USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot -112:sc= 0.347 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.326 F(o=0,f=0.67) USER MOD Set 2.1: A 23 SER OG : rot 175:sc= 0.233 USER MOD Set 2.2: A 90 THR OG1 : rot -62:sc= 0.178 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot -73:sc= 0.864 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0518 (180deg=-0.353) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0732 (180deg=-0.236) USER MOD Single : A 4 MET CE :methyl 165:sc=-0.00214 (180deg=-0.145) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -39:sc= 0.64 USER MOD Single : A 20 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.7!) USER MOD Single : A 24 MET CE :methyl -157:sc= -0.1 (180deg=-0.516) USER MOD Single : A 29 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.17) USER MOD Single : A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 42 HIS : no HE2:sc= 0.123 K(o=0.12,f=-0.52) USER MOD Single : A 45 GLN : amide:sc= -0.0299 K(o=-0.03,f=-3.1!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -138:sc= -0.486 (180deg=-1.27) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -77:sc= 0.111 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0475 F(o=-1.8!,f=-0.047) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -136:sc= 0.253 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.381 K(o=-0.38,f=-1.2) USER MOD Single : A 92 LYS NZ :NH3+ -143:sc= -0.611 (180deg=-0.84) USER MOD Single : A 95 LYS NZ :NH3+ -143:sc= -1.36 (180deg=-3.78!) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.0412 (180deg=-0.362) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.895 15.564 -6.108 1.00 0.00 N ATOM 2 CA MET A 1 8.922 15.182 -7.114 1.00 0.00 C ATOM 3 C MET A 1 10.345 15.325 -6.550 1.00 0.00 C ATOM 4 O MET A 1 11.054 16.300 -6.821 1.00 0.00 O ATOM 5 CB MET A 1 8.720 16.037 -8.381 1.00 0.00 C ATOM 6 CG MET A 1 8.530 17.530 -8.120 1.00 0.00 C ATOM 7 SD MET A 1 8.313 18.490 -9.634 1.00 0.00 S ATOM 8 CE MET A 1 6.742 17.867 -10.234 1.00 0.00 C ATOM 0 H1 MET A 1 6.963 15.620 -6.567 1.00 0.00 H new ATOM 0 H2 MET A 1 7.867 14.850 -5.352 1.00 0.00 H new ATOM 0 H3 MET A 1 8.136 16.490 -5.700 1.00 0.00 H new ATOM 0 HA MET A 1 8.801 14.130 -7.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.582 15.903 -9.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.850 15.663 -8.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.661 17.673 -7.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.394 17.911 -7.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.353 18.538 -10.999 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.883 16.874 -10.660 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.034 17.809 -9.407 1.00 0.00 H new ATOM 20 N GLY A 2 10.752 14.323 -5.766 1.00 0.00 N ATOM 21 CA GLY A 2 12.074 14.311 -5.168 1.00 0.00 C ATOM 22 C GLY A 2 12.377 12.979 -4.502 1.00 0.00 C ATOM 23 O GLY A 2 11.456 12.201 -4.246 1.00 0.00 O ATOM 0 H GLY A 2 10.178 13.512 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.822 14.513 -5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.148 15.111 -4.432 1.00 0.00 H new ATOM 27 N PRO A 3 13.665 12.676 -4.214 1.00 0.00 N ATOM 28 CA PRO A 3 14.046 11.419 -3.588 1.00 0.00 C ATOM 29 C PRO A 3 13.927 11.444 -2.062 1.00 0.00 C ATOM 30 O PRO A 3 14.494 12.312 -1.392 1.00 0.00 O ATOM 31 CB PRO A 3 15.498 11.253 -4.028 1.00 0.00 C ATOM 32 CG PRO A 3 16.023 12.626 -4.261 1.00 0.00 C ATOM 33 CD PRO A 3 14.844 13.525 -4.488 1.00 0.00 C ATOM 0 HA PRO A 3 13.394 10.597 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.080 10.739 -3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.563 10.653 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.605 12.965 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.689 12.641 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.872 14.389 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.828 13.907 -5.509 1.00 0.00 H new ATOM 41 N MET A 4 13.182 10.476 -1.529 1.00 0.00 N ATOM 42 CA MET A 4 12.970 10.356 -0.088 1.00 0.00 C ATOM 43 C MET A 4 13.297 8.924 0.380 1.00 0.00 C ATOM 44 O MET A 4 13.250 7.998 -0.434 1.00 0.00 O ATOM 45 CB MET A 4 11.522 10.755 0.273 1.00 0.00 C ATOM 46 CG MET A 4 10.442 9.958 -0.455 1.00 0.00 C ATOM 47 SD MET A 4 9.887 8.505 0.461 1.00 0.00 S ATOM 48 CE MET A 4 8.915 9.259 1.762 1.00 0.00 C ATOM 0 H MET A 4 12.712 9.758 -2.080 1.00 0.00 H new ATOM 0 HA MET A 4 13.643 11.038 0.432 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.383 10.633 1.347 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.385 11.813 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.587 10.607 -0.645 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.825 9.643 -1.426 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.298 8.499 2.242 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.580 9.706 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.274 10.031 1.336 1.00 0.00 H new ATOM 58 N PRO A 5 13.653 8.717 1.689 1.00 0.00 N ATOM 59 CA PRO A 5 14.000 7.383 2.225 1.00 0.00 C ATOM 60 C PRO A 5 12.969 6.304 1.891 1.00 0.00 C ATOM 61 O PRO A 5 11.767 6.502 2.081 1.00 0.00 O ATOM 62 CB PRO A 5 14.050 7.613 3.736 1.00 0.00 C ATOM 63 CG PRO A 5 14.428 9.042 3.884 1.00 0.00 C ATOM 64 CD PRO A 5 13.767 9.760 2.741 1.00 0.00 C ATOM 0 HA PRO A 5 14.930 7.015 1.793 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.086 7.408 4.201 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.779 6.958 4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.092 9.438 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.510 9.166 3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.790 10.151 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.363 10.607 2.402 1.00 0.00 H new ATOM 72 N LYS A 6 13.464 5.166 1.385 1.00 0.00 N ATOM 73 CA LYS A 6 12.619 4.028 1.002 1.00 0.00 C ATOM 74 C LYS A 6 11.763 3.545 2.170 1.00 0.00 C ATOM 75 O LYS A 6 12.257 3.388 3.289 1.00 0.00 O ATOM 76 CB LYS A 6 13.481 2.866 0.499 1.00 0.00 C ATOM 77 CG LYS A 6 14.325 3.197 -0.727 1.00 0.00 C ATOM 78 CD LYS A 6 15.172 2.009 -1.177 1.00 0.00 C ATOM 79 CE LYS A 6 14.338 0.928 -1.855 1.00 0.00 C ATOM 80 NZ LYS A 6 15.172 -0.226 -2.292 1.00 0.00 N ATOM 0 H LYS A 6 14.460 5.009 1.230 1.00 0.00 H new ATOM 0 HA LYS A 6 11.959 4.371 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.141 2.543 1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.832 2.023 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.672 3.507 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.976 4.042 -0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.943 2.355 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.683 1.583 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.568 0.579 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.826 1.353 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.567 -0.939 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.891 0.102 -2.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.641 -0.648 -1.465 1.00 0.00 H new ATOM 94 N LEU A 7 10.482 3.306 1.890 1.00 0.00 N ATOM 95 CA LEU A 7 9.543 2.832 2.901 1.00 0.00 C ATOM 96 C LEU A 7 9.725 1.332 3.127 1.00 0.00 C ATOM 97 O LEU A 7 9.583 0.841 4.249 1.00 0.00 O ATOM 98 CB LEU A 7 8.101 3.139 2.464 1.00 0.00 C ATOM 99 CG LEU A 7 7.011 2.900 3.522 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.106 3.924 4.647 1.00 0.00 C ATOM 101 CD2 LEU A 7 5.633 2.942 2.879 1.00 0.00 C ATOM 0 H LEU A 7 10.071 3.434 0.965 1.00 0.00 H new ATOM 0 HA LEU A 7 9.741 3.350 3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.052 4.181 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.870 2.531 1.589 1.00 0.00 H new ATOM 0 HG LEU A 7 7.167 1.911 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.324 3.732 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.081 3.847 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.981 4.927 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.871 2.771 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.475 3.918 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.564 2.167 2.116 1.00 0.00 H new ATOM 113 N ALA A 8 10.052 0.616 2.046 1.00 0.00 N ATOM 114 CA ALA A 8 10.271 -0.828 2.101 1.00 0.00 C ATOM 115 C ALA A 8 11.346 -1.253 1.102 1.00 0.00 C ATOM 116 O ALA A 8 11.770 -0.456 0.261 1.00 0.00 O ATOM 117 CB ALA A 8 8.970 -1.572 1.830 1.00 0.00 C ATOM 0 H ALA A 8 10.171 1.020 1.117 1.00 0.00 H new ATOM 0 HA ALA A 8 10.617 -1.083 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.149 -2.646 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.230 -1.296 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.599 -1.307 0.840 1.00 0.00 H new ATOM 123 N ASP A 9 11.784 -2.511 1.204 1.00 0.00 N ATOM 124 CA ASP A 9 12.814 -3.046 0.314 1.00 0.00 C ATOM 125 C ASP A 9 12.228 -4.079 -0.651 1.00 0.00 C ATOM 126 O ASP A 9 12.392 -3.962 -1.867 1.00 0.00 O ATOM 127 CB ASP A 9 13.952 -3.673 1.128 1.00 0.00 C ATOM 128 CG ASP A 9 14.691 -2.660 1.987 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.064 -2.079 2.899 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.897 -2.447 1.745 1.00 0.00 O ATOM 0 H ASP A 9 11.440 -3.177 1.895 1.00 0.00 H new ATOM 0 HA ASP A 9 13.212 -2.218 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.546 -4.457 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.658 -4.150 0.448 1.00 0.00 H new ATOM 135 N ARG A 10 11.546 -5.087 -0.099 1.00 0.00 N ATOM 136 CA ARG A 10 10.930 -6.144 -0.907 1.00 0.00 C ATOM 137 C ARG A 10 9.411 -6.142 -0.742 1.00 0.00 C ATOM 138 O ARG A 10 8.892 -5.788 0.320 1.00 0.00 O ATOM 139 CB ARG A 10 11.484 -7.528 -0.533 1.00 0.00 C ATOM 140 CG ARG A 10 12.889 -7.827 -1.056 1.00 0.00 C ATOM 141 CD ARG A 10 13.976 -7.181 -0.211 1.00 0.00 C ATOM 142 NE ARG A 10 15.317 -7.498 -0.706 1.00 0.00 N ATOM 143 CZ ARG A 10 16.451 -7.063 -0.146 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.426 -6.287 0.934 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.618 -7.407 -0.674 1.00 0.00 N ATOM 0 H ARG A 10 11.406 -5.193 0.906 1.00 0.00 H new ATOM 0 HA ARG A 10 11.176 -5.938 -1.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.491 -7.618 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.802 -8.290 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.043 -8.906 -1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.974 -7.473 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.837 -6.100 -0.207 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.881 -7.519 0.821 1.00 0.00 H new ATOM 0 HE ARG A 10 15.391 -8.090 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.533 -6.016 1.347 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.299 -5.963 1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.648 -8.000 -1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.486 -7.078 -0.251 1.00 0.00 H new ATOM 159 N LYS A 11 8.712 -6.536 -1.808 1.00 0.00 N ATOM 160 CA LYS A 11 7.251 -6.584 -1.813 1.00 0.00 C ATOM 161 C LYS A 11 6.747 -7.958 -2.269 1.00 0.00 C ATOM 162 O LYS A 11 7.539 -8.825 -2.639 1.00 0.00 O ATOM 163 CB LYS A 11 6.708 -5.483 -2.733 1.00 0.00 C ATOM 164 CG LYS A 11 7.213 -5.581 -4.167 1.00 0.00 C ATOM 165 CD LYS A 11 6.936 -4.312 -4.947 1.00 0.00 C ATOM 166 CE LYS A 11 7.415 -4.425 -6.385 1.00 0.00 C ATOM 167 NZ LYS A 11 7.149 -3.181 -7.158 1.00 0.00 N ATOM 0 H LYS A 11 9.140 -6.829 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 11 6.891 -6.418 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.619 -5.529 -2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.985 -4.511 -2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.285 -5.779 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.735 -6.425 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.866 -4.102 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.432 -3.471 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.484 -4.638 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.918 -5.266 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.490 -3.299 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.126 -2.991 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.644 -2.383 -6.712 1.00 0.00 H new ATOM 181 N LEU A 12 5.423 -8.138 -2.243 1.00 0.00 N ATOM 182 CA LEU A 12 4.797 -9.393 -2.660 1.00 0.00 C ATOM 183 C LEU A 12 3.833 -9.151 -3.816 1.00 0.00 C ATOM 184 O LEU A 12 2.874 -8.390 -3.679 1.00 0.00 O ATOM 185 CB LEU A 12 4.049 -10.045 -1.487 1.00 0.00 C ATOM 186 CG LEU A 12 4.923 -10.548 -0.330 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.057 -10.909 0.867 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.756 -11.752 -0.758 1.00 0.00 C ATOM 0 H LEU A 12 4.762 -7.425 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 12 5.586 -10.069 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.336 -9.323 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.471 -10.885 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 12 5.604 -9.745 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.690 -11.264 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.505 -10.029 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.355 -11.693 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.366 -12.089 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.094 -12.559 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.404 -11.470 -1.588 1.00 0.00 H new ATOM 200 N CYS A 13 4.103 -9.798 -4.952 1.00 0.00 N ATOM 201 CA CYS A 13 3.271 -9.659 -6.147 1.00 0.00 C ATOM 202 C CYS A 13 2.811 -11.031 -6.648 1.00 0.00 C ATOM 203 O CYS A 13 3.211 -12.062 -6.102 1.00 0.00 O ATOM 204 CB CYS A 13 4.053 -8.935 -7.247 1.00 0.00 C ATOM 205 SG CYS A 13 4.747 -7.326 -6.737 1.00 0.00 S ATOM 0 H CYS A 13 4.897 -10.427 -5.068 1.00 0.00 H new ATOM 0 HA CYS A 13 2.389 -9.072 -5.888 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.866 -9.579 -7.583 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.395 -8.780 -8.102 1.00 0.00 H new ATOM 210 N ALA A 14 1.971 -11.033 -7.690 1.00 0.00 N ATOM 211 CA ALA A 14 1.457 -12.276 -8.270 1.00 0.00 C ATOM 212 C ALA A 14 2.492 -12.924 -9.185 1.00 0.00 C ATOM 213 O ALA A 14 2.637 -14.149 -9.199 1.00 0.00 O ATOM 214 CB ALA A 14 0.163 -12.017 -9.032 1.00 0.00 C ATOM 0 H ALA A 14 1.634 -10.186 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 14 1.248 -12.966 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.203 -12.952 -9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.585 -11.609 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.350 -11.304 -9.835 1.00 0.00 H new ATOM 220 N ASP A 15 3.207 -12.092 -9.947 1.00 0.00 N ATOM 221 CA ASP A 15 4.235 -12.571 -10.872 1.00 0.00 C ATOM 222 C ASP A 15 5.551 -11.825 -10.658 1.00 0.00 C ATOM 223 O ASP A 15 5.607 -10.854 -9.899 1.00 0.00 O ATOM 224 CB ASP A 15 3.775 -12.409 -12.327 1.00 0.00 C ATOM 225 CG ASP A 15 2.646 -13.355 -12.699 1.00 0.00 C ATOM 226 OD1 ASP A 15 1.554 -13.244 -12.106 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.859 -14.208 -13.586 1.00 0.00 O ATOM 0 H ASP A 15 3.091 -11.079 -9.940 1.00 0.00 H new ATOM 0 HA ASP A 15 4.397 -13.630 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.449 -11.381 -12.487 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.621 -12.582 -12.992 1.00 0.00 H new ATOM 232 N GLN A 16 6.605 -12.289 -11.342 1.00 0.00 N ATOM 233 CA GLN A 16 7.936 -11.683 -11.248 1.00 0.00 C ATOM 234 C GLN A 16 7.946 -10.277 -11.864 1.00 0.00 C ATOM 235 O GLN A 16 8.825 -9.464 -11.567 1.00 0.00 O ATOM 236 CB GLN A 16 8.964 -12.587 -11.944 1.00 0.00 C ATOM 237 CG GLN A 16 10.415 -12.206 -11.679 1.00 0.00 C ATOM 238 CD GLN A 16 11.399 -13.124 -12.378 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.428 -14.330 -12.129 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.215 -12.558 -13.262 1.00 0.00 N ATOM 0 H GLN A 16 6.558 -13.090 -11.972 1.00 0.00 H new ATOM 0 HA GLN A 16 8.202 -11.584 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.805 -13.615 -11.619 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.784 -12.561 -13.019 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.583 -11.181 -12.009 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.602 -12.230 -10.605 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.158 -11.555 -13.439 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.898 -13.127 -13.763 1.00 0.00 H new ATOM 249 N GLU A 17 6.951 -9.999 -12.710 1.00 0.00 N ATOM 250 CA GLU A 17 6.826 -8.698 -13.362 1.00 0.00 C ATOM 251 C GLU A 17 6.013 -7.738 -12.502 1.00 0.00 C ATOM 252 O GLU A 17 6.077 -6.521 -12.700 1.00 0.00 O ATOM 253 CB GLU A 17 6.140 -8.847 -14.730 1.00 0.00 C ATOM 254 CG GLU A 17 6.933 -9.658 -15.751 1.00 0.00 C ATOM 255 CD GLU A 17 8.161 -8.933 -16.283 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.107 -8.695 -15.501 1.00 0.00 O ATOM 257 OE2 GLU A 17 8.174 -8.602 -17.487 1.00 0.00 O ATOM 0 H GLU A 17 6.218 -10.663 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 17 7.830 -8.296 -13.498 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.168 -9.319 -14.585 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.954 -7.854 -15.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.245 -10.597 -15.294 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.281 -9.912 -16.587 1.00 0.00 H new ATOM 264 N CYS A 18 5.235 -8.309 -11.561 1.00 0.00 N ATOM 265 CA CYS A 18 4.366 -7.538 -10.659 1.00 0.00 C ATOM 266 C CYS A 18 3.406 -6.664 -11.477 1.00 0.00 C ATOM 267 O CYS A 18 3.002 -5.574 -11.060 1.00 0.00 O ATOM 268 CB CYS A 18 5.196 -6.692 -9.677 1.00 0.00 C ATOM 269 SG CYS A 18 4.250 -6.064 -8.250 1.00 0.00 S ATOM 0 H CYS A 18 5.194 -9.317 -11.408 1.00 0.00 H new ATOM 0 HA CYS A 18 3.775 -8.235 -10.064 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.029 -7.293 -9.311 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.625 -5.847 -10.215 1.00 0.00 H new ATOM 274 N SER A 19 3.059 -7.175 -12.659 1.00 0.00 N ATOM 275 CA SER A 19 2.164 -6.495 -13.583 1.00 0.00 C ATOM 276 C SER A 19 0.753 -7.086 -13.495 1.00 0.00 C ATOM 277 O SER A 19 -0.081 -6.890 -14.384 1.00 0.00 O ATOM 278 CB SER A 19 2.731 -6.612 -14.999 1.00 0.00 C ATOM 279 OG SER A 19 1.941 -5.908 -15.942 1.00 0.00 O ATOM 0 H SER A 19 3.395 -8.076 -12.999 1.00 0.00 H new ATOM 0 HA SER A 19 2.090 -5.440 -13.318 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.749 -6.224 -15.016 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.786 -7.663 -15.283 1.00 0.00 H new ATOM 0 HG SER A 19 0.992 -6.028 -15.728 1.00 0.00 H new ATOM 285 N HIS A 20 0.504 -7.814 -12.403 1.00 0.00 N ATOM 286 CA HIS A 20 -0.789 -8.450 -12.161 1.00 0.00 C ATOM 287 C HIS A 20 -1.422 -7.972 -10.847 1.00 0.00 C ATOM 288 O HIS A 20 -0.702 -7.671 -9.892 1.00 0.00 O ATOM 289 CB HIS A 20 -0.621 -9.972 -12.104 1.00 0.00 C ATOM 290 CG HIS A 20 -0.775 -10.691 -13.414 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.746 -12.061 -13.492 1.00 0.00 N ATOM 292 CD2 HIS A 20 -0.998 -10.251 -14.681 1.00 0.00 C ATOM 293 CE1 HIS A 20 -0.949 -12.442 -14.733 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.104 -11.364 -15.481 1.00 0.00 N ATOM 0 H HIS A 20 1.191 -7.977 -11.667 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.447 -8.171 -12.984 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.367 -10.196 -11.701 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.351 -10.374 -11.401 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.077 -9.222 -14.999 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.983 -13.463 -15.082 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.274 -11.358 -16.487 1.00 0.00 H new ATOM 303 N PRO A 21 -2.783 -7.911 -10.765 1.00 0.00 N ATOM 304 CA PRO A 21 -3.480 -7.491 -9.558 1.00 0.00 C ATOM 305 C PRO A 21 -3.787 -8.673 -8.635 1.00 0.00 C ATOM 306 O PRO A 21 -4.482 -9.617 -9.029 1.00 0.00 O ATOM 307 CB PRO A 21 -4.773 -6.870 -10.102 1.00 0.00 C ATOM 308 CG PRO A 21 -4.973 -7.440 -11.478 1.00 0.00 C ATOM 309 CD PRO A 21 -3.753 -8.257 -11.822 1.00 0.00 C ATOM 0 HA PRO A 21 -2.890 -6.805 -8.951 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.619 -7.107 -9.457 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.696 -5.783 -10.139 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.869 -8.060 -11.508 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.115 -6.641 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.975 -9.324 -11.826 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.371 -8.007 -12.812 1.00 0.00 H new ATOM 317 N ILE A 22 -3.256 -8.621 -7.410 1.00 0.00 N ATOM 318 CA ILE A 22 -3.463 -9.689 -6.431 1.00 0.00 C ATOM 319 C ILE A 22 -4.941 -9.824 -6.071 1.00 0.00 C ATOM 320 O ILE A 22 -5.550 -10.855 -6.337 1.00 0.00 O ATOM 321 CB ILE A 22 -2.641 -9.462 -5.136 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.152 -9.288 -5.475 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.842 -10.634 -4.166 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.308 -8.793 -4.316 1.00 0.00 C ATOM 0 H ILE A 22 -2.679 -7.850 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.117 -10.610 -6.901 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.993 -8.551 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.754 -10.243 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.058 -8.587 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.259 -10.461 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.898 -10.715 -3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.512 -11.559 -4.639 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.729 -8.697 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.677 -7.822 -3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.369 -9.504 -3.492 1.00 0.00 H new ATOM 336 N SER A 23 -5.507 -8.785 -5.454 1.00 0.00 N ATOM 337 CA SER A 23 -6.910 -8.815 -5.051 1.00 0.00 C ATOM 338 C SER A 23 -7.593 -7.470 -5.260 1.00 0.00 C ATOM 339 O SER A 23 -6.983 -6.411 -5.084 1.00 0.00 O ATOM 340 CB SER A 23 -7.027 -9.217 -3.579 1.00 0.00 C ATOM 341 OG SER A 23 -6.448 -10.490 -3.348 1.00 0.00 O ATOM 0 H SER A 23 -5.018 -7.920 -5.225 1.00 0.00 H new ATOM 0 HA SER A 23 -7.410 -9.551 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.534 -8.472 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.077 -9.233 -3.286 1.00 0.00 H new ATOM 0 HG SER A 23 -6.459 -10.685 -2.388 1.00 0.00 H new ATOM 347 N MET A 24 -8.876 -7.533 -5.610 1.00 0.00 N ATOM 348 CA MET A 24 -9.693 -6.348 -5.820 1.00 0.00 C ATOM 349 C MET A 24 -10.339 -5.955 -4.496 1.00 0.00 C ATOM 350 O MET A 24 -11.148 -6.710 -3.946 1.00 0.00 O ATOM 351 CB MET A 24 -10.755 -6.629 -6.887 1.00 0.00 C ATOM 352 CG MET A 24 -11.513 -5.393 -7.344 1.00 0.00 C ATOM 353 SD MET A 24 -12.995 -5.047 -6.368 1.00 0.00 S ATOM 354 CE MET A 24 -14.045 -6.422 -6.835 1.00 0.00 C ATOM 0 H MET A 24 -9.376 -8.410 -5.755 1.00 0.00 H new ATOM 0 HA MET A 24 -9.074 -5.523 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.275 -7.089 -7.751 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.467 -7.355 -6.494 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.848 -4.531 -7.296 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.798 -5.518 -8.389 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.089 -6.157 -6.664 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.897 -6.651 -7.890 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.789 -7.295 -6.235 1.00 0.00 H new ATOM 364 N ALA A 25 -9.961 -4.789 -3.973 1.00 0.00 N ATOM 365 CA ALA A 25 -10.491 -4.323 -2.697 1.00 0.00 C ATOM 366 C ALA A 25 -11.296 -3.040 -2.849 1.00 0.00 C ATOM 367 O ALA A 25 -10.951 -2.165 -3.648 1.00 0.00 O ATOM 368 CB ALA A 25 -9.357 -4.120 -1.704 1.00 0.00 C ATOM 0 H ALA A 25 -9.294 -4.155 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.168 -5.090 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.763 -3.772 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.834 -5.064 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.660 -3.378 -2.094 1.00 0.00 H new ATOM 374 N VAL A 26 -12.367 -2.939 -2.062 1.00 0.00 N ATOM 375 CA VAL A 26 -13.240 -1.763 -2.081 1.00 0.00 C ATOM 376 C VAL A 26 -12.847 -0.796 -0.958 1.00 0.00 C ATOM 377 O VAL A 26 -12.588 -1.222 0.172 1.00 0.00 O ATOM 378 CB VAL A 26 -14.732 -2.166 -1.928 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.648 -0.954 -2.066 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.108 -3.228 -2.952 1.00 0.00 C ATOM 0 H VAL A 26 -12.653 -3.661 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.116 -1.270 -3.045 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.863 -2.580 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.686 -1.268 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.404 -0.224 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.509 -0.503 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.157 -3.497 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.949 -2.837 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.487 -4.112 -2.805 1.00 0.00 H new ATOM 390 N ALA A 27 -12.799 0.503 -1.282 1.00 0.00 N ATOM 391 CA ALA A 27 -12.431 1.533 -0.307 1.00 0.00 C ATOM 392 C ALA A 27 -13.576 1.831 0.655 1.00 0.00 C ATOM 393 O ALA A 27 -14.727 1.997 0.240 1.00 0.00 O ATOM 394 CB ALA A 27 -12.004 2.802 -1.018 1.00 0.00 C ATOM 0 H ALA A 27 -13.011 0.863 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.594 1.150 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.733 3.558 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.144 2.591 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.827 3.170 -1.631 1.00 0.00 H new ATOM 400 N LEU A 28 -13.239 1.892 1.945 1.00 0.00 N ATOM 401 CA LEU A 28 -14.212 2.159 3.000 1.00 0.00 C ATOM 402 C LEU A 28 -14.178 3.618 3.461 1.00 0.00 C ATOM 403 O LEU A 28 -15.116 4.080 4.117 1.00 0.00 O ATOM 404 CB LEU A 28 -13.950 1.233 4.195 1.00 0.00 C ATOM 405 CG LEU A 28 -14.193 -0.263 3.950 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.626 -1.084 5.098 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.679 -0.556 3.766 1.00 0.00 C ATOM 0 H LEU A 28 -12.287 1.758 2.284 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.203 1.967 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.916 1.366 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.582 1.553 5.023 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.680 -0.544 3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.805 -2.143 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.554 -0.906 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.112 -0.792 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.821 -1.623 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -16.222 -0.257 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -16.057 