.586 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.793 8.910 -8.480 1.00 0.00 H new ATOM 602 N GLU A 41 12.591 12.847 -5.696 1.00 0.00 N ATOM 603 CA GLU A 41 11.576 11.978 -5.033 1.00 0.00 C ATOM 604 C GLU A 41 11.043 12.643 -3.767 1.00 0.00 C ATOM 605 O GLU A 41 11.769 12.857 -2.817 1.00 0.00 O ATOM 606 CB GLU A 41 12.330 10.703 -4.675 1.00 0.00 C ATOM 607 CG GLU A 41 12.281 9.727 -5.852 1.00 0.00 C ATOM 608 CD GLU A 41 13.631 9.022 -5.988 1.00 0.00 C ATOM 609 OE1 GLU A 41 14.139 8.558 -4.980 1.00 0.00 O ATOM 610 OE2 GLU A 41 14.134 8.958 -7.097 1.00 0.00 O ATOM 0 HA GLU A 41 10.717 11.789 -5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.365 10.938 -4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.888 10.244 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.490 8.993 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.044 10.262 -6.772 1.00 0.00 H new ATOM 617 N ASP A 42 9.779 12.957 -3.735 1.00 0.00 N ATOM 618 CA ASP A 42 9.214 13.588 -2.515 1.00 0.00 C ATOM 619 C ASP A 42 9.326 12.612 -1.346 1.00 0.00 C ATOM 620 O ASP A 42 8.610 11.633 -1.271 1.00 0.00 O ATOM 621 CB ASP A 42 7.752 13.867 -2.838 1.00 0.00 C ATOM 622 CG ASP A 42 7.657 15.032 -3.827 1.00 0.00 C ATOM 623 OD1 ASP A 42 8.524 15.130 -4.679 1.00 0.00 O ATOM 624 OD2 ASP A 42 6.719 15.804 -3.713 1.00 0.00 O ATOM 0 H ASP A 42 9.118 12.805 -4.496 1.00 0.00 H new ATOM 0 HA ASP A 42 9.739 14.502 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.287 12.977 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.207 14.107 -1.925 1.00 0.00 H new ATOM 629 N TYR A 43 10.224 12.864 -0.442 1.00 0.00 N ATOM 630 CA TYR A 43 10.390 11.942 0.715 1.00 0.00 C ATOM 631 C TYR A 43 9.435 12.334 1.847 1.00 0.00 C ATOM 632 O TYR A 43 9.856 12.749 2.909 1.00 0.00 O ATOM 633 CB TYR A 43 11.845 12.113 1.154 1.00 0.00 C ATOM 634 CG TYR A 43 12.764 11.695 0.031 1.00 0.00 C ATOM 635 CD1 TYR A 43 13.039 10.339 -0.185 1.00 0.00 C ATOM 636 CD2 TYR A 43 13.341 12.666 -0.798 1.00 0.00 C ATOM 637 CE1 TYR A 43 13.891 9.954 -1.227 1.00 0.00 C ATOM 638 CE2 TYR A 43 14.192 12.280 -1.840 1.00 0.00 C ATOM 639 CZ TYR A 43 14.468 10.925 -2.055 1.00 0.00 C ATOM 640 OH TYR A 43 15.307 10.546 -3.082 1.00 0.00 O ATOM 0 H TYR A 43 10.852 13.668 -0.452 1.00 0.00 H new ATOM 0 HA TYR A 43 10.163 10.908 0.454 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.034 13.152 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.041 11.511 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.594 9.590 0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.129 13.712 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 43 14.103 8.908 -1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.636 13.029 -2.479 1.00 0.00 H new ATOM 0 HH TYR A 43 14.895 9.815 -3.589 1.00 0.00 H new ATOM 650 N GLN A 44 8.154 12.206 1.631 1.00 0.00 N ATOM 651 CA GLN A 44 7.178 12.573 2.699 1.00 0.00 C ATOM 652 C GLN A 44 6.040 11.551 2.752 1.00 0.00 C ATOM 653 O GLN A 44 5.892 10.725 1.875 1.00 0.00 O ATOM 654 CB GLN A 44 6.646 13.951 2.301 1.00 0.00 C ATOM 655 CG GLN A 44 6.103 13.900 0.871 1.00 0.00 C ATOM 656 CD GLN A 44 6.151 15.300 0.256 1.00 0.00 C ATOM 657 OE1 GLN A 44 5.202 16.152 0.529 1.00 0.00 O flip ATOM 658 NE2 GLN A 44 7.064 15.623 -0.480 1.00 0.00 N flip ATOM 0 H GLN A 44 7.741 11.864 0.763 1.00 0.00 H new ATOM 0 HA GLN A 44 7.637 12.587 3.687 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.859 14.260 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.441 14.693 2.372 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.693 13.207 0.271 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.079 13.527 0.873 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.807 14.957 -0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.087 16.560 -0.883 1.00 0.00 H new ATOM 667 N LYS A 45 5.238 11.597 3.781 1.00 0.00 N ATOM 668 CA LYS A 45 4.116 10.625 3.895 1.00 0.00 C ATOM 669 C LYS A 45 3.422 10.449 2.542 1.00 0.00 C ATOM 670 O LYS A 45 3.026 11.403 1.902 1.00 0.00 O ATOM 671 CB LYS A 45 3.166 11.233 4.923 1.00 0.00 C ATOM 672 CG LYS A 45 3.558 10.762 6.324 1.00 0.00 C ATOM 673 CD LYS A 45 3.389 11.913 7.318 1.00 0.00 C ATOM 674 CE LYS A 45 1.917 12.029 7.721 1.00 0.00 C ATOM 675 NZ LYS A 45 1.525 13.418 7.351 1.00 0.00 N ATOM 0 H LYS A 45 5.312 12.266 4.547 1.00 0.00 H new ATOM 0 HA LYS A 45 4.457 9.635 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.204 12.321 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.140 10.939 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.937 9.917 6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.591 10.415 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.006 11.739 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.729 12.847 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.305 11.294 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.785 11.853 8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.527 13.574 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.119 14.096 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.655 13.555 6.328 1.00 0.00 H new ATOM 689 N CYS A 46 3.283 9.230 2.105 1.00 0.00 N ATOM 690 CA CYS A 46 2.628 8.961 0.793 1.00 0.00 C ATOM 691 C CYS A 46 1.379 9.825 0.607 1.00 0.00 C ATOM 692 O CYS A 46 1.134 10.356 -0.457 1.00 0.00 O ATOM 693 CB CYS A 46 2.243 7.484 0.852 1.00 0.00 C ATOM 694 SG CYS A 46 3.734 6.478 1.048 1.00 0.00 S ATOM 0 H CYS A 46 3.598 8.399 2.605 1.00 0.00 H new ATOM 0 HA CYS A 46 3.288 9.194 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.561 7.308 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.716 7.198 -0.058 1.00 0.00 H new ATOM 0 HG CYS A 46 3.406 5.221 1.100 1.00 0.00 H new ATOM 699 N ALA A 47 0.581 9.953 1.626 1.00 0.00 N ATOM 700 CA ALA A 47 -0.663 10.766 1.499 1.00 0.00 C ATOM 701 C ALA A 47 -0.507 12.117 2.196 1.00 0.00 C ATOM 702 O ALA A 47 -1.250 12.452 3.097 1.00 0.00 O ATOM 703 CB ALA A 47 -1.734 9.939 2.191 1.00 0.00 C ATOM 0 H ALA A 47 0.733 9.531 2.542 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.905 10.980 0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.687 10.466 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.828 8.974 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.456 9.783 3.233 1.00 0.00 H new ATOM 709 N THR A 48 0.450 12.890 1.786 1.00 0.00 N ATOM 710 CA THR A 48 0.658 14.224 2.417 1.00 0.00 C ATOM 711 C THR A 48 -0.644 15.035 2.394 1.00 0.00 C ATOM 712 O THR A 48 -1.718 14.499 2.205 1.00 0.00 O ATOM 713 CB THR A 48 1.733 14.908 1.571 1.00 0.00 C ATOM 714 OG1 THR A 48 2.588 13.922 1.007 1.00 0.00 O ATOM 715 CG2 THR A 48 2.553 15.853 2.451 1.00 0.00 C ATOM 0 H THR A 48 1.103 12.659 1.037 1.00 0.00 H new ATOM 0 HA THR A 48 0.959 14.139 3.461 1.00 0.00 H new ATOM 0 HB THR A 48 1.259 15.479 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.751 14.131 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.319 16.340 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.897 16.609 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.028 