USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=22 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 23 SER OG : rot -154:sc= 0.00434 USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.00291 (180deg=-0.225) USER MOD Single : A 4 MET CE :methyl -176:sc= -1.53 (180deg=-1.56) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -21:sc= 0.363 USER MOD Single : A 20 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1.4) USER MOD Single : A 24 MET CE :methyl 156:sc= -0.142 (180deg=-0.709) USER MOD Single : A 29 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.051) USER MOD Single : A 31 TYR OH : rot -157:sc= 0.0143 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 42 HIS : no HE2:sc= 0.0865 X(o=0.086,f=-0.41) USER MOD Single : A 45 GLN : amide:sc=-0.00309 K(o=-0.0031,f=-3.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= 0.0279 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -74:sc= 0.124 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 180:sc= 0 USER MOD Single : A 82 SER OG : rot -73:sc= 0.152 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.4 X(o=-1.4,f=-0.99) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -163:sc= -0.0582 (180deg=-0.343) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -66:sc= 0.776 USER MOD Single : A 102 LYS NZ :NH3+ -140:sc= 0.363 (180deg=-0.177) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.478 15.942 -2.865 1.00 0.00 N ATOM 2 CA MET A 1 8.446 15.295 -3.791 1.00 0.00 C ATOM 3 C MET A 1 9.858 15.289 -3.205 1.00 0.00 C ATOM 4 O MET A 1 10.203 16.144 -2.384 1.00 0.00 O ATOM 5 CB MET A 1 8.418 16.037 -5.136 1.00 0.00 C ATOM 6 CG MET A 1 8.716 17.528 -5.036 1.00 0.00 C ATOM 7 SD MET A 1 8.679 18.352 -6.639 1.00 0.00 S ATOM 8 CE MET A 1 9.066 20.035 -6.166 1.00 0.00 C ATOM 0 H1 MET A 1 6.752 16.443 -3.416 1.00 0.00 H new ATOM 0 H2 MET A 1 7.024 15.216 -2.275 1.00 0.00 H new ATOM 0 H3 MET A 1 7.980 16.619 -2.256 1.00 0.00 H new ATOM 0 HA MET A 1 8.156 14.255 -3.939 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.144 15.577 -5.806 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.436 15.904 -5.590 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.988 17.997 -4.374 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.697 17.669 -4.582 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.080 20.668 -7.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.310 20.401 -5.471 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.044 20.062 -5.685 1.00 0.00 H new ATOM 20 N GLY A 2 10.663 14.315 -3.634 1.00 0.00 N ATOM 21 CA GLY A 2 12.031 14.198 -3.153 1.00 0.00 C ATOM 22 C GLY A 2 12.331 12.822 -2.578 1.00 0.00 C ATOM 23 O GLY A 2 11.416 12.007 -2.433 1.00 0.00 O ATOM 0 H GLY A 2 10.389 13.602 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.720 14.404 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.210 14.954 -2.389 1.00 0.00 H new ATOM 27 N PRO A 3 13.613 12.521 -2.236 1.00 0.00 N ATOM 28 CA PRO A 3 13.994 11.229 -1.681 1.00 0.00 C ATOM 29 C PRO A 3 13.763 11.148 -0.172 1.00 0.00 C ATOM 30 O PRO A 3 14.495 11.750 0.621 1.00 0.00 O ATOM 31 CB PRO A 3 15.487 11.111 -2.014 1.00 0.00 C ATOM 32 CG PRO A 3 15.939 12.458 -2.487 1.00 0.00 C ATOM 33 CD PRO A 3 14.781 13.405 -2.363 1.00 0.00 C ATOM 0 HA PRO A 3 13.394 10.419 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.054 10.800 -1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.652 10.357 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.783 12.808 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 3 16.279 12.405 -3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.887 14.054 -1.494 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.699 14.052 -3.236 1.00 0.00 H new ATOM 41 N MET A 4 12.736 10.392 0.208 1.00 0.00 N ATOM 42 CA MET A 4 12.374 10.199 1.609 1.00 0.00 C ATOM 43 C MET A 4 12.681 8.730 2.009 1.00 0.00 C ATOM 44 O MET A 4 13.103 7.964 1.139 1.00 0.00 O ATOM 45 CB MET A 4 