0.003 2.910 1.00 0.00 H new ATOM 419 N GLN A 29 -13.098 4.339 3.129 1.00 0.00 N ATOM 420 CA GLN A 29 -12.961 5.747 3.526 1.00 0.00 C ATOM 421 C GLN A 29 -12.065 6.530 2.555 1.00 0.00 C ATOM 422 O GLN A 29 -11.623 5.993 1.537 1.00 0.00 O ATOM 423 CB GLN A 29 -12.415 5.851 4.959 1.00 0.00 C ATOM 424 CG GLN A 29 -11.035 5.236 5.148 1.00 0.00 C ATOM 425 CD GLN A 29 -10.483 5.476 6.539 1.00 0.00 C ATOM 426 OE1 GLN A 29 -11.019 4.978 7.529 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.411 6.256 6.621 1.00 0.00 N ATOM 0 H GLN A 29 -12.312 3.974 2.591 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.954 6.194 3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.374 6.902 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.114 5.363 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.089 4.163 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.350 5.654 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.999 6.648 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.000 6.463 7.531 1.00 0.00 H new ATOM 436 N ASP A 30 -11.814 7.805 2.886 1.00 0.00 N ATOM 437 CA ASP A 30 -10.982 8.681 2.056 1.00 0.00 C ATOM 438 C ASP A 30 -9.547 8.768 2.577 1.00 0.00 C ATOM 439 O ASP A 30 -9.288 8.559 3.764 1.00 0.00 O ATOM 440 CB ASP A 30 -11.582 10.089 1.987 1.00 0.00 C ATOM 441 CG ASP A 30 -12.887 10.141 1.214 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.861 9.495 1.645 1.00 0.00 O ATOM 443 OD2 ASP A 30 -12.932 10.833 0.175 1.00 0.00 O ATOM 0 H ASP A 30 -12.178 8.252 3.727 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.958 8.243 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.751 10.456 2.999 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.863 10.762 1.520 1.00 0.00 H new ATOM 448 N TYR A 31 -8.627 9.094 1.664 1.00 0.00 N ATOM 449 CA TYR A 31 -7.207 9.238 1.975 1.00 0.00 C ATOM 450 C TYR A 31 -6.566 10.245 1.018 1.00 0.00 C ATOM 451 O TYR A 31 -6.959 10.326 -0.147 1.00 0.00 O ATOM 452 CB TYR A 31 -6.487 7.887 1.848 1.00 0.00 C ATOM 453 CG TYR A 31 -5.134 7.845 2.536 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.031 7.821 3.924 1.00 0.00 C ATOM 455 CD2 TYR A 31 -3.959 7.830 1.792 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.799 7.786 4.547 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.725 7.796 2.410 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.650 7.773 3.787 1.00 0.00 C ATOM 459 OH TYR A 31 -1.421 7.740 4.405 1.00 0.00 O ATOM 0 H TYR A 31 -8.851 9.266 0.684 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.113 9.594 3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.122 7.107 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.354 7.655 0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.929 7.830 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.013 7.845 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.737 7.769 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.822 7.787 1.818 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.498 7.269 5.261 1.00 0.00 H new ATOM 469 N MET A 32 -5.575 10.997 1.506 1.00 0.00 N ATOM 470 CA MET A 32 -4.877 11.983 0.678 1.00 0.00 C ATOM 471 C MET A 32 -3.410 11.596 0.502 1.00 0.00 C ATOM 472 O MET A 32 -2.760 11.158 1.454 1.00 0.00 O ATOM 473 CB MET A 32 -4.979 13.392 1.277 1.00 0.00 C ATOM 474 CG MET A 32 -6.356 14.021 1.163 1.00 0.00 C ATOM 475 SD MET A 32 -7.567 13.326 2.307 1.00 0.00 S ATOM 476 CE MET A 32 -9.020 14.283 1.886 1.00 0.00 C ATOM 0 H MET A 32 -5.239 10.942 2.468 1.00 0.00 H new ATOM 0 HA MET A 32 -5.362 11.993 -0.298 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.699 13.348 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.255 14.038 0.781 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.272 15.093 1.343 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.719 13.897 0.143 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.856 13.968 2.510 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.820 15.341 2.054 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.270 14.123 0.837 1.00 0.00 H new ATOM 486 N ALA A 33 -2.905 11.744 -0.728 1.00 0.00 N ATOM 487 CA ALA A 33 -1.518 11.396 -1.049 1.00 0.00 C ATOM 488 C ALA A 33 -0.554 12.579 -0.855 1.00 0.00 C ATOM 489 O ALA A 33 -0.615 13.551 -1.613 1.00 0.00 O ATOM 490 CB ALA A 33 -1.430 10.897 -2.480 1.00 0.00 C ATOM 0 H ALA A 33 -3.439 12.104 -1.519 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.215 10.611 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.397 10.640 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.059 10.014 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.771 11.678 -3.159 1.00 0.00 H new ATOM 496 N PRO A 34 0.357 12.524 0.160 1.00 0.00 N ATOM 497 CA PRO A 34 1.321 13.601 0.419 1.00 0.00 C ATOM 498 C PRO A 34 2.475 13.622 -0.593 1.00 0.00 C ATOM 499 O PRO A 34 2.682 14.626 -1.279 1.00 0.00 O ATOM 500 CB PRO A 34 1.855 13.293 1.830 1.00 0.00 C ATOM 501 CG PRO A 34 1.021 12.169 2.346 1.00 0.00 C ATOM 502 CD PRO A 34 0.528 11.436 1.138 1.00 0.00 C ATOM 0 HA PRO A 34 0.850 14.580 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.908 13.015 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.776 14.167 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.606 11.512 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.189 12.542 2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.244 10.689 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.408 10.913 1.333 1.00 0.00 H new ATOM 510 N ASP A 35 3.231 12.517 -0.666 1.00 0.00 N ATOM 511 CA ASP A 35 4.374 12.416 -1.579 1.00 0.00 C ATOM 512 C ASP A 35 3.982 11.836 -2.943 1.00 0.00 C ATOM 513 O ASP A 35 2.856 11.364 -3.139 1.00 0.00 O ATOM 514 CB ASP A 35 5.499 11.592 -0.941 1.00 0.00 C ATOM 515 CG ASP A 35 5.056 10.203 -0.531 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.669 9.419 -1.419 1.00 0.00 O ATOM 517 OD2 ASP A 35 5.098 9.901 0.680 1.00 0.00 O ATOM 0 H ASP A 35 3.070 11.682 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 35 4.735 13.429 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.326 11.510 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.877 12.120 -0.066 1.00 0.00 H new ATOM 522 N CYS A 36 4.936 11.894 -3.880 1.00 0.00 N ATOM 523 CA CYS A 36 4.749 11.415 -5.254 1.00 0.00 C ATOM 524 C CYS A 36 4.470 9.911 -5.348 1.00 0.00 C ATOM 525 O CYS A 36 3.893 9.461 -6.342 1.00 0.00 O ATOM 526 CB CYS A 36 5.997 11.732 -6.086 1.00 0.00 C ATOM 527 SG CYS A 36 7.445 10.700 -5.669 1.00 0.00 S ATOM 0 H CYS A 36 5.865 12.277 -3.705 1.00 0.00 H new ATOM 0 HA CYS A 36 3.871 11.933 -5.639 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.761 11.600 -7.142 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.258 12.781 -5.946 1.00 0.00 H new ATOM 532 N ARG A 37 4.899 9.130 -4.350 1.00 0.00 N ATOM 533 CA ARG A 37 4.697 7.682 -4.402 1.00 0.00 C ATOM 534 C ARG A 37 3.499 7.211 -3.577 1.00 0.00 C ATOM 535 O ARG A 37 3.359 6.013 -3.318 1.00 0.00 O ATOM 536 CB ARG A 37 5.980 6.925 -4.022 1.00 0.00 C ATOM 537 CG ARG A 37 6.595 7.313 -2.688 1.00 0.00 C ATOM 538 CD ARG A 37 7.950 6.645 -2.481 1.00 0.00 C ATOM 539 NE ARG A 37 9.079 7.568 -2.682 1.00 0.00 N ATOM 540 CZ ARG A 37 9.495 8.045 -3.865 1.00 0.00 C ATOM 541 NH1 ARG A 37 8.976 7.609 -5.009 1.00 0.00 N ATOM 542 NH2 ARG A 37 10.474 8.938 -3.901 1.00 0.00 N ATOM 0 H ARG A 37 5.378 9.468 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 37 4.459 7.443 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.760 5.858 -4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.721 7.085 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.711 8.396 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.921 7.029 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.997 6.235 -1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.045 5.806 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 37 9.588 7.871 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.246 6.897 -4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.308 7.987 -5.896 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.905 9.257 -3.034 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.796 9.306 -4.796 1.00 0.00 H new ATOM 556 N PHE A 38 2.610 8.141 -3.209 1.00 0.00 N ATOM 557 CA PHE A 38 1.402 7.780 -2.466 1.00 0.00 C ATOM 558 C PHE A 38 0.181 7.942 -3.371 1.00 0.00 C ATOM 559 O PHE A 38 0.273 8.570 -4.428 1.00 0.00 O ATOM 560 CB PHE A 38 1.264 8.601 -1.179 1.00 0.00 C ATOM 561 CG PHE A 38 1.675 7.851 0.072 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.949 7.306 0.206 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.777 7.689 1.115 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.310 6.623 1.351 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.136 7.005 2.261 1.00 0.00 C ATOM 566 CZ PHE A 38 2.403 6.472 2.379 1.00 0.00 C ATOM 0 H PHE A 38 2.704 9.136 -3.411 1.00 0.00 H new ATOM 0 HA PHE A 38 1.477 6.736 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.871 9.502 -1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.228 8.924 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.664 7.419 -0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.217 8.103 1.031 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.303 6.207 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.424 6.888 3.065 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.684 5.938 3.274 1.00 0.00 H new ATOM 576 N LEU A 39 -0.949 7.346 -2.979 1.00 0.00 N ATOM 577 CA LEU A 39 -2.165 7.402 -3.799 1.00 0.00 C ATOM 578 C LEU A 39 -3.369 7.967 -3.037 1.00 0.00 C ATOM 579 O LEU A 39 -3.620 7.602 -1.886 1.00 0.00 O ATOM 580 CB LEU A 39 -2.472 5.989 -4.325 1.00 0.00 C ATOM 581 CG LEU A 39 -3.689 5.835 -5.252 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.552 6.687 -6.508 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.859 4.374 -5.634 1.00 0.00 C ATOM 0 H LEU A 39 -1.048 6.824 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.983 8.085 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.593 5.628 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.615 5.332 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.570 6.181 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.431 6.551 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.465 7.737 -6.228 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.661 6.383 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.722 4.268 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.965 4.027 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.012 3.778 -4.734 1.00 0.00 H new ATOM 595 N THR A 40 -4.119 8.848 -3.716 1.00 0.00 N ATOM 596 CA THR A 40 -5.319 9.465 -3.149 1.00 0.00 C ATOM 597 C THR A 40 -6.534 8.595 -3.465 1.00 0.00 C ATOM 598 O THR A 40 -6.742 8.203 -4.617 1.00 0.00 O ATOM 599 CB THR A 40 -5.508 10.886 -3.709 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.357 11.673 -3.474 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.687 11.632 -3.113 1.00 0.00 C ATOM 0 H THR A 40 -3.909 9.149 -4.668 1.00 0.00 H new ATOM 0 HA THR A 40 -5.208 9.542 -2.067 1.00 0.00 H new ATOM 0 HB THR A 40 -5.692 10.742 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.495 12.572 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.753 12.624 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.606 11.082 -3.316 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.551 11.727 -2.036 1.00 0.00 H new ATOM 609 N ILE A 41 -7.312 8.274 -2.431 1.00 0.00 N ATOM 610 CA ILE A 41 -8.494 7.421 -2.581 1.00 0.00 C ATOM 611 C ILE A 41 -9.744 8.066 -1.966 1.00 0.00 C ATOM 612 O ILE A 41 -9.654 8.793 -0.983 1.00 0.00 O ATOM 613 CB ILE A 41 -8.217 6.023 -1.938 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.270 5.221 -2.839 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.501 5.232 -1.694 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.633 4.021 -2.165 1.00 0.00 C ATOM 0 H ILE A 41 -7.145 8.593 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.691 7.295 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.754 6.193 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.823 4.880 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.481 5.883 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.256 4.269 -1.247 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.150 5.791 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.015 5.071 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.979 3.511 -2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.050 4.353 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.412 3.335 -1.831 1.00 0.00 H new ATOM 628 N HIS A 42 -10.907 7.764 -2.550 1.00 0.00 N ATOM 629 CA HIS A 42 -12.185 8.273 -2.061 1.00 0.00 C ATOM 630 C HIS A 42 -13.047 7.104 -1.588 1.00 0.00 C ATOM 631 O HIS A 42 -12.907 5.985 -2.092 1.00 0.00 O ATOM 632 CB HIS A 42 -12.916 9.066 -3.149 1.00 0.00 C ATOM 633 CG HIS A 42 -12.177 10.286 -3.611 1.00 0.00 C ATOM 634 ND1 HIS A 42 -11.849 11.333 -2.774 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.704 10.624 -4.835 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.209 12.260 -3.463 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.108 11.855 -4.716 1.00 0.00 N ATOM 0 H HIS A 42 -10.986 7.163 -3.370 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.997 8.949 -1.227 