15.285 3.251 1.00 0.00 H new ATOM 723 N ALA A 49 -0.557 16.324 2.584 1.00 0.00 N ATOM 724 CA ALA A 49 -1.791 17.168 2.576 1.00 0.00 C ATOM 725 C ALA A 49 -2.269 17.400 1.140 1.00 0.00 C ATOM 726 O ALA A 49 -3.343 17.919 0.908 1.00 0.00 O ATOM 727 CB ALA A 49 -1.371 18.489 3.222 1.00 0.00 C ATOM 0 H ALA A 49 0.314 16.831 2.744 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.616 16.696 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.225 19.166 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.018 18.302 4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.570 18.942 2.637 1.00 0.00 H new ATOM 733 N GLY A 50 -1.483 17.010 0.178 1.00 0.00 N ATOM 734 CA GLY A 50 -1.885 17.192 -1.247 1.00 0.00 C ATOM 735 C GLY A 50 -1.324 16.022 -2.046 1.00 0.00 C ATOM 736 O GLY A 50 -1.214 16.064 -3.255 1.00 0.00 O ATOM 0 H GLY A 50 -0.573 16.570 0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.971 17.228 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.502 18.136 -1.634 1.00 0.00 H new ATOM 740 N CYS A 51 -0.957 14.981 -1.356 1.00 0.00 N ATOM 741 CA CYS A 51 -0.384 13.789 -2.011 1.00 0.00 C ATOM 742 C CYS A 51 -1.468 12.703 -2.134 1.00 0.00 C ATOM 743 O CYS A 51 -2.569 12.981 -2.569 1.00 0.00 O ATOM 744 CB CYS A 51 0.733 13.411 -1.040 1.00 0.00 C ATOM 745 SG CYS A 51 2.337 13.827 -1.763 1.00 0.00 S ATOM 0 H CYS A 51 -1.035 14.911 -0.341 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.017 13.937 -3.027 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.601 13.939 -0.096 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.689 12.345 -0.818 1.00 0.00 H new ATOM 0 HG CYS A 51 3.261 13.088 -1.224 1.00 0.00 H new ATOM 750 N HIS A 52 -1.195 11.484 -1.751 1.00 0.00 N ATOM 751 CA HIS A 52 -2.247 10.430 -1.853 1.00 0.00 C ATOM 752 C HIS A 52 -3.218 10.570 -0.678 1.00 0.00 C ATOM 753 O HIS A 52 -3.427 9.644 0.080 1.00 0.00 O ATOM 754 CB HIS A 52 -1.501 9.098 -1.759 1.00 0.00 C ATOM 755 CG HIS A 52 -0.674 8.878 -2.986 1.00 0.00 C ATOM 756 ND1 HIS A 52 -1.254 8.680 -4.214 1.00 0.00 N ATOM 757 CD2 HIS A 52 0.683 8.808 -3.190 1.00 0.00 C ATOM 758 CE1 HIS A 52 -0.266 8.501 -5.109 1.00 0.00 C ATOM 759 NE2 HIS A 52 0.938 8.572 -4.535 1.00 0.00 N ATOM 0 H HIS A 52 -0.299 11.174 -1.376 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.821 10.505 -2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.862 9.093 -0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.214 8.282 -1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.435 8.919 -2.423 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.426 8.322 -6.162 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.847 8.474 -4.986 1.00 0.00 H new ATOM 767 N ASP A 53 -3.801 11.726 -0.513 1.00 0.00 N ATOM 768 CA ASP A 53 -4.741 11.927 0.626 1.00 0.00 C ATOM 769 C ASP A 53 -6.200 11.847 0.165 1.00 0.00 C ATOM 770 O ASP A 53 -7.089 12.344 0.826 1.00 0.00 O ATOM 771 CB ASP A 53 -4.426 13.326 1.155 1.00 0.00 C ATOM 772 CG ASP A 53 -5.415 13.687 2.265 1.00 0.00 C ATOM 773 OD1 ASP A 53 -5.521 12.920 3.208 1.00 0.00 O ATOM 774 OD2 ASP A 53 -6.047 14.725 2.155 1.00 0.00 O ATOM 0 H ASP A 53 -3.668 12.538 -1.116 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.619 11.156 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.406 13.361 1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.489 14.055 0.347 1.00 0.00 H new ATOM 779 N ASN A 54 -6.466 11.222 -0.953 1.00 0.00 N ATOM 780 CA ASN A 54 -7.881 11.125 -1.409 1.00 0.00 C ATOM 781 C ASN A 54 -8.585 10.002 -0.647 1.00 0.00 C ATOM 782 O ASN A 54 -8.402 8.835 -0.931 1.00 0.00 O ATOM 783 CB ASN A 54 -7.808 10.805 -2.902 1.00 0.00 C ATOM 784 CG ASN A 54 -8.619 11.838 -3.685 1.00 0.00 C ATOM 785 OD1 ASN A 54 -9.597 11.435 -4.448 1.00 0.00 O flip ATOM 786 ND2 ASN A 54 -8.362 13.022 -3.601 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.775 10.781 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.442 12.042 -1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.770 10.812 -3.236 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -8.196 9.804 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.597 13.337 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -8.911 13.702 -4.127 1.00 0.00 H new ATOM 793 N MET A 55 -9.381 10.346 0.328 1.00 0.00 N ATOM 794 CA MET A 55 -10.088 9.299 1.118 1.00 0.00 C ATOM 795 C MET A 55 -11.317 8.792 0.358 1.00 0.00 C ATOM 796 O MET A 55 -12.235 8.249 0.939 1.00 0.00 O ATOM 797 CB MET A 55 -10.508 9.996 2.412 1.00 0.00 C ATOM 798 CG MET A 55 -9.604 9.535 3.557 1.00 0.00 C ATOM 799 SD MET A 55 -10.623 8.897 4.910 1.00 0.00 S ATOM 800 CE MET A 55 -10.637 7.165 4.385 1.00 0.00 C ATOM 0 H MET A 55 -9.572 11.307 0.612 1.00 0.00 H new ATOM 0 HA MET A 55 -9.456 8.431 1.307 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.440 11.077 2.294 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.548 9.765 2.641 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.921 8.762 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 55 -8.992 10.366 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.559 6.519 5.260 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.567 6.952 3.858 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.793 6.979 3.721 1.00 0.00 H new ATOM 810 N ASP A 56 -11.339 8.954 -0.937 1.00 0.00 N ATOM 811 CA ASP A 56 -12.506 8.470 -1.724 1.00 0.00 C ATOM 812 C ASP A 56 -12.384 6.962 -1.940 1.00 0.00 C ATOM 813 O ASP A 56 -13.348 6.286 -2.242 1.00 0.00 O ATOM 814 CB ASP A 56 -12.425 9.216 -3.057 1.00 0.00 C ATOM 815 CG ASP A 56 -13.837 9.543 -3.546 1.00 0.00 C ATOM 816 OD1 ASP A 56 -14.431 10.463 -3.007 1.00 0.00 O ATOM 817 OD2 ASP A 56 -14.301 8.868 -4.450 1.00 0.00 O ATOM 0 H ASP A 56 -10.601 9.400 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.457 8.650 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.849 10.133 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.905 8.606 -3.796 1.00 0.00 H new ATOM 822 N LYS A 57 -11.203 6.429 -1.781 1.00 0.00 N ATOM 823 CA LYS A 57 -11.013 4.963 -1.967 1.00 0.00 C ATOM 824 C LYS A 57 -11.409 4.555 -3.388 1.00 0.00 C ATOM 825 O LYS A 57 -11.570 3.389 -3.688 1.00 0.00 O ATOM 826 CB LYS A 57 -11.941 4.317 -0.942 1.00 0.00 C ATOM 827 CG LYS A 57 -11.649 4.894 0.444 1.00 0.00 C ATOM 828 CD LYS A 57 -12.818 4.586 1.383 1.00 0.00 C ATOM 829 CE LYS A 57 -14.127 5.051 0.741 1.00 0.00 C ATOM 830 NZ LYS A 57 -14.869 5.739 1.835 1.00 0.00 N ATOM 0 H LYS A 57 -10.361 6.947 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.976 4.656 -1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.981 4.499 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.798 3.236 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.728 4.467 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.497 5.971 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.861 3.516 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.672 5.088 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.939 5.726 -0.094 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.695 