10.884 10.589 1.802 1.00 0.00 C ATOM 46 CG MET A 4 9.873 9.475 1.546 1.00 0.00 C ATOM 47 SD MET A 4 9.916 8.819 -0.128 1.00 0.00 S ATOM 48 CE MET A 4 8.950 7.340 0.125 1.00 0.00 C ATOM 0 H MET A 4 12.131 9.896 -0.447 1.00 0.00 H new ATOM 0 HA MET A 4 12.960 10.840 2.268 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.750 10.949 2.822 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.656 11.422 1.137 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.058 8.662 2.249 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.871 9.853 1.752 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.926 6.759 -0.797 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.399 6.743 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 4 7.933 7.613 0.408 1.00 0.00 H new ATOM 58 N PRO A 5 12.502 8.297 3.309 1.00 0.00 N ATOM 59 CA PRO A 5 12.792 6.907 3.728 1.00 0.00 C ATOM 60 C PRO A 5 12.164 5.854 2.812 1.00 0.00 C ATOM 61 O PRO A 5 11.094 6.072 2.240 1.00 0.00 O ATOM 62 CB PRO A 5 12.181 6.819 5.124 1.00 0.00 C ATOM 63 CG PRO A 5 12.248 8.207 5.647 1.00 0.00 C ATOM 64 CD PRO A 5 12.024 9.102 4.461 1.00 0.00 C ATOM 0 HA PRO A 5 13.862 6.702 3.693 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.153 6.459 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.737 6.129 5.758 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.489 8.374 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.215 8.405 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.972 9.367 4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.580 10.035 4.554 1.00 0.00 H new ATOM 72 N LYS A 6 12.856 4.723 2.675 1.00 0.00 N ATOM 73 CA LYS A 6 12.413 3.619 1.823 1.00 0.00 C ATOM 74 C LYS A 6 11.099 3.008 2.310 1.00 0.00 C ATOM 75 O LYS A 6 10.257 2.636 1.494 1.00 0.00 O ATOM 76 CB LYS A 6 13.497 2.530 1.748 1.00 0.00 C ATOM 77 CG LYS A 6 14.720 2.899 0.915 1.00 0.00 C ATOM 78 CD LYS A 6 15.656 3.849 1.646 1.00 0.00 C ATOM 79 CE LYS A 6 17.106 3.493 1.390 1.00 0.00 C ATOM 80 NZ LYS A 6 18.040 4.431 2.072 1.00 0.00 N ATOM 0 H LYS A 6 13.740 4.546 3.152 1.00 0.00 H new ATOM 0 HA LYS A 6 12.240 4.031 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.823 2.292 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.054 1.624 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.263 1.992 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.395 3.360 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.467 4.872 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.453 3.812 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.296 2.477 1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.298 3.506 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.021 4.151 1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.877 5.397 1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.875 4.400 3.098 1.00 0.00 H new ATOM 94 N LEU A 7 10.959 2.905 3.647 1.00 0.00 N ATOM 95 CA LEU A 7 9.769 2.341 4.336 1.00 0.00 C ATOM 96 C LEU A 7 9.426 0.898 3.896 1.00 0.00 C ATOM 97 O LEU A 7 8.418 0.338 4.336 1.00 0.00 O ATOM 98 CB LEU A 7 8.546 3.301 4.239 1.00 0.00 C ATOM 99 CG LEU A 7 7.705 3.274 2.949 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.456 2.435 3.145 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.331 4.686 2.522 1.00 0.00 C ATOM 0 H LEU A 7 11.682 3.216 4.296 1.00 0.00 H new ATOM 0 HA LEU A 7 10.037 2.259 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.882 3.081 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.909 4.319 4.380 1.00 0.00 H new ATOM 0 HG LEU A 7 8.306 2.823 2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.874 2.428 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.740 1.415 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.855 2.859 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.737 4.645 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.750 5.163 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.238 5.263 