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.091 8.414 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.893 9.366 -2.771 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.067 11.383 -1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.781 10.035 -5.737 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.832 13.192 -3.069 1.00 0.00 H new ATOM 646 N ARG A 43 -13.923 7.365 -0.614 1.00 0.00 N ATOM 647 CA ARG A 43 -14.801 6.330 -0.056 1.00 0.00 C ATOM 648 C ARG A 43 -15.727 5.736 -1.124 1.00 0.00 C ATOM 649 O ARG A 43 -16.597 6.428 -1.662 1.00 0.00 O ATOM 650 CB ARG A 43 -15.626 6.915 1.100 1.00 0.00 C ATOM 651 CG ARG A 43 -16.530 5.914 1.797 1.00 0.00 C ATOM 652 CD ARG A 43 -17.312 6.564 2.924 1.00 0.00 C ATOM 653 NE ARG A 43 -18.113 5.591 3.661 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.917 5.894 4.685 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.044 7.149 5.107 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.598 4.931 5.291 1.00 0.00 N ATOM 0 H ARG A 43 -14.044 8.287 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.173 5.522 0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.945 7.344 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.237 7.732 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.222 5.482 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.930 5.095 2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.621 7.058 3.607 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.964 7.336 2.516 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.055 4.614 3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.524 7.897 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.662 7.364 5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.507 3.965 4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.213 5.156 6.073 1.00 0.00 H new ATOM 670 N GLY A 44 -15.537 4.441 -1.407 1.00 0.00 N ATOM 671 CA GLY A 44 -16.366 3.756 -2.385 1.00 0.00 C ATOM 672 C GLY A 44 -15.692 3.535 -3.733 1.00 0.00 C ATOM 673 O GLY A 44 -16.347 3.078 -4.673 1.00 0.00 O ATOM 0 H GLY A 44 -14.821 3.858 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.664 2.790 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.278 4.332 -2.538 1.00 0.00 H new ATOM 677 N GLN A 45 -14.394 3.854 -3.843 1.00 0.00 N ATOM 678 CA GLN A 45 -13.678 3.672 -5.109 1.00 0.00 C ATOM 679 C GLN A 45 -13.091 2.271 -5.243 1.00 0.00 C ATOM 680 O GLN A 45 -12.702 1.645 -4.252 1.00 0.00 O ATOM 681 CB GLN A 45 -12.560 4.708 -5.284 1.00 0.00 C ATOM 682 CG GLN A 45 -13.068 6.126 -5.487 1.00 0.00 C ATOM 683 CD GLN A 45 -12.012 7.049 -6.067 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.943 7.237 -5.485 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.307 7.632 -7.223 1.00 0.00 N ATOM 0 H GLN A 45 -13.829 4.233 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.420 3.814 -5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.915 4.685 -4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.946 4.426 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.932 6.106 -6.151 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.409 6.526 -4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.204 7.449 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.636 8.263 -7.662 1.00 0.00 H new ATOM 694 N VAL A 46 -13.016 1.807 -6.493 1.00 0.00 N ATOM 695 CA VAL A 46 -12.457 0.498 -6.820 1.00 0.00 C ATOM 696 C VAL A 46 -10.934 0.602 -6.843 1.00 0.00 C ATOM 697 O VAL A 46 -10.379 1.348 -7.648 1.00 0.00 O ATOM 698 CB VAL A 46 -12.967 0.003 -8.202 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.369 -1.348 -8.574 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.487 -0.068 -8.222 1.00 0.00 C ATOM 0 H VAL A 46 -13.342 2.331 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.775 -0.220 -6.064 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.639 0.728 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.750 -1.659 -9.547 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.283 -1.265 -8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.645 -2.088 -7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.822 -0.417 -9.199 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.829 -0.760 -7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.900 0.922 -8.029 1.00 0.00 H new ATOM 710 N VAL A 47 -10.263 -0.124 -5.947 1.00 0.00 N ATOM 711 CA VAL A 47 -8.802 -0.073 -5.877 1.00 0.00 C ATOM 712 C VAL A 47 -8.182 -1.460 -6.055 1.00 0.00 C ATOM 713 O VAL A 47 -8.392 -2.357 -5.233 1.00 0.00 O ATOM 714 CB VAL A 47 -8.309 0.541 -4.538 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.817 0.840 -4.596 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.085 1.806 -4.189 1.00 0.00 C ATOM 0 H VAL A 47 -10.701 -0.747 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.478 0.569 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.488 -0.195 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.495 1.269 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.268 -0.083 -4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.619 1.548 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.716 2.211 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.951 2.545 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.144 1.568 -4.091 1.00 0.00 H new ATOM 726 N TYR A 48 -7.401 -1.613 -7.129 1.00 0.00 N ATOM 727 CA TYR A 48 -6.720 -2.873 -7.420 1.00 0.00 C ATOM 728 C TYR A 48 -5.364 -2.914 -6.718 1.00 0.00 C ATOM 729 O TYR A 48 -4.520 -2.038 -6.937 1.00 0.00 O ATOM 730 CB TYR A 48 -6.510 -3.059 -8.937 1.00 0.00 C ATOM 731 CG TYR A 48 -7.708 -3.581 -9.729 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.019 -3.209 -9.438 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.505 -4.447 -10.798 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.080 -3.687 -10.184 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.563 -4.927 -11.545 1.00 0.00 C ATOM 736 CZ TYR A 48 -9.847 -4.545 -11.234 1.00 0.00 C ATOM 737 OH TYR A 48 -10.902 -5.020 -11.978 1.00 0.00 O ATOM 0 H TYR A 48 -7.226 -0.876 -7.812 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.351 -3.682 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.212 -2.100 -9.361 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.677 -3.746 -9.085 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.209 -2.536 -8.615 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.499 -4.750 -11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.089 -3.388 -9.943 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.383 -5.600 -12.370 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.565 -5.613 -12.682 1.00 0.00 H new ATOM 747 N VAL A 49 -5.157 -3.935 -5.885 1.00 0.00 N ATOM 748 CA VAL A 49 -3.898 -4.096 -5.158 1.00 0.00 C ATOM 749 C VAL A 49 -2.899 -4.862 -6.026 1.00 0.00 C ATOM 750 O VAL A 49 -3.245 -5.890 -6.604 1.00 0.00 O ATOM 751 CB VAL A 49 -4.103 -4.842 -3.814 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.815 -4.875 -2.999 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.224 -4.200 -3.008 1.00 0.00 C ATOM 0 H VAL A 49 -5.846 -4.663 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.511 -3.102 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.384 -5.870 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.990 -5.404 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.039 -5.388 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.494 -3.856 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.351 -4.739 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.972 -3.160 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.152 -4.241 -3.579 1.00 0.00 H new ATOM 763 N PHE A 50 -1.672 -4.344 -6.126 1.00 0.00 N ATOM 764 CA PHE A 50 -0.633 -4.977 -6.942 1.00 0.00 C ATOM 765 C PHE A 50 0.512 -5.537 -6.101 1.00 0.00 C ATOM 766 O PHE A 50 1.116 -6.546 -6.476 1.00 0.00 O ATOM 767 CB PHE A 50 -0.068 -3.985 -7.972 1.00 0.00 C ATOM 768 CG PHE A 50 -0.951 -3.755 -9.176 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.118 -3.011 -9.082 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.604 -4.292 -10.407 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.918 -2.807 -10.191 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.402 -4.092 -11.518 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.559 -3.348 -11.410 1.00 0.00 C ATOM 0 H PHE A 50 -1.374 -3.490 -5.653 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.112 -5.811 -7.456 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.106 -3.029 -7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.901 -4.349 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.405 -2.586 -8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.301 -4.874 -10.499 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.823 -2.225 -10.104 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.120 -4.518 -12.470 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.183 -3.189 -12.277 1.00 0.00 H new ATOM 783 N SER A 51 0.830 -4.879 -4.979 1.00 0.00 N ATOM 784 CA SER A 51 1.931 -5.330 -4.123 1.00 0.00 C ATOM 785 C SER A 51 1.687 -5.060 -2.642 1.00 0.00 C ATOM 786 O SER A 51 1.064 -4.063 -2.271 1.00 0.00 O ATOM 787 CB SER A 51 3.236 -4.645 -4.537 1.00 0.00 C ATOM 788 OG SER A 51 3.111 -3.235 -4.480 1.00 0.00 O ATOM 0 H SER A 51 0.347 -4.044 -4.647 1.00 0.00 H new ATOM 0 HA SER A 51 1.999 -6.409 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.044 -4.969 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.505 -4.949 -5.549 1.00 0.00 H new ATOM 0 HG SER A 51 3.958 -2.820 -4.747 1.00 0.00 H new ATOM 794 N LYS A 52 2.232 -5.952 -1.806 1.00 0.00 N ATOM 795 CA LYS A 52 2.142 -5.825 -0.351 1.00 0.00 C ATOM 796 C LYS A 52 3.560 -5.751 0.210 1.00 0.00 C ATOM 797 O LYS A 52 4.331 -6.707 0.087 1.00 0.00 O ATOM 798 CB LYS A 52 1.379 -7.004 0.279 1.00 0.00 C ATOM 799 CG LYS A 52 0.113 -7.402 -0.468 1.00 0.00 C ATOM 800 CD LYS A 52 -0.658 -8.476 0.264 1.00 0.00 C ATOM 801 CE LYS A 52 -1.941 -8.817 -0.468 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.789 -7.615 -0.715 1.00 0.00 N ATOM 0 H LYS A 52 2.744 -6.777 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 52 1.586 -4.920 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.044 -7.866 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.116 -6.745 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.521 -6.526 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.376 -7.758 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.041 -9.370 0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.890 -8.138 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.699 -9.290 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.507 -9.544 0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.785 -7.849 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.491 -6.844 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.683 -7.313 -1.705 1.00 0.00 H new ATOM 816 N LEU A 53 3.914 -4.599 0.783 1.00 0.00 N ATOM 817 CA LEU A 53 5.261 -4.373 1.320 1.00 0.00 C ATOM 818 C LEU A 53 5.581 -5.278 2.510 1.00 0.00 C ATOM 819 O LEU A 53 4.691 -5.664 3.270 1.00 0.00 O ATOM 820 CB LEU A 53 5.425 -2.904 1.726 1.00 0.00 C ATOM 821 CG LEU A 53 5.067 -1.871 0.643 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.079 -0.473 1.237 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.010 -1.961 -0.554 1.00 0.00 C ATOM 0 H LEU A 53 3.284 -3.803 0.888 1.00 0.00 H new ATOM 0 HA LEU A 53 5.966 -4.622 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.804 -2.716 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.460 -2.743 2.029 1.00 0.00 H new ATOM 0 HG LEU A 53 4.064 -2.093 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.825 0.253 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.349 -0.414 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.072 -0.253 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.726 -1.217 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.033 -1.775 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.946 -2.956 -0.994 1.00 0.00 H new ATOM 835 N LYS A 54 6.873 -5.603 2.657 1.00 0.00 N ATOM 836 CA LYS A 54 7.349 -6.457 3.747 1.00 0.00 C ATOM 837 C LYS A 54 8.329 -5.704 4.645 1.00 0.00 C ATOM 838 O LYS A 54 8.284 -5.839 5.870 1.00 0.00 O ATOM 839 CB LYS A 54 8.035 -7.710 3.194 1.00 0.00 C ATOM 840 CG LYS A 54 7.120 -8.622 2.399 1.00 0.00 C ATOM 841 CD LYS A 54 7.878 -9.820 1.841 1.00 0.00 C ATOM 842 CE LYS A 54 8.167 -10.867 2.909 1.00 0.00 C ATOM 843 NZ LYS A 54 8.906 -12.035 2.357 1.00 0.00 N ATOM 0 H LYS A 54 7.610 -5.283 2.028 1.00 0.00 H new ATOM 0 HA LYS A 54 6.480 -6.751 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.866 -7.405 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.459 -8.274 4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.306 -8.969 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.668 -8.062 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.297 -10.273 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.817 -9.482 1.403 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.750 -10.415 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.229 -11.206 3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.083 -12.724 3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.339 -12.482 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.813 -11.716 1.961 