4.208 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.779 6.087 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.039 5.070 2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.307 6.541 2.185 1.00 0.00 H new ATOM 844 N LYS A 58 -11.571 5.508 -4.266 1.00 0.00 N ATOM 845 CA LYS A 58 -11.959 5.172 -5.667 1.00 0.00 C ATOM 846 C LYS A 58 -11.107 5.962 -6.666 1.00 0.00 C ATOM 847 O LYS A 58 -11.181 5.749 -7.860 1.00 0.00 O ATOM 848 CB LYS A 58 -13.430 5.579 -5.776 1.00 0.00 C ATOM 849 CG LYS A 58 -14.228 4.918 -4.651 1.00 0.00 C ATOM 850 CD LYS A 58 -15.484 4.263 -5.231 1.00 0.00 C ATOM 851 CE LYS A 58 -15.981 3.175 -4.276 1.00 0.00 C ATOM 852 NZ LYS A 58 -17.126 2.537 -4.984 1.00 0.00 N ATOM 0 H LYS A 58 -11.452 6.503 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.807 4.117 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.524 6.663 -5.714 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.830 5.279 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.615 4.171 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.505 5.661 -3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.261 5.012 -5.381 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.264 3.832 -6.208 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.196 2.450 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.293 3.599 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.521 1.779 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.860 3.250 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.797 2.136 -5.885 1.00 0.00 H new ATOM 866 N ASP A 59 -10.298 6.872 -6.193 1.00 0.00 N ATOM 867 CA ASP A 59 -9.448 7.666 -7.126 1.00 0.00 C ATOM 868 C ASP A 59 -8.432 6.753 -7.817 1.00 0.00 C ATOM 869 O ASP A 59 -7.432 6.373 -7.242 1.00 0.00 O ATOM 870 CB ASP A 59 -8.736 8.691 -6.243 1.00 0.00 C ATOM 871 CG ASP A 59 -7.519 9.250 -6.983 1.00 0.00 C ATOM 872 OD1 ASP A 59 -6.527 8.545 -7.070 1.00 0.00 O ATOM 873 OD2 ASP A 59 -7.599 10.374 -7.451 1.00 0.00 O ATOM 0 H ASP A 59 -10.189 7.099 -5.205 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.032 8.145 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.419 9.500 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.424 8.226 -5.308 1.00 0.00 H new ATOM 878 N LYS A 60 -8.680 6.399 -9.049 1.00 0.00 N ATOM 879 CA LYS A 60 -7.727 5.512 -9.776 1.00 0.00 C ATOM 880 C LYS A 60 -6.630 6.346 -10.441 1.00 0.00 C ATOM 881 O LYS A 60 -6.038 5.942 -11.422 1.00 0.00 O ATOM 882 CB LYS A 60 -8.576 4.801 -10.830 1.00 0.00 C ATOM 883 CG LYS A 60 -8.633 3.304 -10.516 1.00 0.00 C ATOM 884 CD LYS A 60 -7.387 2.617 -11.081 1.00 0.00 C ATOM 885 CE LYS A 60 -7.622 2.264 -12.552 1.00 0.00 C ATOM 886 NZ LYS A 60 -6.511 2.930 -13.287 1.00 0.00 N ATOM 0 H LYS A 60 -9.500 6.685 -9.583 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.228 4.807 -9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.583 5.219 -10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.152 4.959 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.690 3.149 -9.439 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.532 2.865 -10.949 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.522 3.274 -10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.166 1.715 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.608 1.185 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.593 2.622 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.602 2.735 -14.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.554 3.957 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.600 2.564 -12.944 1.00 0.00 H new ATOM 900 N SER A 61 -6.352 7.508 -9.913 1.00 0.00 N ATOM 901 CA SER A 61 -5.292 8.365 -10.516 1.00 0.00 C ATOM 902 C SER A 61 -4.009 8.280 -9.686 1.00 0.00 C ATOM 903 O SER A 61 -3.775 7.316 -8.983 1.00 0.00 O ATOM 904 CB SER A 61 -5.862 9.783 -10.480 1.00 0.00 C ATOM 905 OG SER A 61 -5.940 10.291 -11.805 1.00 0.00 O ATOM 0 H SER A 61 -6.813 7.900 -9.092 1.00 0.00 H new ATOM 0 HA SER A 61 -5.036 8.055 -11.529 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.851 9.778 -10.021 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.230 10.426 -9.868 1.00 0.00 H new ATOM 0 HG SER A 61 -6.307 11.200 -11.786 1.00 0.00 H new ATOM 911 N ALA A 62 -3.174 9.280 -9.761 1.00 0.00 N ATOM 912 CA ALA A 62 -1.906 9.255 -8.977 1.00 0.00 C ATOM 913 C ALA A 62 -2.048 10.102 -7.708 1.00 0.00 C ATOM 914 O ALA A 62 -1.076 10.583 -7.161 1.00 0.00 O ATOM 915 CB ALA A 62 -0.857 9.861 -9.909 1.00 0.00 C ATOM 0 H ALA A 62 -3.315 10.114 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.638 8.248 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.110 9.879 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.783 9.259 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.148 10.878 -10.172 1.00 0.00 H new ATOM 921 N LYS A 63 -3.252 10.293 -7.237 1.00 0.00 N ATOM 922 CA LYS A 63 -3.449 11.116 -6.008 1.00 0.00 C ATOM 923 C LYS A 63 -4.354 10.388 -5.011 1.00 0.00 C ATOM 924 O LYS A 63 -4.552 10.837 -3.899 1.00 0.00 O ATOM 925 CB LYS A 63 -4.131 12.393 -6.494 1.00 0.00 C ATOM 926 CG LYS A 63 -3.576 13.594 -5.726 1.00 0.00 C ATOM 927 CD LYS A 63 -2.223 13.996 -6.316 1.00 0.00 C ATOM 928 CE LYS A 63 -2.047 15.513 -6.203 1.00 0.00 C ATOM 929 NZ LYS A 63 -0.610 15.756 -6.511 1.00 0.00 N ATOM 0 H LYS A 63 -4.105 9.916 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.507 11.315 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.963 12.523 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.209 12.321 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.273 14.430 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.465 13.345 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.418 13.485 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.164 13.689 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.696 16.039 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.302 15.867 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.410 16.775 -6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.017 15.248 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.398 15.415 -7.470 1.00 0.00 H new ATOM 943 N GLY A 64 -4.916 9.278 -5.398 1.00 0.00 N ATOM 944 CA GLY A 64 -5.815 8.542 -4.469 1.00 0.00 C ATOM 945 C GLY A 64 -5.020 7.506 -3.678 1.00 0.00 C ATOM 946 O GLY A 64 -4.304 6.696 -4.232 1.00 0.00 O ATOM 0 H GLY A 64 -4.792 8.850 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.296 9.242 -3.786 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.608 8.050 -5.032 1.00 0.00 H new ATOM 950 N TYR A 65 -5.153 7.525 -2.383 1.00 0.00 N ATOM 951 CA TYR A 65 -4.422 6.543 -1.537 1.00 0.00 C ATOM 952 C TYR A 65 -4.746 5.119 -2.001 1.00 0.00 C ATOM 953 O TYR A 65 -3.884 4.377 -2.425 1.00 0.00 O ATOM 954 CB TYR A 65 -4.961 6.790 -0.123 1.00 0.00 C ATOM 955 CG TYR A 65 -3.873 6.583 0.907 1.00 0.00 C ATOM 956 CD1 TYR A 65 -2.525 6.752 0.564 1.00 0.00 C ATOM 957 CD2 TYR A 65 -4.220 6.230 2.216 1.00 0.00 C ATOM 958 CE1 TYR A 65 -1.529 6.567 1.528 