2.339 1.00 0.00 H new ATOM 113 N ALA A 8 10.280 0.297 3.053 1.00 0.00 N ATOM 114 CA ALA A 8 10.078 -1.074 2.572 1.00 0.00 C ATOM 115 C ALA A 8 11.364 -1.637 1.970 1.00 0.00 C ATOM 116 O ALA A 8 12.360 -0.922 1.833 1.00 0.00 O ATOM 117 CB ALA A 8 8.959 -1.118 1.537 1.00 0.00 C ATOM 0 H ALA A 8 11.122 0.745 2.690 1.00 0.00 H new ATOM 0 HA ALA A 8 9.796 -1.690 3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.823 -2.143 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.033 -0.761 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.220 -0.482 0.692 1.00 0.00 H new ATOM 123 N ASP A 9 11.331 -2.924 1.609 1.00 0.00 N ATOM 124 CA ASP A 9 12.486 -3.592 1.013 1.00 0.00 C ATOM 125 C ASP A 9 12.034 -4.514 -0.122 1.00 0.00 C ATOM 126 O ASP A 9 12.532 -4.416 -1.247 1.00 0.00 O ATOM 127 CB ASP A 9 13.251 -4.386 2.083 1.00 0.00 C ATOM 128 CG ASP A 9 14.648 -4.808 1.643 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.070 -4.439 0.523 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.324 -5.506 2.427 1.00 0.00 O ATOM 0 H ASP A 9 10.513 -3.523 1.721 1.00 0.00 H new ATOM 0 HA ASP A 9 13.156 -2.838 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.330 -3.781 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.677 -5.275 2.344 1.00 0.00 H new ATOM 135 N ARG A 10 11.079 -5.399 0.182 1.00 0.00 N ATOM 136 CA ARG A 10 10.535 -6.336 -0.806 1.00 0.00 C ATOM 137 C ARG A 10 9.011 -6.251 -0.840 1.00 0.00 C ATOM 138 O ARG A 10 8.376 -5.925 0.167 1.00 0.00 O ATOM 139 CB ARG A 10 10.955 -7.784 -0.503 1.00 0.00 C ATOM 140 CG ARG A 10 12.370 -8.148 -0.913 1.00 0.00 C ATOM 141 CD ARG A 10 13.388 -7.742 0.141 1.00 0.00 C ATOM 142 NE ARG A 10 13.140 -8.373 1.444 1.00 0.00 N ATOM 143 CZ ARG A 10 13.337 -9.671 1.718 1.00 0.00 C ATOM 144 NH1 ARG A 10 13.824 -10.500 0.798 1.00 0.00 N ATOM 145 NH2 ARG A 10 13.053 -10.137 2.926 1.00 0.00 N ATOM 0 H ARG A 10 10.665 -5.486 1.110 1.00 0.00 H new ATOM 0 HA ARG A 10 10.940 -6.053 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.848 -7.959 0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.263 -8.459 -1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.433 -9.223 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.611 -7.660 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.387 -8.010 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.371 -6.658 0.258 1.00 0.00 H new ATOM 0 HE ARG A 10 12.792 -7.779 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.054 -10.151 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.968 -11.484 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.687 -9.509 3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.201 -11.123 3.140 1.00 0.00 H new ATOM 159 N LYS A 11 8.433 -6.546 -2.006 1.00 0.00 N ATOM 160 CA LYS A 11 6.986 -6.508 -2.193 1.00 0.00 C ATOM 161 C LYS A 11 6.450 -7.880 -2.601 1.00 0.00 C ATOM 162 O LYS A 11 7.218 -8.764 -2.994 1.00 0.00 O ATOM 163 CB LYS A 11 6.624 -5.457 -3.250 1.00 0.00 C ATOM 164 CG LYS A 11 7.283 -5.694 -4.602 1.00 0.00 C ATOM 165 CD LYS A 11 7.053 -4.532 -5.547 1.00 0.00 C ATOM 166 CE LYS A 11 7.729 -4.762 -6.889 1.00 0.00 C ATOM 167 NZ LYS A 11 7.515 -3.622 -7.821 1.00 0.00 N ATOM 0 H LYS A 11 8.953 -6.816 -2.841 1.00 0.00 H new ATOM 0 HA LYS A 11 6.523 -6.235 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.542 -5.444 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.912 -4.472 -2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.354 -5.845 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.887 -6.608 -5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.983 -4.390 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.436 -3.615 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.798 -4.910 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.341 -5.676 -7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.992 -3.818 -8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.496 -3.496 -7.