1.00 0.00 H new ATOM 857 N GLY A 55 9.218 -4.919 4.019 1.00 0.00 N ATOM 858 CA GLY A 55 10.213 -4.150 4.760 1.00 0.00 C ATOM 859 C GLY A 55 9.591 -3.053 5.601 1.00 0.00 C ATOM 860 O GLY A 55 9.233 -1.999 5.074 1.00 0.00 O ATOM 0 H GLY A 55 9.264 -4.804 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.779 -4.821 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.922 -3.709 4.059 1.00 0.00 H new ATOM 864 N ARG A 56 9.463 -3.329 6.913 1.00 0.00 N ATOM 865 CA ARG A 56 8.872 -2.416 7.920 1.00 0.00 C ATOM 866 C ARG A 56 7.576 -1.732 7.439 1.00 0.00 C ATOM 867 O ARG A 56 7.202 -0.662 7.930 1.00 0.00 O ATOM 868 CB ARG A 56 9.909 -1.390 8.429 1.00 0.00 C ATOM 869 CG ARG A 56 10.356 -0.346 7.417 1.00 0.00 C ATOM 870 CD ARG A 56 11.530 0.465 7.944 1.00 0.00 C ATOM 871 NE ARG A 56 11.864 1.604 7.083 1.00 0.00 N ATOM 872 CZ ARG A 56 11.129 2.720 6.974 1.00 0.00 C ATOM 873 NH1 ARG A 56 10.016 2.883 7.687 1.00 0.00 N ATOM 874 NH2 ARG A 56 11.518 3.684 6.152 1.00 0.00 N ATOM 0 H ARG A 56 9.774 -4.213 7.315 1.00 0.00 H new ATOM 0 HA ARG A 56 8.580 -3.042 8.763 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.489 -0.875 9.293 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.788 -1.932 8.777 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.639 -0.837 6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.525 0.320 7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.295 0.828 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.402 -0.183 8.036 1.00 0.00 H new ATOM 0 HE ARG A 56 12.717 1.543 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.710 2.152 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.470 3.739 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.373 3.575 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.963 4.535 6.065 1.00 0.00 H new ATOM 888 N GLY A 57 6.890 -2.380 6.493 1.00 0.00 N ATOM 889 CA GLY A 57 5.642 -1.860 5.965 1.00 0.00 C ATOM 890 C GLY A 57 4.465 -2.708 6.394 1.00 0.00 C ATOM 891 O GLY A 57 3.560 -2.209 7.056 1.00 0.00 O ATOM 0 H GLY A 57 7.185 -3.266 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.499 -0.836 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.691 -1.827 4.877 1.00 0.00 H new ATOM 895 N ARG A 58 4.524 -4.003 6.024 1.00 0.00 N ATOM 896 CA ARG A 58 3.514 -5.023 6.347 1.00 0.00 C ATOM 897 C ARG A 58 2.085 -4.609 5.969 1.00 0.00 C ATOM 898 O ARG A 58 1.527 -5.104 4.987 1.00 0.00 O ATOM 899 CB ARG A 58 3.601 -5.393 7.837 1.00 0.00 C ATOM 900 CG ARG A 58 2.842 -6.658 8.218 1.00 0.00 C ATOM 901 CD ARG A 58 3.477 -7.915 7.631 1.00 0.00 C ATOM 902 NE ARG A 58 4.825 -8.149 8.156 1.00 0.00 N ATOM 903 CZ ARG A 58 5.602 -9.180 7.808 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.180 -10.088 6.932 1.00 0.00 N ATOM 905 NH2 ARG A 58 6.809 -9.302 8.342 1.00 0.00 N ATOM 0 H ARG A 58 5.300 -4.376 5.476 1.00 0.00 H new ATOM 0 HA ARG A 58 3.742 -5.898 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.650 -5.518 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.217 -4.562 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.807 -6.745 9.304 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.812 -6.579 7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.847 -8.776 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.522 -7.825 6.546 1.00 0.00 H new ATOM 0 HE ARG A 58 5.195 -7.481 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.252 -10.003 6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.784 -10.869 6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.141 -8.611 9.015 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.406 -10.087 8.080 1.00 0.00 H new ATOM 919 N LEU A 59 1.507 -3.710 6.761 1.00 0.00 N ATOM 920 CA LEU A 59 0.149 -3.219 6.543 1.00 0.00 C ATOM 921 C LEU A 59 0.090 -2.218 5.390 1.00 0.00 C ATOM 922 O LEU A 59 -0.997 -1.849 4.945 1.00 0.00 O ATOM 923 CB LEU A 59 -0.394 -2.570 7.824 1.00 0.00 C ATOM 924 CG LEU A 59 -0.506 -3.498 9.045 1.00 0.00 C ATOM 925 CD1 LEU A 59 -0.806 -2.688 10.297 1.00 0.00 C ATOM 926 CD2 LEU A 59 -1.584 -4.556 8.831 1.00 0.00 C ATOM 0 H LEU A 59 1.968 -3.301 7.574 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.472 -4.075 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.251 -1.731 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.381 -2.159 7.611 1.00 0.00 H new ATOM 0 HG LEU A 59 0.449 -4.007 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.883 -3.357 11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.003 -1.971 10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.748 -2.154 10.168 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.642 -5.199 9.709 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.546 -4.068 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.335 -5.158 7.957 1.00 0.00 H new ATOM 938 N PHE A 60 1.255 -1.785 4.906 1.00 0.00 N ATOM 939 CA PHE A 60 1.306 -0.829 3.801 1.00 0.00 C ATOM 940 C PHE A 60 1.310 -1.554 2.457 1.00 0.00 C ATOM 941 O PHE A 60 2.212 -2.343 2.159 1.00 0.00 O ATOM 942 CB PHE A 60 2.533 0.088 3.921 1.00 0.00 C ATOM 943 CG PHE A 60 2.408 1.162 4.978 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.475 0.853 6.331 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.235 2.487 4.610 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.370 1.843 7.289 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.129 3.481 5.564 1.00 0.00 C ATOM 948 CZ PHE A 60 2.196 3.158 6.905 1.00 0.00 C ATOM 0 H PHE A 60 2.167 -2.078 5.258 1.00 0.00 H new ATOM 0 HA PHE A 60 0.412 -0.208 3.855 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.408 -0.523 4.143 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.712 0.563 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.611 -0.174 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.182 2.746 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.424 1.589 8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.994 4.509 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.112 3.933 7.653 1.00 0.00 H new ATOM 958 N TRP A 61 0.277 -1.282 1.657 1.00 0.00 N ATOM 959 CA TRP A 61 0.119 -1.895 0.338 1.00 0.00 C ATOM 960 C TRP A 61 0.329 -0.855 -0.762 1.00 0.00 C ATOM 961 O TRP A 61 0.674 0.291 -0.471 1.00 0.00 O ATOM 962 CB TRP A 61 -1.281 -2.530 0.216 1.00 0.00 C ATOM 963 CG TRP A 61 -1.516 -3.742 1.095 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.584 -4.471 1.788 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.783 -4.356 1.382 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.188 -5.498 2.464 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.534 -5.447 2.239 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.102 -4.093 0.997 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.551 -6.269 2.715 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.110 -4.910 1.473 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.829 -5.986 2.324 1.00 0.00 C ATOM 0 H TRP A 61 -0.470 -0.633 1.904 1.00 0.00 H new ATOM 0 HA TRP A 61 0.871 -2.676 0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.028 -1.774 0.459 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.444 -2.817 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.476 -4.265 1.799 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.710 -6.189 3.042 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.328 -3.267 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.338 -7.101 3.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.132 -4.715 1.184 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.640 -6.605 2.679 1.00 0.00 H new ATOM 982 N GLY A 62 0.124 -1.259 -2.020 1.00 0.00 N ATOM 983 CA GLY A 62 0.299 -0.343 -3.138 1.00 0.00 C ATOM 984 C GLY A 62 -0.369 -0.834 -4.407 1.00 0.00 C ATOM 985 O GLY A 62 -0.357 -2.030 -4.691 1.00 0.00 O ATOM 0 H GLY A 62 -0.160 -2.203 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.109 0.632 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.364 -0.202 -3.324 1.00 0.00 H new ATOM 989 N GLY A 63 -0.949 0.098 -5.171 1.00 0.00 N ATOM 990 CA GLY A 63 -1.619 -0.257 -6.412 1.00 0.00 C ATOM 991 C GLY A 63 -2.155 0.953 -7.158 1.00 0.00 C ATOM 992 O GLY A 63 -1.561 2.037 -7.109 1.00 0.00 O ATOM 0 H GLY A 63 -0.965 1.093 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.922 -0.795 -7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.442 -0.938 -6.194 1.00 0.00 H new ATOM 996 N SER A 64 -3.284 0.758 -7.850 1.00 0.00 N ATOM 997 CA SER A 64 -3.921 1.828 -8.623 1.00 0.00 C ATOM 998 C SER A 64 -5.434 1.831 -8.400 1.00 0.00 C ATOM 999 O SER A 64 -5.979 0.900 -7.808 1.00 0.00 O ATOM 1000 CB SER A 64 -3.610 1.661 -10.113 1.00 0.00 C ATOM 1001 OG SER A 64 -4.092 0.421 -10.601 1.00 0.00 O ATOM 0 H SER A 64 -3.776 -0.135 -7.890 1.00 0.00 H new ATOM 0 HA SER A 64 -3.520 2.782 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.063 2.477 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.533 1.724 -10.272 1.00 0.00 H new ATOM 0 HG SER A 64 -3.491 -0.299 -10.316 1.00 0.00 H new ATOM 1007 N VAL A 65 -6.103 2.887 -8.876 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.555 3.019 -8.725 1.00 0.00 C ATOM 1009 C VAL A 65 -8.263 3.013 -10.080 1.00 0.00 C ATOM 1010 O VAL A 65 -7.940 3.811 -10.961 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.929 4.323 -7.963 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -9.441 4.541 -7.934 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.373 4.295 -6.550 1.00 0.00 C ATOM 0 H VAL A 65 -5.661 3.663 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.888 2.157 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.481 5.158 -8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.666 5.461 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.817 4.618 -8.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.920 3.700 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.645 5.215 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.787 3.442 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.287 4.208 -6.588 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.249 2.123 -10.218 1.00 0.00 N ATOM 1024 CA GLN A 66 -10.039 2.023 -11.443 1.00 0.00 C ATOM 1025 C GLN A 66 -11.102 3.133 -11.478 1.00 0.00 C ATOM 1026 O GLN A 66 -10.809 4.250 -11.907 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.681 0.633 -11.544 1.00 0.00 C ATOM 1028 CG GLN A 66 -9.679 -0.479 -11.797 1.00 0.00 C ATOM 1029 CD GLN A 66 -9.219 -0.592 -13.248 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -9.938 0.037 -14.177 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -8.233 -1.272 -13.535 1.00 0.00 N flip ATOM 0 H GLN A 66 -9.518 1.459 -9.492 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.385 2.156 -12.305 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.220 0.422 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.417 0.639 -12.348 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.807 -0.318 -11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.122 -1.427 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.705 -1.740 -12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.945 -1.367 -14.509 1.00 0.00 H new ATOM 1040 N GLY A 67 -12.323 2.828 -11.009 1.00 0.00 N ATOM 1041 CA GLY A 67 -13.397 3.809 -10.982 1.00 0.00 C ATOM 1042 C GLY A 67 -14.024 4.042 -12.341 1.00 0.00 C ATOM 1043 O GLY A 67 -15.108 3.530 -12.630 1.00 0.00 O ATOM 0 H GLY A 67 -12.581 1.910 -10.647 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.167 3.477 -10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.009 4.754 -10.601 1.00 0.00 H new ATOM 1047 N ASP A 68 -13.335 4.825 -13.166 1.00 0.00 N ATOM 1048 CA ASP A 68 -13.807 5.156 -14.511 1.00 0.00 C ATOM 1049 C ASP A 68 -12.838 4.654 -15.573 1.00 0.00 C ATOM 1050 O ASP A 68 -13.256 4.239 -16.657 1.00 0.00 O ATOM 1051 CB ASP A 68 -13.991 6.672 -14.646 1.00 0.00 C ATOM 1052 CG ASP A 68 -15.154 7.219 -13.829 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -15.882 6.420 -13.198 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -15.343 8.453 -13.828 1.00 0.00 O ATOM 0 H ASP A 68 -12.438 5.247 -12.925 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.766 4.661 -14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.073 7.170 -14.