1.00 0.00 C ATOM 959 CE2 TYR A 65 -3.223 6.045 3.180 1.00 0.00 C ATOM 960 CZ TYR A 65 -1.877 6.213 2.836 1.00 0.00 C ATOM 961 OH TYR A 65 -0.894 6.030 3.788 1.00 0.00 O ATOM 0 H TYR A 65 -5.740 8.183 -1.871 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.339 6.654 -1.589 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.350 7.805 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.792 6.114 0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.255 7.025 -0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.259 6.100 2.482 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.490 6.698 1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.492 5.772 4.190 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.287 6.106 4.683 1.00 0.00 H new ATOM 971 N TYR A 66 -5.992 4.741 -1.924 1.00 0.00 N ATOM 972 CA TYR A 66 -6.397 3.374 -2.356 1.00 0.00 C ATOM 973 C TYR A 66 -5.657 2.946 -3.624 1.00 0.00 C ATOM 974 O TYR A 66 -4.851 2.036 -3.608 1.00 0.00 O ATOM 975 CB TYR A 66 -7.891 3.499 -2.644 1.00 0.00 C ATOM 976 CG TYR A 66 -8.595 2.229 -2.244 1.00 0.00 C ATOM 977 CD1 TYR A 66 -8.600 1.127 -3.106 1.00 0.00 C ATOM 978 CD2 TYR A 66 -9.248 2.157 -1.011 1.00 0.00 C ATOM 979 CE1 TYR A 66 -9.259 -0.050 -2.733 1.00 0.00 C ATOM 980 CE2 TYR A 66 -9.907 0.981 -0.637 1.00 0.00 C ATOM 981 CZ TYR A 66 -9.914 -0.123 -1.498 1.00 0.00 C ATOM 982 OH TYR A 66 -10.565 -1.283 -1.130 1.00 0.00 O ATOM 0 H TYR A 66 -6.753 5.325 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.165 2.625 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.307 4.344 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.051 3.696 -3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.095 1.185 -4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.244 3.009 -0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.262 -0.901 -3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.411 0.925 0.317 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.966 -1.166 -0.243 1.00 0.00 H new ATOM 992 N HIS A 67 -5.944 3.576 -4.726 1.00 0.00 N ATOM 993 CA HIS A 67 -5.282 3.192 -6.004 1.00 0.00 C ATOM 994 C HIS A 67 -3.802 2.858 -5.788 1.00 0.00 C ATOM 995 O HIS A 67 -3.417 1.707 -5.727 1.00 0.00 O ATOM 996 CB HIS A 67 -5.415 4.415 -6.909 1.00 0.00 C ATOM 997 CG HIS A 67 -4.542 4.217 -8.113 1.00 0.00 C ATOM 998 ND1 HIS A 67 -4.806 3.236 -9.052 1.00 0.00 N ATOM 999 CD2 HIS A 67 -3.385 4.829 -8.523 1.00 0.00 C ATOM 1000 CE1 HIS A 67 -3.825 3.278 -9.969 1.00 0.00 C ATOM 1001 NE2 HIS A 67 -2.933 4.234 -9.697 1.00 0.00 N ATOM 0 H HIS A 67 -6.611 4.344 -4.798 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.742 2.302 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.453 4.550 -7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.120 5.317 -6.372 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.601 2.597 -9.049 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.899 5.647 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.765 2.619 -10.822 1.00 0.00 H new ATOM 1009 N ALA A 68 -2.972 3.856 -5.694 1.00 0.00 N ATOM 1010 CA ALA A 68 -1.513 3.608 -5.508 1.00 0.00 C ATOM 1011 C ALA A 68 -1.265 2.553 -4.422 1.00 0.00 C ATOM 1012 O ALA A 68 -0.230 1.923 -4.387 1.00 0.00 O ATOM 1013 CB ALA A 68 -0.937 4.955 -5.073 1.00 0.00 C ATOM 0 H ALA A 68 -3.240 4.839 -5.738 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.051 3.230 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.137 4.857 -4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.124 5.698 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.413 5.272 -4.145 1.00 0.00 H new ATOM 1019 N MET A 69 -2.188 2.371 -3.518 1.00 0.00 N ATOM 1020 CA MET A 69 -1.969 1.374 -2.431 1.00 0.00 C ATOM 1021 C MET A 69 -2.462 -0.023 -2.818 1.00 0.00 C ATOM 1022 O MET A 69 -1.901 -1.016 -2.398 1.00 0.00 O ATOM 1023 CB MET A 69 -2.772 1.914 -1.254 1.00 0.00 C ATOM 1024 CG MET A 69 -2.179 3.251 -0.812 1.00 0.00 C ATOM 1025 SD MET A 69 -1.286 3.035 0.747 1.00 0.00 S ATOM 1026 CE MET A 69 0.174 4.009 0.302 1.00 0.00 C ATOM 0 H MET A 69 -3.079 2.866 -3.484 1.00 0.00 H new ATOM 0 HA MET A 69 -0.909 1.256 -2.208 1.00 0.00 H new ATOM 0 HB2 MET A 69 -3.816 2.042 -1.539 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.752 1.203 -0.428 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.505 3.632 -1.579 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.972 3.989 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.052 3.595 0.797 1.00 0.00 H new ATOM 0 HE2 MET A 69 0.317 3.977 -0.778 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.033 5.042 0.619 1.00 0.00 H new ATOM 1036 N HIS A 70 -3.505 -0.126 -3.591 1.00 0.00 N ATOM 1037 CA HIS A 70 -4.005 -1.481 -3.957 1.00 0.00 C ATOM 1038 C HIS A 70 -3.774 -1.773 -5.443 1.00 0.00 C ATOM 1039 O HIS A 70 -3.939 -2.889 -5.894 1.00 0.00 O ATOM 1040 CB HIS A 70 -5.499 -1.443 -3.641 1.00 0.00 C ATOM 1041 CG HIS A 70 -5.691 -1.022 -2.211 1.00 0.00 C ATOM 1042 ND1 HIS A 70 -5.971 0.288 -1.855 1.00 0.00 N ATOM 1043 CD2 HIS A 70 -5.640 -1.726 -1.035 1.00 0.00 C ATOM 1044 CE1 HIS A 70 -6.076 0.331 -0.515 1.00 0.00 C ATOM 1045 NE2 HIS A 70 -5.884 -0.871 0.034 1.00 0.00 N ATOM 0 H HIS A 70 -4.028 0.658 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 70 -3.485 -2.267 -3.410 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.007 -0.747 -4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.943 -2.425 -3.806 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.441 -2.784 -0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.289 1.228 0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.911 -1.111 1.025 1.00 0.00 H new ATOM 1053 N ASP A 71 -3.395 -0.788 -6.209 1.00 0.00 N ATOM 1054 CA ASP A 71 -3.162 -1.030 -7.661 1.00 0.00 C ATOM 1055 C ASP A 71 -1.744 -1.553 -7.901 1.00 0.00 C ATOM 1056 O ASP A 71 -0.870 -1.409 -7.072 1.00 0.00 O ATOM 1057 CB ASP A 71 -3.360 0.332 -8.320 1.00 0.00 C ATOM 1058 CG ASP A 71 -4.857 0.633 -8.394 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -5.510 0.548 -7.368 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -5.326 0.939 -9.478 1.00 0.00 O ATOM 0 H ASP A 71 -3.237 0.170 -5.895 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.838 -1.782 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.848 1.106 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.925 0.334 -9.320 1.00 0.00 H new ATOM 1065 N LYS A 72 -1.514 -2.163 -9.033 1.00 0.00 N ATOM 1066 CA LYS A 72 -0.155 -2.700 -9.332 1.00 0.00 C ATOM 1067 C LYS A 72 0.463 -1.942 -10.508 1.00 0.00 C ATOM 1068 O LYS A 72 1.516 -1.348 -10.392 1.00 0.00 O ATOM 1069 CB LYS A 72 -0.380 -4.167 -9.698 1.00 0.00 C ATOM 1070 CG LYS A 72 -1.205 -4.845 -8.603 1.00 0.00 C ATOM 1071 CD LYS A 72 -2.450 -5.483 -9.223 1.00 0.00 C ATOM 1072 CE LYS A 72 -3.703 -4.919 -8.548 1.00 0.00 C ATOM 1073 NZ LYS A 72 -3.779 -5.617 -7.236 1.00 0.00 N ATOM 0 H LYS A 72 -2.209 -2.313 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 72 0.528 -2.591 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.897 -4.239 -10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.577 -4.675 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.607 -5.604 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.495 -4.115 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.479 -5.282 -10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.415 -6.566 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.629 -3.839 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.593 -5.107 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.612 -6.239 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.920 -6.186 -7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.858 -4.915 -6.473 1.00 0.00 H new ATOM 1087 N GLY A 73 -0.188 -1.957 -11.635 1.00 0.00 N ATOM 1088 CA GLY A 73 0.353 -1.234 -12.821 1.00 0.00 C ATOM 1089 C GLY A 73 0.312 0.270 -12.553 1.00 0.00 C ATOM 1090 O GLY A 73 -0.325 1.023 -13.262 1.00 0.00 O ATOM 0 H GLY A 73 -1.074 -2.439 -11.788 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.376 -1.552 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.234 -1.474 -13.707 1.00 0.00 H new ATOM 1094 N THR A 74 0.983 0.712 -11.525 1.00 0.00 N ATOM 1095 CA THR A 74 0.982 2.165 -11.195 1.00 0.00 C ATOM 1096 C THR A 74 2.303 2.811 -11.617 1.00 0.00 C ATOM 1097 O THR A 74 3.295 2.140 -11.818 1.00 0.00 O ATOM 1098 CB THR A 74 0.841 2.214 -9.674 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.575 1.142 -9.100 1.00 0.00 O ATOM 1100 CG2 THR A 74 -0.632 2.089 -9.286 1.00 0.00 C ATOM 0 H THR A 74 1.534 0.127 -10.897 1.00 0.00 H new ATOM 0 HA THR A 74 0.185 2.703 -11.709 1.00 0.00 H new ATOM 0 HB THR A 74 1.229 3.164 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.431 1.477 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.727 2.125 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.195 2.912 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.026 1.142 -9.654 1.00 0.00 H new ATOM 1108 N LYS A 75 2.325 4.112 -11.739 1.00 0.00 N ATOM 1109 CA LYS A 75 3.584 4.805 -12.132 1.00 0.00 C ATOM 1110 C LYS A 75 4.775 4.133 -11.441 1.00 0.00 C ATOM 1111 O LYS A 75 5.860 4.051 -11.983 1.00 0.00 O ATOM 1112 CB LYS A 75 3.414 6.239 -11.626 1.00 0.00 C ATOM 1113 CG LYS A 75 4.143 7.202 -12.560 1.00 0.00 C ATOM 1114 CD LYS A 75 3.239 7.546 -13.745 1.00 0.00 C ATOM 1115 CE LYS A 75 2.236 8.621 -13.323 1.00 0.00 C ATOM 1116 NZ LYS A 75 2.002 9.432 -14.549 1.00 0.00 N ATOM 0 H LYS A 75 1.524 4.724 -11.583 1.00 0.00 H new ATOM 0 HA LYS A 75 3.768 4.771 -13.206 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.356 6.495 -11.577 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.810 6.328 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.417 8.110 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.069 6.750 -12.915 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.839 7.901 -14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.712 6.655 -14.085 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.309 8.176 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.632 9.234 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.323 10.191 -14.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.900 9.849 -14.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.619 8.823 -15.300 1.00 0.00 H new ATOM 1130 N PHE A 76 4.570 3.648 -10.247 1.00 0.00 N ATOM 1131 CA PHE A 76 5.676 2.970 -9.506 1.00 0.00 C ATOM 1132 C PHE A 76 5.146 1.731 -8.796 1.00 0.00 C ATOM 1133 O PHE A 76 3.955 1.498 -8.749 1.00 0.00 O ATOM 1134 CB PHE A 76 6.143 3.984 -8.470 1.00 0.00 C ATOM 1135 CG PHE A 76 6.518 5.266 -9.159 1.00 0.00 C ATOM 1136 CD1 PHE A 76 7.750 5.381 -9.812 1.00 0.00 C ATOM 1137 CD2 PHE A 76 5.623 6.340 -9.153 1.00 0.00 C ATOM 1138 CE1 PHE A 76 8.084 6.575 -10.460 1.00 0.00 C ATOM 1139 CE2 PHE A 76 5.956 7.530 -9.800 1.00 0.00 C ATOM 1140 CZ PHE A 76 7.185 7.648 -10.453 1.00 0.00 C ATOM 0 H PHE A 76 3.681 3.691 -9.749 1.00 0.00 H new ATOM 0 HA PHE A 76 6.478 2.656 -10.174 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.352 4.167 -7.742 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.998 3.591 -7.920 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.441 4.551 -9.816 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.673 6.248 -8.647 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.034 6.669 -10.965 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.264 8.359 -9.796 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.442 8.570 -10.954 1.00 0.00 H new ATOM 1150 N LYS A 77 6.008 0.944 -8.213 1.00 0.00 N ATOM 1151 CA LYS A 77 5.503 -0.246 -7.490 1.00 0.00 C ATOM 1152 C LYS A 77 4.733 0.227 -6.264 1.00 0.00 C ATOM 1153 O LYS A 77 5.271 0.830 -5.357 1.00 0.00 O ATOM 1154 CB LYS A 77 6.721 -1.066 -7.098 1.00 0.00 C ATOM 1155 CG LYS A 77 7.659 -0.230 -6.232 1.00 0.00 C ATOM 1156 CD LYS A 77 9.007 -0.946 -6.119 1.00 0.00 C ATOM 1157 CE LYS A 77 9.523 -1.289 -7.519 1.00 0.00 C ATOM 1158 NZ LYS A 77 9.023 -2.666 -7.789 1.00 0.00 N ATOM 0 H LYS A 77 7.020 1.073 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 77 4.831 -0.852 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.409 -1.958 -6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.244 -1.405 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.794 0.759 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.227 -0.084 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.726 -0.311 -5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.899 -1.855 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.151 -0.582 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.612 -1.250 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.819 -3.335 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.328 -2.932 -7.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.573 -2.694 -8.726 1.00 0.00 H new ATOM 1172 N SER A 78 3.467 -0.019 -6.267 1.00 0.00 N ATOM 1173 CA SER A 78 2.591 0.427 -5.147 1.00 0.00 C ATOM 1174 C SER A 78 2.712 -0.501 -3.937 1.00 0.00 C ATOM 1175 O SER A 78 3.439 -1.473 -3.951 1.00 0.00 O ATOM 1176 CB SER A 78 1.181 0.354 -5.725 1.00 0.00 C ATOM 1177 OG SER A 78 1.186 -0.501 -6.860 1.00 0.00 O ATOM 0 H SER A 78 2.983 -0.521 -7.011 1.00 0.00 H new ATOM 0 HA SER A 78 2.859 1.422 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.486 -0.022 -4.974 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.838 1.350 -6.006 1.00 0.00 H new ATOM 0 HG SER A 78 0.352 -1.015 -6.886 1.00 0.00 H new ATOM 1183 N CYS A 79 1.992 -0.201 -2.888 1.00 0.00 N ATOM 1184 CA CYS A 79 2.044 -1.053 -1.670 1.00 0.00 C ATOM 1185 C CYS A 79 1.585 -2.471 -2.013 1.00 0.00 C ATOM 1186 O CYS A 79 2.364 -3.403 -2.022 1.00 0.00 O ATOM 1187 CB CYS A 79 1.076 -0.389 -0.690 1.00 0.00 C ATOM 1188 SG CYS A 79 1.705 1.250 -0.237 1.00 0.00 S ATOM 0 H CYS A 79 1.367 0.603 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 79 3.048 -1.136 -1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.088 -0.299 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.963 -1.006 0.201 1.00 0.00 H new ATOM 0 HG CYS A 79 1.426 1.493 1.009 1.00 0.00 H new ATOM 1193 N VAL A 80 0.329 -2.635 -2.315 1.00 0.00 N ATOM 1194 CA VAL A 80 -0.177 -3.989 -2.680 1.00 0.00 C ATOM 1195 C VAL A 80 0.402 -4.395 -4.037 1.00 0.00 C ATOM 1196 O VAL A 80 0.541 -5.562 -4.343 1.00 0.00 O ATOM 1197 CB VAL A 80 -1.695 -3.839 -2.765 1.00 0.00 C ATOM 1198 CG1 VAL A 80 -2.290 -5.056 -3.475 1.00 0.00 C ATOM 1199 CG2 VAL A 80 -2.283 -3.734 -1.352 1.00 0.00 C ATOM 0 H VAL A 80 -0.370 -1.892 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 80 0.108 -4.755 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.937 -2.936 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.373 -4.949 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.876 -5.129 -4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.046 -5.959 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.366 -3.627 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.040 -4.635 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.862 -2.865 -0.846 1.00 0.00 H new ATOM 1209 N GLY A 81 0.751 -3.430 -4.849 1.00 0.00 N ATOM 1210 CA GLY A 81 1.334 -3.747 -6.185 1.00 0.00 C ATOM 1211 C GLY A 81 2.735 -4.326 -5.991 1.00 0.00 C ATOM 1212 O GLY A 81 3.117 -5.283 -6.634 1.00 0.00 O ATOM 0 H GLY A 81 0.657 -2.435 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.701 -4.461 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.380 -2.848 -6.799 1.00 0.00 H new ATOM 1216 N CYS A 82 3.496 -3.764 -5.091 1.00 0.00 N ATOM 1217 CA CYS A 82 4.863 -4.298 -4.837 1.00 0.00 C ATOM 1218 C CYS A 82 4.734 -5.545 -3.974 1.00 0.00 C ATOM 1219 O CYS A 82 5.603 -6.394 -3.936 1.00 0.00 O ATOM 1220 CB CYS A 82 5.597 -3.195 -4.073 1.00 0.00 C ATOM 1221 SG CYS A 82 7.384 -3.396 -4.287 1.00 0.00 S ATOM 0 H CYS A 82 3.230 -2.960 -4.522 1.00 0.00 H new ATOM 0 HA CYS A 82 5.396 -4.563 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.284 -2.216 -4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.340 -3.238 -3.015 1.00 0.00 H new ATOM 0 HG CYS A 82 8.003 -2.398 -3.728 1.00 0.00 H new ATOM 1226 N HIS A 83 3.634 -5.653 -3.285 1.00 0.00 N ATOM 1227 CA HIS A 83 3.398 -6.830 -2.417 1.00 0.00 C ATOM 1228 C HIS A 83 3.060 -8.047 -3.285 1.00 0.00 C ATOM 1229 O HIS A 83 3.736 -9.055 -3.238 1.00 0.00 O ATOM 1230 CB HIS A 83 2.226 -6.404 -1.532 1.00 0.00 C ATOM 1231 CG HIS A 83 2.771 -5.699 -0.323 1.00 0.00 C ATOM 1232 ND1 HIS A 83 2.065 -5.603 0.865 1.00 0.00 N ATOM 1233 CD2 HIS A 83 3.963 -5.055 -0.105 1.00 0.00 C ATOM 1234 CE1 HIS A 83 2.832 -4.928 1.738 1.00 0.00 C ATOM 1235 NE2 HIS A 83 4.000 -4.571 1.197 1.00 0.00 N ATOM 0 H HIS A 83 2.881 -4.965 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 83 4.261 -7.121 -1.819 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.555 -5.746 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.643 -7.274 -1.232 1.00 0.00 H new ATOM 0 HD1 HIS A 83 1.133 -5.977 1.044 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.752 -4.942 -0.834 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.540 -4.702 2.753 1.00 0.00 H new ATOM 1243 N LEU A 84 2.042 -7.956 -4.099 1.00 0.00 N ATOM 1244 CA LEU A 84 1.697 -9.096 -4.983 1.00 0.00 C ATOM 1245 C LEU A 84 2.938 -9.520 -5.774 1.00 0.00 C ATOM 1246 O LEU A 84 3.123 -10.678 -6.088 1.00 0.00 O ATOM 1247 CB LEU A 84 0.628 -8.532 -5.914 1.00 0.00 C ATOM 1248 CG LEU A 84 -0.597 -9.440 -5.890 1.00 0.00 C ATOM 1249 CD1 LEU A 84 -1.837 -8.633 -6.278 1.00 0.00 C ATOM 1250 CD2 LEU A 84 -0.403 -10.590 -6.880 1.00 0.00 C ATOM 0 H LEU A 84 1.437 -7.139 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 84 1.348 -9.975 -4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.353 -7.524 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.018 -8.456 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.728 -9.846 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.713 -9.281 -6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.976 -7.816 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.707 -8.225 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.279 -11.238 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.271 -10.187 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.480 -11.166 -6.601 1.00 0.00 H new ATOM 1262 N GLU A 85 3.794 -8.583 -6.085 1.00 0.00 N ATOM 1263 CA GLU A 85 5.032 -8.922 -6.845 1.00 0.00 C ATOM 1264 C GLU A 85 6.076 -9.510 -5.894 1.00 0.00 C ATOM 1265 O GLU A 85 6.699 -10.513 -6.182 1.00 0.00 O ATOM 1266 CB GLU A 85 5.520 -7.593 -7.424 1.00 0.00 C ATOM 1267 CG GLU A 85 5.420 -7.633 -8.950 1.00 0.00 C ATOM 1268 CD GLU A 85 6.081 -6.384 -9.537 1.00 0.00 C ATOM 1269 OE1 GLU A 85 6.893 -5.789 -8.849 1.00 0.00 O ATOM 1270 OE2 GLU A 85 5.762 -6.044 -10.665 1.00 0.00 O ATOM 0 H GLU A 85 3.689 -7.597 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 85 4.854 -9.661 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.921 -6.771 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.551 -7.409 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.907 -8.530 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.375 -7.682 -9.256 1.00 0.00 H new ATOM 1277 N THR A 86 6.263 -8.901 -4.754 1.00 0.00 N ATOM 1278 CA THR A 86 7.258 -9.433 -3.778 1.00 0.00 C ATOM 1279 C THR A 86 6.783 -10.793 -3.256 1.00 0.00 C ATOM 1280 O THR A 86 7.489 -11.477 -2.542 1.00 0.00 O ATOM 1281 CB THR A 86 7.307 -8.395 -2.650 1.00 0.00 C ATOM 1282 OG1 THR A 86 8.210 -7.358 -3.007 1.00 0.00 O ATOM 1283 CG2 THR A 86 7.779 -9.055 -1.351 1.00 0.00 C ATOM 0 H THR A 86 5.770 -8.059 -4.456 1.00 0.00 H new ATOM 0 HA THR A 86 8.244 -9.585 -4.218 1.00 0.00 H new ATOM 0 HB THR A 86 6.310 -7.982 -2.498 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.722 -6.643 -3.466 1.00 0.00 H new ATOM 0 HG21 THR A 86 7.811 -8.311 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.088 -9.851 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 86 8.775 -9.473 -1.496 1.00 0.00 H new ATOM 1291 N ALA A 87 5.590 -11.189 -3.613 1.00 0.00 N ATOM 1292 CA ALA A 87 5.063 -12.502 -3.146 1.00 0.00 C ATOM 1293 C ALA A 87 4.676 -13.371 -4.345 1.00 0.00 C ATOM 1294 O ALA A 87 4.091 -14.426 -4.196 1.00 0.00 O ATOM 1295 CB ALA A 87 3.826 -12.162 -2.319 1.00 0.00 C ATOM 0 H ALA A 87 4.957 -10.657 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 87 5.801 -13.060 -2.569 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.379 -13.080 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.112 -11.524 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.103 -11.639 -2.944 1.00 0.00 H new ATOM 1340 N ALA A 92 2.609 -17.353 0.658 1.00 0.00 N ATOM 1341 CA ALA A 92 2.430 -16.807 2.031 1.00 0.00 C ATOM 1342 C ALA A 92 2.560 -15.291 1.971 1.00 0.00 C ATOM 1343 O ALA A 92 1.790 -14.559 2.559 1.00 0.00 O ATOM 1344 CB ALA A 92 3.563 -17.417 2.859 1.00 0.00 C ATOM 0 HA ALA A 92 1.458 -17.043 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.496 -17.059 3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.478 -18.504 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.523 -17.123 2.434 1.00 0.00 H new ATOM 