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.147 6.919 -15.696 1.00 0.00 H new ATOM 1059 N TYR A 69 -11.547 4.702 -15.232 1.00 0.00 N ATOM 1060 CA TYR A 69 -10.447 4.263 -16.110 1.00 0.00 C ATOM 1061 C TYR A 69 -10.436 5.033 -17.439 1.00 0.00 C ATOM 1062 O TYR A 69 -11.103 4.645 -18.405 1.00 0.00 O ATOM 1063 CB TYR A 69 -10.521 2.740 -16.356 1.00 0.00 C ATOM 1064 CG TYR A 69 -9.342 2.158 -17.125 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -8.043 2.238 -16.629 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -9.537 1.520 -18.344 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -6.978 1.703 -17.329 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.476 0.982 -19.048 1.00 0.00 C ATOM 1069 CZ TYR A 69 -7.200 1.077 -18.536 1.00 0.00 C ATOM 1070 OH TYR A 69 -6.141 0.543 -19.236 1.00 0.00 O ATOM 0 H TYR A 69 -11.227 5.050 -14.328 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.510 4.486 -15.599 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.594 2.234 -15.393 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -11.438 2.519 -16.903 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.865 2.726 -15.682 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.535 1.443 -18.749 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.976 1.775 -16.932 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.646 0.490 -19.994 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.469 0.137 -20.065 1.00 0.00 H new ATOM 1080 N TYR A 70 -9.662 6.121 -17.480 1.00 0.00 N ATOM 1081 CA TYR A 70 -9.544 6.941 -18.684 1.00 0.00 C ATOM 1082 C TYR A 70 -8.079 7.235 -19.037 1.00 0.00 C ATOM 1083 O TYR A 70 -7.799 7.935 -20.013 1.00 0.00 O ATOM 1084 CB TYR A 70 -10.366 8.241 -18.555 1.00 0.00 C ATOM 1085 CG TYR A 70 -10.297 8.944 -17.208 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -9.143 9.591 -16.776 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -11.406 8.964 -16.370 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -9.101 10.234 -15.552 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -11.370 9.603 -15.146 1.00 0.00 C ATOM 1090 CZ TYR A 70 -10.216 10.237 -14.743 1.00 0.00 C ATOM 1091 OH TYR A 70 -10.176 10.876 -13.525 1.00 0.00 O ATOM 0 H TYR A 70 -9.108 6.453 -16.691 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.960 6.364 -19.510 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.030 8.937 -19.323 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.410 8.010 -18.769 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.266 9.591 -17.407 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.314 8.470 -16.682 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.198 10.732 -15.232 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.242 9.605 -14.509 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.044 10.785 -13.079 1.00 0.00 H new ATOM 1101 N GLY A 71 -7.154 6.668 -18.252 1.00 0.00 N ATOM 1102 CA GLY A 71 -5.730 6.850 -18.513 1.00 0.00 C ATOM 1103 C GLY A 71 -5.105 8.010 -17.758 1.00 0.00 C ATOM 1104 O GLY A 71 -4.522 8.905 -18.376 1.00 0.00 O ATOM 0 H GLY A 71 -7.367 6.087 -17.441 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.203 5.933 -18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.584 7.005 -19.582 1.00 0.00 H new ATOM 1108 N ASP A 72 -5.210 7.983 -16.424 1.00 0.00 N ATOM 1109 CA ASP A 72 -4.636 9.032 -15.571 1.00 0.00 C ATOM 1110 C ASP A 72 -4.587 8.570 -14.116 1.00 0.00 C ATOM 1111 O ASP A 72 -3.611 8.829 -13.407 1.00 0.00 O ATOM 1112 CB ASP A 72 -5.449 10.333 -15.685 1.00 0.00 C ATOM 1113 CG ASP A 72 -4.766 11.528 -15.036 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -4.630 11.543 -13.795 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -4.367 12.452 -15.776 1.00 0.00 O ATOM 0 H ASP A 72 -5.689 7.244 -15.910 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.619 9.228 -15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.626 10.552 -16.738 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.425 10.185 -15.222 1.00 0.00 H new ATOM 1120 N LEU A 73 -5.649 7.890 -13.683 1.00 0.00 N ATOM 1121 CA LEU A 73 -5.744 7.391 -12.307 1.00 0.00 C ATOM 1122 C LEU A 73 -5.128 5.997 -12.154 1.00 0.00 C ATOM 1123 O LEU A 73 -4.808 5.580 -11.037 1.00 0.00 O ATOM 1124 CB LEU A 73 -7.206 7.400 -11.805 1.00 0.00 C ATOM 1125 CG LEU A 73 -8.315 7.199 -12.861 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -8.266 5.804 -13.473 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -9.680 7.447 -12.236 1.00 0.00 C ATOM 0 H LEU A 73 -6.458 7.671 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.164 8.074 -11.686 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.310 6.618 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.385 8.351 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.145 7.918 -13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.062 5.702 -14.211 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.301 5.653 -13.957 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.400 5.058 -12.690 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.456 7.303 -12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.836 6.748 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.727 8.468 -11.857 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.954 5.287 -13.273 1.00 0.00 N ATOM 1140 CA ALA A 74 -4.364 3.947 -13.245 1.00 0.00 C ATOM 1141 C ALA A 74 -2.843 4.022 -13.274 1.00 0.00 C ATOM 1142 O ALA A 74 -2.159 3.076 -12.878 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.871 3.106 -14.404 1.00 0.00 C ATOM 0 H ALA A 74 -5.212 5.616 -14.203 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.669 3.470 -12.314 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.418 2.116 -14.360 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.955 3.012 -14.339 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.604 3.586 -15.346 1.00 0.00 H new ATOM 1149 N ALA A 75 -2.322 5.163 -13.738 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.881 5.384 -13.812 1.00 0.00 C ATOM 1151 C ALA A 75 -0.321 5.716 -12.430 1.00 0.00 C ATOM 1152 O ALA A 75 -1.066 5.703 -11.448 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.573 6.498 -14.804 1.00 0.00 C ATOM 0 H ALA A 75 -2.883 5.948 -14.068 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.401 4.470 -14.161 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.505 6.655 -14.852 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.943 6.219 -15.791 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.060 7.418 -14.481 1.00 0.00 H new ATOM 1159 N ARG A 76 0.995 6.013 -12.377 1.00 0.00 N ATOM 1160 CA ARG A 76 1.721 6.355 -11.132 1.00 0.00 C ATOM 1161 C ARG A 76 1.243 5.538 -9.919 1.00 0.00 C ATOM 1162 O ARG A 76 0.420 5.996 -9.118 1.00 0.00 O ATOM 1163 CB ARG A 76 1.679 7.878 -10.836 1.00 0.00 C ATOM 1164 CG ARG A 76 0.288 8.509 -10.811 1.00 0.00 C ATOM 1165 CD ARG A 76 0.315 9.917 -10.239 1.00 0.00 C ATOM 1166 NE ARG A 76 1.134 10.827 -11.043 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.332 12.117 -10.754 1.00 0.00 C ATOM 1168 NH1 ARG A 76 0.779 12.669 -9.678 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.092 12.859 -11.548 1.00 0.00 N ATOM 0 H ARG A 76 1.591 6.023 -13.205 1.00 0.00 H new ATOM 0 HA ARG A 76 2.761 6.079 -11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.156 8.056 -9.872 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.278 8.392 -11.588 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.117 8.536 -11.823 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.382 7.888 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.703 10.303 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.703 9.886 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 76 1.583 10.452 -11.878 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.194 12.107 -9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.940 13.655 -9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.522 12.445 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.246 13.844 -11.332 1.00 0.00 H new ATOM 1183 N LEU A 77 1.775 4.316 -9.797 1.00 0.00 N ATOM 1184 CA LEU A 77 1.422 3.418 -8.695 1.00 0.00 C ATOM 1185 C LEU A 77 1.749 4.058 -7.350 1.00 0.00 C ATOM 1186 O LEU A 77 2.887 4.467 -7.107 1.00 0.00 O ATOM 1187 CB LEU A 77 2.155 2.077 -8.843 1.00 0.00 C ATOM 1188 CG LEU A 77 1.727 1.226 -10.047 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.702 0.078 -10.259 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.315 0.685 -9.853 1.00 0.00 C ATOM 0 H LEU A 77 2.454 3.927 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 77 0.348 3.235 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.225 2.273 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.001 1.495 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 77 1.734 1.862 -10.932 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.384 -0.516 -11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.699 0.477 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.722 -0.551 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.033 0.085 -10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.282 0.066 -8.956 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.382 1.516 -9.745 1.00 0.00 H new ATOM 1202 N GLY A 78 0.733 4.153 -6.492 1.00 0.00 N ATOM 1203 CA GLY A 78 0.915 4.762 -5.185 1.00 0.00 C ATOM 1204 C GLY A 78 0.660 3.796 -4.052 1.00 0.00 C ATOM 1205 O GLY A 78 0.129 2.709 -4.270 1.00 0.00 O ATOM 0 H GLY A 78 -0.212 3.819 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.931 5.148 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.242 5.614 -5.089 1.00 0.00 H new ATOM 1209 N TYR A 79 1.048 4.193 -2.843 1.00 0.00 N ATOM 1210 CA TYR A 79 0.871 3.354 -1.662 1.00 0.00 C ATOM 1211 C TYR A 79 -0.284 3.858 -0.802 1.00 0.00 C ATOM 1212 O TYR A 79 -0.590 5.055 -0.791 1.00 0.00 O ATOM 1213 CB TYR A 79 2.173 3.299 -0.844 1.00 0.00 C ATOM 1214 CG TYR A 79 3.403 2.859 -1.637 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.344 1.817 -2.567 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.626 3.493 -1.452 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.459 1.431 -3.282 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.747 3.110 -2.164 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.658 2.080 -3.079 1.00 0.00 C ATOM 1220 OH TYR A 79 6.773 1.697 -3.789 1.00 0.00 O ATOM 0 H TYR A 79 1.488 5.094 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 79 0.627 2.345 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.363 4.285 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.032 2.615 -0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.407 1.304 -2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.702 4.300 -0.738 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.393 0.624 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.689 3.614 -2.005 1.00 0.00 H new ATOM 0 HH TYR A 79 7.546 1.660 -3.188 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.929 2.923 -0.097 1.00 0.00 N ATOM 1231 CA PHE A 80 -2.070 3.234 0.766 1.00 0.00 C ATOM 1232 C PHE A 80 -2.173 2.216 1.919 1.00 0.00 C ATOM 1233 O PHE A 80 -1.759 1.066 1.754 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.375 3.250 -0.070 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.649 1.982 -0.854 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.327 0.914 -0.276 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.224 1.859 -2.169 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.569 -0.243 -0.991 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.465 0.705 -2.887 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.138 -0.348 -2.298 1.00 0.00 C ATOM 0 H PHE A 80 -0.676 1.935 -0.109 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.922 4.222 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.215 3.434 0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.333 4.088 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.669 0.990 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.697 2.677 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.095 -1.065 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.127 0.625 -3.910 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.326 -1.251 -2.859 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.724 2.607 3.106 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.861 1.690 4.248 1.00 0.00 C ATOM 1252 C PRO A 81 -3.948 0.642 4.007 1.00 0.00 C ATOM 1253 O PRO A 81 -4.986 0.941 3.421 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.255 2.604 5.421 1.00 0.00 C ATOM 1255 CG PRO A 81 -3.061 4.000 4.929 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.251 3.944 3.443 1.00 0.00 C ATOM 0 HA PRO A 81 -1.943 1.131 4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.290 2.434 5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.635 2.408 6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.779 4.679 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.067 4.368 5.182 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.299 4.050 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.703 4.737 2.933 1.00 0.00 H new ATOM 1264 N SER A 82 -3.700 -0.585 4.463 1.00 0.00 N ATOM 1265 CA SER A 82 -4.654 -1.685 4.297 1.00 0.00 C ATOM 1266 C SER A 82 -5.932 -1.436 5.102 1.00 0.00 C ATOM 1267 O SER A 82 -6.987 -2.003 4.801 1.00 0.00 O ATOM 1268 CB SER A 82 -4.007 -3.005 4.732 1.00 0.00 C ATOM 1269 OG SER A 82 -3.753 -3.014 6.127 1.00 0.00 O ATOM 0 H SER A 82 -2.844 -0.845 4.952 1.00 0.00 H new ATOM 0 HA SER A 82 -4.926 -1.745 3.243 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.662 -3.837 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.074 -3.153 4.188 1.00 0.00 H new ATOM 0 HG SER A 82 -3.342 -3.867 6.379 1.00 0.00 H new ATOM 1275 N SER A 83 -5.819 -0.587 6.125 1.00 0.00 N ATOM 1276 CA SER A 83 -6.941 -0.250 6.999 1.00 0.00 C ATOM 1277 C SER A 83 -8.035 0.551 6.286 1.00 0.00 C ATOM 1278 O SER A 83 -9.169 0.601 6.773 1.00 0.00 O ATOM 1279 CB SER A 83 -6.438 0.535 8.212 1.00 0.00 C ATOM 1280 OG SER A 83 -5.797 1.735 7.815 1.00 0.00 O ATOM 0 H SER A 83 -4.948 -0.115 6.370 1.00 0.00 H new ATOM 0 HA SER A 83 -7.388 -1.192 7.316 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.275 0.767 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.743 -0.080 8.784 1.00 0.00 H new ATOM 0 HG SER A 83 -5.487 2.218 8.609 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.711 1.181 5.147 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.715 