1350 N LYS A 93 3.527 -14.819 1.237 1.00 0.00 N ATOM 1351 CA LYS A 93 3.713 -13.355 1.098 1.00 0.00 C ATOM 1352 C LYS A 93 2.541 -12.776 0.308 1.00 0.00 C ATOM 1353 O LYS A 93 2.221 -11.608 0.410 1.00 0.00 O ATOM 1354 CB LYS A 93 5.016 -13.215 0.318 1.00 0.00 C ATOM 1355 CG LYS A 93 6.167 -12.957 1.291 1.00 0.00 C ATOM 1356 CD LYS A 93 7.496 -13.013 0.536 1.00 0.00 C ATOM 1357 CE LYS A 93 8.545 -12.189 1.285 1.00 0.00 C ATOM 1358 NZ LYS A 93 9.853 -12.635 0.729 1.00 0.00 N ATOM 0 H LYS A 93 4.199 -15.391 0.725 1.00 0.00 H new ATOM 0 HA LYS A 93 3.752 -12.828 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.208 -14.121 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.939 -12.395 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 93 6.046 -11.982 1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.158 -13.701 2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.829 -14.046 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.368 -12.626 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.393 -11.121 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.492 -12.365 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.624 -12.114 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.973 -13.654 0.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.877 -12.449 -0.294 1.00 0.00 H new ATOM 1372 N LYS A 94 1.891 -13.595 -0.476 1.00 0.00 N ATOM 1373 CA LYS A 94 0.730 -13.096 -1.268 1.00 0.00 C ATOM 1374 C LYS A 94 -0.454 -12.842 -0.337 1.00 0.00 C ATOM 1375 O LYS A 94 -1.475 -12.319 -0.736 1.00 0.00 O ATOM 1376 CB LYS A 94 0.412 -14.210 -2.265 1.00 0.00 C ATOM 1377 CG LYS A 94 0.851 -13.778 -3.666 1.00 0.00 C ATOM 1378 CD LYS A 94 0.054 -14.559 -4.715 1.00 0.00 C ATOM 1379 CE LYS A 94 1.021 -15.275 -5.660 1.00 0.00 C ATOM 1380 NZ LYS A 94 0.158 -16.154 -6.498 1.00 0.00 N ATOM 0 H LYS A 94 2.113 -14.583 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 94 0.944 -12.157 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.925 -15.128 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.656 -14.426 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.691 -12.708 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.918 -13.958 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.598 -15.283 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.588 -13.882 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.574 -14.563 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.757 -15.857 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.749 -16.680 -7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.350 -16.825 -5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.528 -15.572 -7.019 1.00 0.00 H new ATOM 1394 N LYS A 95 -0.309 -13.178 0.914 1.00 0.00 N ATOM 1395 CA LYS A 95 -1.400 -12.922 1.890 1.00 0.00 C ATOM 1396 C LYS A 95 -0.882 -11.857 2.838 1.00 0.00 C ATOM 1397 O LYS A 95 -1.547 -10.902 3.175 1.00 0.00 O ATOM 1398 CB LYS A 95 -1.628 -14.259 2.606 1.00 0.00 C ATOM 1399 CG LYS A 95 -1.572 -14.060 4.123 1.00 0.00 C ATOM 1400 CD LYS A 95 -2.087 -15.319 4.824 1.00 0.00 C ATOM 1401 CE LYS A 95 -1.270 -15.566 6.094 1.00 0.00 C ATOM 1402 NZ LYS A 95 -1.904 -16.752 6.734 1.00 0.00 N ATOM 0 H LYS A 95 0.523 -13.621 1.303 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.336 -12.577 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.595 -14.673 2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.870 -14.979 2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.549 -13.850 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.176 -13.199 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.142 -15.203 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.010 -16.177 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.223 -15.757 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.296 -14.700 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.399 -16.984 7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.898 -16.539 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.859 -17.563 6.084 1.00 0.00 H new ATOM 1416 N GLU A 96 0.338 -12.028 3.236 1.00 0.00 N ATOM 1417 CA GLU A 96 0.998 -11.064 4.134 1.00 0.00 C ATOM 1418 C GLU A 96 1.175 -9.722 3.419 1.00 0.00 C ATOM 1419 O GLU A 96 0.952 -8.667 3.979 1.00 0.00 O ATOM 1420 CB GLU A 96 2.348 -11.721 4.384 1.00 0.00 C ATOM 1421 CG GLU A 96 2.368 -12.330 5.782 1.00 0.00 C ATOM 1422 CD GLU A 96 3.815 -12.477 6.257 1.00 0.00 C ATOM 1423 OE1 GLU A 96 4.675 -11.831 5.681 1.00 0.00 O ATOM 1424 OE2 GLU A 96 4.038 -13.232 7.188 1.00 0.00 O ATOM 0 H GLU A 96 0.920 -12.821 2.966 1.00 0.00 H new ATOM 0 HA GLU A 96 0.442 -10.854 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.532 -12.493 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.146 -10.985 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.810 -11.698 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.877 -13.303 5.773 1.00 0.00 H new ATOM 1431 N LEU A 97 1.584 -9.765 2.182 1.00 0.00 N ATOM 1432 CA LEU A 97 1.797 -8.512 1.404 1.00 0.00 C ATOM 1433 C LEU A 97 0.492 -8.011 0.786 1.00 0.00 C ATOM 1434 O LEU A 97 0.046 -6.915 1.065 1.00 0.00 O ATOM 1435 CB LEU A 97 2.789 -8.911 0.320 1.00 0.00 C ATOM 1436 CG LEU A 97 4.008 -9.558 0.975 1.00 0.00 C ATOM 1437 CD1 LEU A 97 5.153 -9.593 -0.029 1.00 0.00 C ATOM 1438 CD2 LEU A 97 4.431 -8.741 2.198 1.00 0.00 C ATOM 0 H LEU A 97 1.782 -10.625 1.671 1.00 0.00 H new ATOM 0 HA LEU A 97 2.160 -7.696 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.324 -9.606 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.091 -8.035 -0.255 1.00 0.00 H new ATOM 0 HG LEU A 97 3.758 -10.572 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.027 -10.054 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.854 -10.174 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.398 -8.576 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.301 -9.205 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.683 -7.727 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.611 -8.708 2.915 1.00 0.00 H new ATOM 1450 N THR A 98 -0.112 -8.782 -0.067 1.00 0.00 N ATOM 1451 CA THR A 98 -1.373 -8.317 -0.713 1.00 0.00 C ATOM 1452 C THR A 98 -2.599 -8.704 0.106 1.00 0.00 C ATOM 1453 O THR A 98 -3.643 -8.092 -0.005 1.00 0.00 O ATOM 1454 CB THR A 98 -1.406 -9.006 -2.071 1.00 0.00 C ATOM 1455 OG1 THR A 98 -1.175 -10.396 -1.903 1.00 0.00 O ATOM 1456 CG2 THR A 98 -0.324 -8.410 -2.967 1.00 0.00 C ATOM 0 H THR A 98 0.207 -9.710 -0.347 1.00 0.00 H new ATOM 0 HA THR A 98 -1.394 -7.230 -0.797 1.00 0.00 H new ATOM 0 HB THR A 98 -2.382 -8.857 -2.533 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.831 -10.763 -1.274 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.346 -8.902 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.505 -7.343 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.653 -8.559 -2.507 1.00 0.00 H new ATOM 1464 N GLY A 99 -2.498 -9.705 0.924 1.00 0.00 N ATOM 1465 CA GLY A 99 -3.677 -10.098 1.732 1.00 0.00 C ATOM 1466 C GLY A 99 -4.262 -8.852 2.381 1.00 