1.969 4.422 1.00 0.00 C ATOM 1288 C ILE A 84 -9.434 1.146 3.353 1.00 0.00 C ATOM 1289 O ILE A 84 -10.350 1.650 2.702 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.133 3.251 3.777 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.191 2.925 2.615 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.420 4.090 4.829 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.916 4.106 1.718 1.00 0.00 C ATOM 0 H ILE A 84 -6.786 1.162 4.718 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.435 2.271 5.182 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.964 3.826 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.247 2.554 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.624 2.120 2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.015 4.989 4.364 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.127 4.372 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.608 3.510 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.242 3.805 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.852 4.463 1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.455 4.905 2.299 1.00 0.00 H new ATOM 1305 N VAL A 85 -9.021 -0.113 3.167 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.651 -0.974 2.162 1.00 0.00 C ATOM 1307 C VAL A 85 -10.123 -2.294 2.761 1.00 0.00 C ATOM 1308 O VAL A 85 -9.769 -2.641 3.891 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.708 -1.270 0.964 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.310 0.013 0.249 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.470 -2.043 1.411 1.00 0.00 C ATOM 0 H VAL A 85 -8.264 -0.553 3.691 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.514 -0.417 1.797 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.259 -1.894 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.650 -0.225 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.203 0.512 -0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.791 0.672 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.830 -2.235 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.921 -1.456 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.774 -2.991 1.855 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.918 -3.024 1.980 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.446 -4.315 2.396 1.00 0.00 C ATOM 1323 C ARG A 86 -11.411 -5.299 1.227 1.00 0.00 C ATOM 1324 O ARG A 86 -12.069 -5.085 0.205 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.879 -4.159 2.925 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.488 -5.450 3.458 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.903 -5.236 3.973 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.943 -4.333 5.125 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.061 -3.978 5.768 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -17.247 -4.440 5.381 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.988 -3.155 6.804 1.00 0.00 N ATOM 0 H ARG A 86 -11.211 -2.736 1.046 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.823 -4.707 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.883 -3.413 3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.511 -3.775 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.498 -6.200 2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.864 -5.842 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.521 -4.829 3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.335 -6.197 4.252 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.059 -3.949 5.460 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.312 -5.074 4.584 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.091 -4.161 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.083 -2.796 7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.837 -2.881 7.298 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.637 -6.374 1.394 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.509 -7.405 0.366 1.00 0.00 C ATOM 1347 C GLU A 87 -11.741 -8.302 0.339 1.00 0.00 C ATOM 1348 O GLU A 87 -12.172 -8.808 1.380 1.00 0.00 O ATOM 1349 CB GLU A 87 -9.259 -8.254 0.608 1.00 0.00 C ATOM 1350 CG GLU A 87 -8.021 -7.764 -0.125 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.863 -8.740 -0.008 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.043 -9.924 -0.362 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.773 -8.319 0.428 1.00 0.00 O ATOM 0 H GLU A 87 -10.088 -6.552 2.235 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.419 -6.905 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.050 -8.275 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.466 -9.280 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.260 -7.611 -1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.721 -6.797 0.278 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.303 -8.491 -0.856 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.490 -9.325 -1.026 1.00 0.00 C ATOM 1362 C ASP A 88 -13.236 -10.464 -2.009 1.00 0.00 C ATOM 1363 O ASP A 88 -13.781 -11.558 -1.844 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.680 -8.487 -1.507 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.200 -7.535 -0.445 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.448 -6.627 -0.036 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.364 -7.698 -0.024 1.00 0.00 O ATOM 0 H ASP A 88 -11.954 -8.077 -1.720 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.725 -9.755 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.383 -7.915 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.485 -9.153 -1.816 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.425 -10.200 -3.039 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.131 -11.221 -4.054 1.00 0.00 C ATOM 1374 C GLN A 89 -10.682 -11.125 -4.548 1.00 0.00 C ATOM 1375 O GLN A 89 -10.157 -10.030 -4.737 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.110 -11.065 -5.229 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.465 -12.366 -5.944 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.338 -12.913 -6.797 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.879 -12.260 -7.735 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -11.886 -14.119 -6.478 1.00 0.00 N ATOM 0 H GLN A 89 -11.966 -9.302 -3.192 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.254 -12.205 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.028 -10.607 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.679 -10.375 -5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.745 -13.114 -5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.339 -12.199 -6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.295 -14.626 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.130 -14.539 -7.018 1.00 0.00 H new ATOM 1389 N THR A 90 -10.055 -12.290 -4.764 1.00 0.00 N ATOM 1390 CA THR A 90 -8.671 -12.366 -5.252 1.00 0.00 C ATOM 1391 C THR A 90 -8.663 -12.696 -6.749 1.00 0.00 C ATOM 1392 O THR A 90 -9.262 -13.681 -7.175 1.00 0.00 O ATOM 1393 CB THR A 90 -7.892 -13.433 -4.466 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.954 -13.172 -3.076 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.424 -13.539 -4.841 1.00 0.00 C ATOM 0 H THR A 90 -10.489 -13.200 -4.607 1.00 0.00 H new ATOM 0 HA THR A 90 -8.187 -11.401 -5.102 1.00 0.00 H new ATOM 0 HB THR A 90 -8.376 -14.374 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.528 -12.310 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.950 -14.315 -4.240 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.336 -13.794 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.931 -12.584 -4.656 1.00 0.00 H new ATOM 1403 N LEU A 91 -7.989 -11.865 -7.539 1.00 0.00 N ATOM 1404 CA LEU A 91 -7.924 -12.063 -8.988 1.00 0.00 C ATOM 1405 C LEU A 91 -6.770 -12.990 -9.367 1.00 0.00 C ATOM 1406 O LEU A 91 -6.814 -13.652 -10.407 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.757 -10.708 -9.696 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.692 -9.585 -9.213 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.297 -8.260 -9.840 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.149 -9.903 -9.522 1.00 0.00 C ATOM 0 H LEU A 91 -7.480 -11.048 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.856 -12.529 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.726 -10.377 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.916 -10.855 -10.764 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.588 -9.509 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.968 -7.477 -9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.273 -8.015 -9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.366 -8.336 -10.925 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.782 -9.089 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.276 -10.019 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.433 -10.829 -9.021 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.757 -13.040 -8.497 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.575 -13.891 -8.688 1.00 0.00 C ATOM 1424 C LYS A 92 -3.764 -13.985 -7.386 1.00 0.00 C ATOM 1425 O LYS A 92 -3.579 -12.973 -6.709 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.671 -13.375 -9.818 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.703 -14.269 -11.058 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.382 -14.259 -11.824 1.00 0.00 C ATOM 1429 CE LYS A 92 -1.267 -14.967 -11.060 1.00 0.00 C ATOM 1430 NZ LYS A 92 -1.541 -16.422 -10.895 1.00 0.00 N ATOM 0 H LYS A 92 -5.732 -12.491 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.936 -14.881 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.982 -12.367 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.646 -13.304 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.937 -15.291 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.504 -13.939 -11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.521 -14.742 -12.791 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.087 -13.229 -12.022 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.323 -14.833 -11.589 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.150 -14.506 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.208 -16.734 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.564 -16.594 -10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.043 -16.955 -11.636 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.274 -15.201 -7.001 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.494 -15.394 -5.763 1.00 0.00 C ATOM 1446 C PRO A 93 -1.175 -14.621 -5.754 1.00 0.00 C ATOM 1447 O PRO A 93 -0.335 -14.795 -6.641 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.213 -16.903 -5.758 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.272 -17.482 -6.616 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.440 -16.487 -7.713 1.00 0.00 C ATOM 0 HA PRO A 93 -3.038 -15.030 -4.891 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.220 -17.123 -6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.254 -17.311 -4.748 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.980 -18.458 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.200 -17.624 -6.062 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.694 -16.617 -8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.418 -16.566 -8.187 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.000 -13.783 -4.729 1.00 0.00 N ATOM 1459 CA GLY A 94 0.221 -13.004 -4.590 1.00 0.00 C ATOM 1460 C GLY A 94 1.158 -13.632 -3.583 1.00 0.00 C ATOM 1461 O GLY A 94 1.078 -13.343 -2.386 1.00 0.00 O ATOM 0 H GLY A 94 -1.687 -13.631 -3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.719 -12.928 -5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.025 -11.989 -4.278 1.00 0.00 H new ATOM 1465 N LYS A 95 2.024 -14.515 -4.071 1.00 0.00 N ATOM 1466 CA LYS A 95 2.973 -15.229 -3.216 1.00 0.00 C ATOM 1467 C LYS A 95 4.374 -15.299 -3.835 1.00 0.00 C ATOM 1468 O LYS A 95 5.107 -16.274 -3.635 1.00 0.00 O ATOM 1469 CB LYS A 95 2.434 -16.632 -2.905 1.00 0.00 C ATOM 1470 CG LYS A 95 1.725 -17.283 -4.085 1.00 0.00 C ATOM 1471 CD LYS A 95 1.073 -18.620 -3.730 1.00 0.00 C ATOM 1472 CE LYS A 95 -0.191 -18.466 -2.883 1.00 0.00 C ATOM 1473 NZ LYS A 95 0.104 -18.115 -1.465 1.00 0.00 N ATOM 0 H LYS A 95 2.090 -14.756 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 95 3.075 -14.670 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.261 -17.269 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.743 -16.569 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.962 -16.603 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.442 -17.438 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.825 -19.151 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.792 -19.236 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.824 -17.693 -3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.758 -19.396 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.572 -18.599 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.071 -18.415 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.019 -17.086 -1.337 1.00 0.00 H new ATOM 1487 N VAL A 96 4.745 -14.248 -4.571 1.00 0.00 N ATOM 1488 CA VAL A 96 6.063 -14.169 -5.209 1.00 0.00 C ATOM 1489 C VAL A 96 6.820 -12.940 -4.695 1.00 0.00 C ATOM 1490 O VAL A 96 6.403 -11.804 -4.925 1.00 0.00 O ATOM 1491 CB VAL A 96 5.952 -14.112 -6.756 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.332 -14.093 -7.409 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.137 -15.286 -7.283 1.00 0.00 C ATOM 0 H VAL A 96 4.150 -13.437 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 96 6.612 -15.074 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 96 5.439 -13.186 -7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.221 -14.053 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.884 -13.217 -7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.878 -14.995 -7.133 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.072 -15.226 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.621 -16.221 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.134 -15.253 -6.857 1.00 0.00 H new ATOM 1503 N ASP A 97 7.926 -13.182 -3.988 1.00 0.00 N ATOM 1504 CA ASP A 97 8.739 -12.104 -3.422 1.00 0.00 C ATOM 1505 C ASP A 97 9.634 -11.463 -4.487 1.00 0.00 C ATOM 1506 O ASP A 97 10.533 -12.109 -5.031 1.00 0.00 O ATOM 1507 CB ASP A 97 9.591 -12.645 -2.264 1.00 0.00 C ATOM 1508 CG ASP A 97 10.288 -11.556 -1.456 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.032 -10.357 -1.703 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.085 -11.909 -0.560 1.00 0.00 O ATOM 0 H ASP A 97 8.280 -14.119 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 97 8.067 -11.333 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.955 -13.228 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.343 -13.325 -2.664 1.00 0.00 H new ATOM 1515 N VAL A 98 9.374 -10.182 -4.767 1.00 0.00 N ATOM 1516 CA VAL A 98 10.142 -9.420 -5.754 1.00 0.00 C ATOM 1517 C VAL A 98 10.702 -8.145 -5.115 1.00 0.00 C ATOM 1518 O VAL A 98 9.953 -7.359 -4.535 1.00 0.00 O ATOM 1519 CB VAL A 98 9.274 -9.029 -6.984 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.128 -8.387 -8.072 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.528 -10.236 -7.538 1.00 0.00 C ATOM 0 H VAL A 98 8.630 -9.648 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 98 10.956 -10.060 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 98 8.537 -8.299 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.497 -8.123 -8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.603 -7.488 -7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.895 -9.091 -8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.930 -9.931 -8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.245 -10.997 -7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.874 -10.645 -6.767 1.00 0.00 H new ATOM 1531 N LYS A 99 12.017 -7.948 -5.230 1.00 0.00 N ATOM 1532 CA LYS A 99 12.677 -6.764 -4.667 1.00 0.00 C ATOM 1533 C LYS A 99 12.419 -5.530 -5.539 1.00 0.00 C ATOM 1534 O LYS A 99 12.058 -5.658 -6.711 1.00 0.00 O ATOM 1535 CB LYS A 99 14.187 -7.007 -4.522 1.00 0.00 C ATOM 1536 CG LYS A 99 14.890 -7.373 -5.823 1.00 0.00 C ATOM 1537 CD LYS A 99 16.400 -7.521 -5.645 1.00 0.00 C ATOM 1538 CE LYS A 99 16.771 -8.784 -4.873 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.349 -10.020 -5.590 1.00 0.00 N ATOM 0 H LYS A 99 12.647 -8.592 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 99 12.257 -6.580 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.650 -6.109 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.347 -7.807 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.478 -8.307 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.688 -6.606 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.879 -7.543 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.789 -6.649 -5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.849 -8.808 -4.713 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.303 -8.758 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.856 -10.839 -5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.325 -10.158 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.571 -9.927 -6.602 1.00 0.00 H new ATOM 1553 N THR A 100 12.606 -4.340 -4.958 1.00 0.00 N ATOM 1554 CA THR A 100 12.390 -3.085 -5.685 1.00 0.00 C ATOM 1555 C THR A 100 13.717 -2.474 -6.137 1.00 0.00 C ATOM 1556 O THR A 100 14.782 -2.844 -5.636 1.00 0.00 O ATOM 1557 CB THR A 100 11.629 -2.077 -4.816 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.383 -1.734 -3.666 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.281 -2.581 -4.345 1.00 0.00 C ATOM 0 H THR A 100 12.905 -4.220 -3.990 1.00 0.00 H new ATOM 0 HA THR A 100 11.793 -3.316 -6.567 1.00 0.00 H new ATOM 0 HB THR A 100 11.469 -1.211 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.378 -2.484 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.799 -1.816 -3.736 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.654 -2.805 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.418 -3.485 -3.751 1.00 0.00 H new ATOM 1567 N ASP A 101 13.633 -1.534 -7.081 1.00 0.00 N ATOM 1568 CA ASP A 101 14.815 -0.853 -7.610 1.00 0.00 C ATOM 1569 C ASP A 101 14.854 0.601 -7.135 1.00 0.00 C ATOM 1570 O ASP A 101 13.986 1.029 -6.369 1.00 0.00 O ATOM 1571 CB ASP A 101 14.823 -0.911 -9.142 1.00 0.00 C ATOM 1572 CG ASP A 101 14.944 -2.327 -9.678 1.00 0.00 C ATOM 1573 OD1 ASP A 101 14.027 -3.140 -9.433 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.959 -2.623 -10.343 1.00 0.00 O ATOM 0 H ASP A 101 12.753 -1.226 -7.496 1.00 0.00 H new ATOM 0 HA ASP A 101 15.703 -1.363 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.906 -0.461 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.652 -0.313 -9.519 1.00 0.00 H new ATOM 1579 N LYS A 102 15.862 1.353 -7.591 1.00 0.00 N ATOM 1580 CA LYS A 102 16.012 2.758 -7.208 1.00 0.00 C ATOM 1581 C LYS A 102 15.043 3.657 -7.980 1.00 0.00 C ATOM 1582 O LYS A 102 14.724 4.759 -7.530 1.00 0.00 O ATOM 1583 CB LYS A 102 17.456 3.237 -7.432 1.00 0.00 C ATOM 1584 CG LYS A 102 17.929 3.146 -8.883 1.00 0.00 C ATOM 1585 CD LYS A 102 19.222 3.918 -9.125 1.00 0.00 C ATOM 1586 CE LYS A 102 19.004 5.429 -9.089 1.00 0.00 C ATOM 1587 NZ LYS A 102 20.267 6.178 -9.336 1.00 0.00 N ATOM 0 H LYS A 102 16.584 1.011 -8.225 1.00 0.00 H new ATOM 0 HA LYS A 102 15.775 2.829 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.539 4.271 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.124 2.646 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.079 2.099 -9.148 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.150 3.532 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.957 3.640 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.637 3.635 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.264 5.707 -9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.597 5.714 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.077 7.200 -9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.965 5.932 -8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 20.643 5.926 -10.272 1.00 0.00 H new ATOM 1601 N TRP A 103 14.587 3.183 -9.144 1.00 0.00 N ATOM 1602 CA TRP A 103 13.663 3.945 -9.988 1.00 0.00 C ATOM 1603 C TRP A 103 12.237 3.897 -9.440 1.00 0.00 C ATOM 1604 O TRP A 103 11.380 4.681 -9.855 1.00 0.00 O ATOM 1605 CB TRP A 103 13.684 3.419 -11.432 1.00 0.00 C ATOM 1606 CG TRP A 103 15.043 3.450 -12.073 1.00 0.00 C ATOM 1607 CD1 TRP A 103 16.002 2.480 -12.009 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.601 4.511 -12.864 1.00 0.00 C ATOM 1609 NE1 TRP A 103 17.117 2.867 -12.711 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.896 4.109 -13.244 1.00 0.00 C ATOM 1611 CE3 TRP A 103 15.132 5.759 -13.289 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.726 4.909 -14.026 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.956 6.552 -14.065 1.00 0.00 C ATOM 1614 CH2 TRP A 103 17.240 6.125 -14.427 1.00 0.00 C ATOM 0 H TRP A 103 14.844 2.272 -9.524 1.00 0.00 H new ATOM 0 HA TRP A 103 13.998 4.982 -9.982 1.00 0.00 H new ATOM 0 HB2 TRP A 103 13.313 2.394 -11.440 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.996 4.012 -12.034 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.898 1.543 -11.482 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.971 2.319 -12.818 1.00 0.00 H new ATOM 0 HE3 TRP A 103 14.143 6.097 -13.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.717 4.582 -14.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 15.604 7.517 -14.398 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.859 6.768 -15.035 1.00 0.00 H new ATOM 1625 N ASP A 104 11.995 2.974 -8.508 1.00 0.00 N ATOM 1626 CA ASP A 104 10.677 2.816 -7.897 1.00 0.00 C ATOM 1627 C ASP A 104 10.454 3.845 -6.788 1.00 0.00 C ATOM 1628 O ASP A 104 9.312 4.205 -6.490 1.00 0.00 O ATOM 1629 CB ASP A 104 10.519 1.398 -7.336 1.00 0.00 C ATOM 1630 CG ASP A 104 10.512 0.335 -8.420 1.00 0.00 C ATOM 1631 OD1 ASP A 104 11.535 0.191 -9.124 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.483 -0.358 -8.564 1.00 0.00 O ATOM 0 H ASP A 104 12.698 2.323 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 104 9.927 2.981 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.332 1.195 -6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.590 1.338 -6.768 1.00 0.00 H new ATOM 1637 N PHE A 105 11.551 4.306 -6.178 1.00 0.00 N ATOM 1638 CA PHE A 105 11.481 5.289 -5.094 1.00 0.00 C ATOM 1639 C PHE A 105 12.222 6.581 -5.468 1.00 0.00 C ATOM 1640 O PHE A 105 12.960 7.148 -4.654 1.00 0.00 O ATOM 1641 CB PHE A 105 12.053 4.701 -3.789 1.00 0.00 C ATOM 1642 CG PHE A 105 11.253 3.561 -3.202 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.357 2.275 -3.716 1.00 0.00 C ATOM 1644 CD2 PHE A 105 10.400 3.778 -2.131 1.00 0.00 C ATOM 1645 CE1 PHE A 105 10.625 1.235 -3.174 1.00 0.00 C ATOM 1646 CE2 PHE A 105 9.666 2.740 -1.588 1.00 0.00 C ATOM 1647 CZ PHE A 105 9.781 1.468 -2.110 1.00 0.00 C ATOM 0 H PHE A 105 12.498 4.013 -6.417 1.00 0.00 H new ATOM 0 HA PHE A 105 10.431 5.535 -4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 105 13.069 4.354 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 105 12.122 5.497 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.018 2.085 -4.549 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.308 4.771 -1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 105 10.715 0.240 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.003 2.925 -0.756 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.210 0.656 -1.685 1.00 0.00 H new ATOM 1657 N TYR A 106 12.014 7.042 -6.706 1.00 0.00 N ATOM 1658 CA TYR A 106 12.652 8.266 -7.199 1.00 0.00 C ATOM 1659 C TYR A 106 11.768 8.945 -8.248 1.00 0.00 C ATOM 1660 O TYR A 106 11.525 8.390 -9.323 1.00 0.00 O ATOM 1661 CB TYR A 106 14.036 7.933 -7.795 1.00 0.00 C ATOM 1662 CG TYR A 106 14.904 9.133 -8.158 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.963 10.259 -7.345 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.676 9.126 -9.316 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.756 11.337 -7.665 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.476 10.205 -9.646 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.513 11.308 -8.816 1.00 0.00 C ATOM 1668 OH TYR A 106 17.309 12.383 -9.141 1.00 0.00 O ATOM 0 H TYR A 106 11.407 6.584 -7.386 1.00 0.00 H new ATOM 0 HA TYR A 106 12.784 8.955 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 106 14.581 7.317 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.890 7.329 -8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.373 10.288 -6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.650 8.265 -9.967 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.785 12.201 -7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.069 10.185 -10.548 1.00 0.00 H new ATOM 0 HH TYR A 106 16.955 12.821 -9.943 1.00 0.00 H new ATOM 1678 N CYS A 107 11.298 10.150 -7.923 1.00 0.00 N ATOM 1679 CA CYS A 107 10.446 10.923 -8.825 1.00 0.00 C ATOM 1680 C CYS A 107 11.055 12.294 -9.099 1.00 0.00 C ATOM 1681 O CYS A 107 11.609 12.924 -8.198 1.00 0.00 O ATOM 1682 CB CYS A 107 9.040 11.079 -8.233 1.00 0.00 C ATOM 1683 SG CYS A 107 9.015 11.668 -6.511 1.00 0.00 S ATOM 0 H CYS A 107 11.495 10.613 -7.036 1.00 0.00 H new ATOM 0 HA CYS A 107 10.371 10.382 -9.768 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.473 11.775 -8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.528 10.118 -8.284 1.00 0.00 H new ATOM 1688 N GLN A 108 10.957 12.743 -10.351 1.00 0.00 N ATOM 1689 CA GLN A 108 11.500 14.034 -10.756 1.00 0.00 C ATOM 1690 C GLN A 108 10.431 14.890 -11.431 1.00 0.00 C ATOM 1691 O GLN A 108 9.474 14.312 -11.988 1.00 0.00 O ATOM 1692 CB GLN A 108 12.682 13.835 -11.704 1.00 0.00 C ATOM 1693 CG GLN A 108 13.899 13.197 -11.049 1.00 0.00 C ATOM 1694 CD GLN A 108 15.080 13.087 -11.997 1.00 0.00 C ATOM 1695 OE1 GLN A 108 16.184 13.733 -11.641 1.00 0.00 O flip ATOM 1696 NE2 GLN A 108 15.001 12.430 -13.036 1.00 0.00 N flip ATOM 1697 OXT GLN A 108 10.561 16.132 -11.397 1.00 0.00 O ATOM 0 H GLN A 108 10.503 12.226 -11.104 1.00 0.00 H new ATOM 0 HA GLN A 108 11.841 14.553 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 108 12.363 13.212 -12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.970 14.801 -12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.190 13.786 -10.179 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.634 12.203 -10.688 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.133 11.949 -13.271 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.804 12.367 -13.662 1.00 0.00 H new TER 1706 GLN A 108