0.00 C ATOM 1467 O GLY A 99 -3.572 -8.085 3.019 1.00 0.00 O ATOM 0 H GLY A 99 -1.658 -10.265 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.423 -10.581 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.388 -10.821 2.495 1.00 0.00 H new ATOM 1471 N CYS A 100 -5.527 -8.633 2.223 1.00 0.00 N ATOM 1472 CA CYS A 100 -6.140 -7.431 2.847 1.00 0.00 C ATOM 1473 C CYS A 100 -6.376 -7.696 4.323 1.00 0.00 C ATOM 1474 O CYS A 100 -5.801 -7.065 5.177 1.00 0.00 O ATOM 1475 CB CYS A 100 -7.487 -7.201 2.160 1.00 0.00 C ATOM 1476 SG CYS A 100 -7.552 -8.034 0.547 1.00 0.00 S ATOM 0 H CYS A 100 -6.165 -9.227 1.693 1.00 0.00 H new ATOM 0 HA CYS A 100 -5.490 -6.563 2.739 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.291 -7.571 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -7.653 -6.132 2.027 1.00 0.00 H new ATOM 0 HG CYS A 100 -8.709 -7.819 -0.006 1.00 0.00 H new ATOM 1481 N LYS A 101 -7.224 -8.624 4.630 1.00 0.00 N ATOM 1482 CA LYS A 101 -7.498 -8.920 6.061 1.00 0.00 C ATOM 1483 C LYS A 101 -6.682 -10.132 6.520 1.00 0.00 C ATOM 1484 O LYS A 101 -6.864 -11.233 6.042 1.00 0.00 O ATOM 1485 CB LYS A 101 -8.995 -9.220 6.129 1.00 0.00 C ATOM 1486 CG LYS A 101 -9.284 -10.546 5.424 1.00 0.00 C ATOM 1487 CD LYS A 101 -10.616 -10.448 4.677 1.00 0.00 C ATOM 1488 CE LYS A 101 -10.767 -11.650 3.741 1.00 0.00 C ATOM 1489 NZ LYS A 101 -12.026 -11.394 2.988 1.00 0.00 N ATOM 0 H LYS A 101 -7.741 -9.192 3.958 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.222 -8.090 6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.319 -9.271 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.559 -8.415 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.480 -10.782 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.322 -11.356 6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.442 -10.421 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.657 -9.521 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.914 -11.736 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.825 -12.583 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.199 -12.176 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.821 -11.324 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.939 -10.503 2.458 1.00 0.00 H new ATOM 1503 N GLY A 102 -5.782 -9.935 7.446 1.00 0.00 N ATOM 1504 CA GLY A 102 -4.955 -11.075 7.937 1.00 0.00 C ATOM 1505 C GLY A 102 -3.527 -10.938 7.406 1.00 0.00 C ATOM 1506 O GLY A 102 -2.646 -11.693 7.768 1.00 0.00 O ATOM 0 H GLY A 102 -5.584 -9.035 7.883 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.949 -11.090 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.387 -12.020 7.608 1.00 0.00 H new ATOM 1510 N SER A 103 -3.289 -9.983 6.549 1.00 0.00 N ATOM 1511 CA SER A 103 -1.919 -9.801 5.997 1.00 0.00 C ATOM 1512 C SER A 103 -1.040 -9.036 6.986 1.00 0.00 C ATOM 1513 O SER A 103 -1.246 -9.076 8.183 1.00 0.00 O ATOM 1514 CB SER A 103 -2.112 -8.985 4.723 1.00 0.00 C ATOM 1515 OG SER A 103 -2.649 -7.713 5.060 1.00 0.00 O ATOM 0 H SER A 103 -3.986 -9.321 6.208 1.00 0.00 H new ATOM 0 HA SER A 103 -1.426 -10.754 5.806 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.160 -8.866 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.783 -9.507 4.041 1.00 0.00 H new ATOM 0 HG SER A 103 -3.217 -7.393 4.328 1.00 0.00 H new ATOM 1521 N LYS A 104 -0.066 -8.330 6.485 1.00 0.00 N ATOM 1522 CA LYS A 104 0.832 -7.544 7.370 1.00 0.00 C ATOM 1523 C LYS A 104 0.421 -6.084 7.312 1.00 0.00 C ATOM 1524 O LYS A 104 0.664 -5.305 8.212 1.00 0.00 O ATOM 1525 CB LYS A 104 2.210 -7.707 6.749 1.00 0.00 C ATOM 1526 CG LYS A 104 2.691 -9.148 6.928 1.00 0.00 C ATOM 1527 CD LYS A 104 3.868 -9.176 7.905 1.00 0.00 C ATOM 1528 CE LYS A 104 3.753 -10.404 8.810 1.00 0.00 C ATOM 1529 NZ LYS A 104 2.696 -10.054 9.799 1.00 0.00 N ATOM 0 H LYS A 104 0.147 -8.264 5.490 1.00 0.00 H new ATOM 0 HA LYS A 104 0.801 -7.869 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.174 -7.455 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.914 -7.018 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 104 1.878 -9.770 7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.993 -9.564 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.809 -9.203 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.876 -8.267 8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.481 -11.292 8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.700 -10.621 9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.107 -10.036 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.305 -9.117 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.937 -10.764 9.762 1.00 0.00 H new ATOM 1543 N CYS A 105 -0.180 -5.720 6.224 1.00 0.00 N ATOM 1544 CA CYS A 105 -0.604 -4.318 6.023 1.00 0.00 C ATOM 1545 C CYS A 105 -1.910 -4.031 6.774 1.00 0.00 C ATOM 1546 O CYS A 105 -2.130 -2.936 7.253 1.00 0.00 O ATOM 1547 CB CYS A 105 -0.805 -4.228 4.514 1.00 0.00 C ATOM 1548 SG CYS A 105 -0.043 -2.708 3.889 1.00 0.00 S ATOM 0 H CYS A 105 -0.399 -6.348 5.451 1.00 0.00 H new ATOM 0 HA CYS A 105 0.116 -3.592 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -0.362 -5.096 4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.869 -4.237 4.277 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.213 -2.634 2.602 1.00 0.00 H new ATOM 1553 N HIS A 106 -2.776 -5.000 6.887 1.00 0.00 N ATOM 1554 CA HIS A 106 -4.062 -4.770 7.613 1.00 0.00 C ATOM 1555 C HIS A 106 -4.118 -5.635 8.875 1.00 0.00 C ATOM 1556 O HIS A 106 -4.795 -6.644 8.918 1.00 0.00 O ATOM 1557 CB HIS A 106 -5.152 -5.191 6.629 1.00 0.00 C ATOM 1558 CG HIS A 106 -5.494 -4.034 5.730 1.00 0.00 C ATOM 1559 ND1 HIS A 106 -5.474 -2.726 6.185 1.00 0.00 N ATOM 1560 CD2 HIS A 106 -5.819 -3.967 4.393 1.00 0.00 C ATOM 1561 CE1 HIS A 106 -5.768 -1.929 5.144 1.00 0.00 C ATOM 1562 NE2 HIS A 106 -5.980 -2.626 4.025 1.00 0.00 N ATOM 0 H HIS A 106 -2.652 -5.940 6.510 1.00 0.00 H new ATOM 0 HA HIS A 106 -4.177 -3.734 7.931 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -4.812 -6.039 6.034 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -6.039 -5.518 7.171 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -5.932 -4.815 3.733 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -5.826 -0.852 5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -6.210 -2.260 3.101 1.00 0.00 H new ATOM 1570 N SER A 107 -3.412 -5.251 9.903 1.00 0.00 N ATOM 1571 CA SER A 107 -3.427 -6.055 11.160 1.00 0.00 C ATOM 1572 C SER A 107 -4.835 -6.071 11.761 1.00 0.00 C ATOM 1573 O SER A 107 -5.077 -6.891 12.630 1.00 0.00 O ATOM 1574 CB SER A 107 -2.452 -5.343 12.096 1.00 0.00 C ATOM 1575 OG SER A 107 -1.120 -5.642 11.700 1.00 0.00 O ATOM 1576 OXT SER A 107 -5.645 -5.260 11.342 1.00 0.00 O ATOM 0 H SER A 107 -2.826 -4.417 9.928 1.00 0.00 H new ATOM 0 HA SER A 107 -3.144 -7.094 10.990 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.620 -4.266 12.065 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.618 -5.662 13.125 1.00 0.00 H new ATOM 0 HG SER A 107 -0.491 -5.186 12.297 1.00 0.00 H new