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.907 -2.754 -7.404 1.00 0.00 H new ATOM 181 N LEU A 12 5.130 -8.043 -2.509 1.00 0.00 N ATOM 182 CA LEU A 12 4.472 -9.296 -2.871 1.00 0.00 C ATOM 183 C LEU A 12 3.570 -9.096 -4.082 1.00 0.00 C ATOM 184 O LEU A 12 2.566 -8.381 -4.010 1.00 0.00 O ATOM 185 CB LEU A 12 3.654 -9.840 -1.689 1.00 0.00 C ATOM 186 CG LEU A 12 4.465 -10.279 -0.462 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.539 -10.540 0.715 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.290 -11.524 -0.770 1.00 0.00 C ATOM 0 H LEU A 12 4.492 -7.316 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 12 5.243 -10.023 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.946 -9.072 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.069 -10.691 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 12 5.150 -9.472 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.127 -10.851 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.992 -9.629 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.833 -11.328 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.855 -11.814 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.626 -12.338 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.980 -11.311 -1.587 1.00 0.00 H new ATOM 200 N CYS A 13 3.946 -9.732 -5.193 1.00 0.00 N ATOM 201 CA CYS A 13 3.192 -9.640 -6.439 1.00 0.00 C ATOM 202 C CYS A 13 2.669 -11.015 -6.860 1.00 0.00 C ATOM 203 O CYS A 13 2.989 -12.031 -6.228 1.00 0.00 O ATOM 204 CB CYS A 13 4.077 -9.052 -7.542 1.00 0.00 C ATOM 205 SG CYS A 13 4.823 -7.440 -7.121 1.00 0.00 S ATOM 0 H CYS A 13 4.777 -10.321 -5.252 1.00 0.00 H new ATOM 0 HA CYS A 13 2.337 -8.984 -6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.874 -9.760 -7.770 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.482 -8.939 -8.448 1.00 0.00 H new ATOM 210 N ALA A 14 1.865 -11.037 -7.928 1.00 0.00 N ATOM 211 CA ALA A 14 1.289 -12.279 -8.444 1.00 0.00 C ATOM 212 C ALA A 14 2.268 -13.005 -9.364 1.00 0.00 C ATOM 213 O ALA A 14 2.252 -14.234 -9.448 1.00 0.00 O ATOM 214 CB ALA A 14 -0.016 -11.994 -9.175 1.00 0.00 C ATOM 0 H ALA A 14 1.599 -10.204 -8.453 1.00 0.00 H new ATOM 0 HA ALA A 14 1.082 -12.931 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.433 -12.928 -9.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.725 -11.533 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.174 -11.318 -10.008 1.00 0.00 H new ATOM 220 N ASP A 15 3.116 -12.232 -10.050 1.00 0.00 N ATOM 221 CA ASP A 15 4.112 -12.790 -10.968 1.00 0.00 C ATOM 222 C ASP A 15 5.434 -12.029 -10.871 1.00 0.00 C ATOM 223 O ASP A 15 5.527 -11.020 -10.166 1.00 0.00 O ATOM 224 CB ASP A 15 3.597 -12.755 -12.413 1.00 0.00 C ATOM 225 CG ASP A 15 2.439 -13.706 -12.647 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.626 -14.928 -12.467 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.345 -13.228 -13.009 1.00 0.00 O ATOM 0 H ASP A 15 3.132 -11.214 -9.986 1.00 0.00 H new ATOM 0 HA ASP A 15 4.285 -13.827 -10.679 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.283 -11.740 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.412 -13.009 -13.091 1.00 0.00 H new ATOM 232 N GLN A 16 6.449 -12.525 -11.590 1.00 0.00 N ATOM 233 CA GLN A 16 7.780 -11.909 -11.605 1.00 0.00 C ATOM 234 C GLN A 16 7.743 -10.537 -12.293 1.00 0.00 C ATOM 235 O GLN A 16 8.635 -9.708 -12.094 1.00 0.00 O ATOM 236 CB GLN A 16 8.771 -12.844 -12.314 1.00 0.00 C ATOM 237 CG GLN A 16 10.232 -12.440 -12.160 1.00 0.00 C ATOM 238 CD GLN A 16 11.180 -13.389 -12.870 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.236 -14.579 -12.558 1.00 0.00 O ATOM 240 NE2 GLN A 16 11.932 -12.866 -13.832 1.00 0.00 N ATOM 0 H GLN A 16 6.371 -13.358 -12.173 1.00 0.00 H new ATOM 0 HA GLN A 16 8.107 -11.755 -10.577 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.642 -13.854 -11.925 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.525 -12.878 -13.375 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.370 -11.433 -12.554 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.485 -12.405 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.854 -11.875 -14.058 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.588 -13.456 -14.344 1.00 0.00 H new ATOM 249 N GLU A 17 6.694 -10.305 -13.086 1.00 0.00 N ATOM 250 CA GLU A 17 6.521 -9.037 -13.792 1.00 0.00 C ATOM 251 C GLU A 17 5.763 -8.042 -12.926 1.00 0.00 C ATOM 252 O GLU A 17 5.823 -6.833 -13.170 1.00 0.00 O ATOM 253 CB GLU A 17 5.754 -9.238 -15.111 1.00 0.00 C ATOM 254 CG GLU A 17 6.524 -10.013 -16.178 1.00 0.00 C ATOM 255 CD GLU A 17 6.475 -11.527 -16.002 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.702 -12.016 -15.149 1.00 0.00 O ATOM 257 OE2 GLU A 17 7.203 -12.226 -16.738 1.00 0.00 O ATOM 0 H GLU A 17 5.950 -10.982 -13.254 1.00 0.00 H new ATOM 0 HA GLU A 17 7.515 -8.648 -14.013 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.823 -9.763 -14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.484 -8.261 -15.513 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.122 -9.758 -17.159 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.565 -9.690 -16.167 1.00 0.00 H new ATOM 264 N CYS A 18 5.034 -8.574 -11.924 1.00 0.00 N ATOM 265 CA CYS A 18 4.222 -7.765 -11.003 1.00 0.00 C ATOM 266 C CYS A 18 3.225 -6.910 -11.798 1.00 0.00 C ATOM 267 O CYS A 18 2.853 -5.802 -11.400 1.00 0.00 O ATOM 268 CB CYS A 18 5.113 -6.895 -10.100 1.00 0.00 C ATOM 269 SG CYS A 18 4.260 -6.213 -8.640 1.00 0.00 S ATOM 0 H CYS A 18 4.994 -9.575 -11.734 1.00 0.00 H new ATOM 0 HA CYS A 18 3.659 -8.434 -10.352 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.962 -7.490 -9.765 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.514 -6.071 -10.690 1.00 0.00 H new ATOM 274 N SER A 19 2.814 -7.458 -12.943 1.00 0.00 N ATOM 275 CA SER A 19 1.879 -6.800 -13.844 1.00 0.00 C ATOM 276 C SER A 19 0.448 -7.282 -13.595 1.00 0.00 C ATOM 277 O SER A 19 -0.504 -6.785 -14.202 1.00 0.00 O ATOM 278 CB SER A 19 2.303 -7.071 -15.285 1.00 0.00 C ATOM 279 OG SER A 19 1.436 -6.443 -16.214 1.00 0.00 O ATOM 0 H SER A 19 3.124 -8.374 -13.268 1.00 0.00 H new ATOM 0 HA SER A 19 1.896 -5.726 -13.659 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.321 -6.713 -15.438 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.313 -8.146 -15.465 1.00 0.00 H new ATOM 0 HG SER A 19 0.576 -6.255 -15.783 1.00 0.00 H new ATOM 285 N HIS A 20 0.311 -8.255 -12.689 1.00 0.00 N ATOM 286 CA HIS A 20 -0.990 -8.821 -12.337 1.00 0.00 C ATOM 287 C HIS A 20 -1.460 -8.349 -10.953 1.00 0.00 C ATOM 288 O HIS A 20 -0.634 -8.143 -10.060 1.00 0.00 O ATOM 289 CB HIS A 20 -0.917 -10.352 -12.342 1.00 0.00 C ATOM 290 CG HIS A 20 -1.241 -11.017 -13.652 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.328 -12.383 -13.768 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.528 -10.520 -14.884 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.657 -12.706 -14.999 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.784 -11.595 -15.703 1.00 0.00 N ATOM 0 H HIS A 20 1.094 -8.669 -12.183 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.707 -8.476 -13.082 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.088 -10.650 -12.043 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.601 -10.732 -11.584 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.551 -9.478 -15.167 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.799 -13.710 -15.372 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.031 -11.543 -16.691 1.00 0.00 H new ATOM 303 N PRO A 21 -2.799 -8.190 -10.740 1.00 0.00 N ATOM 304 CA PRO A 21 -3.355 -7.767 -9.459 1.00 0.00 C ATOM 305 C PRO A 21 -3.688 -8.962 -8.559 1.00 0.00 C ATOM 306 O PRO A 21 -4.341 -9.915 -8.993 1.00 0.00 O ATOM 307 CB PRO A 21 -4.624 -7.016 -9.870 1.00 0.00 C ATOM 308 CG PRO A 21 -5.004 -7.536 -11.228 1.00 0.00 C ATOM 309 CD PRO A 21 -3.883 -8.420 -11.716 1.00 0.00 C ATOM 0 HA PRO A 21 -2.661 -7.163 -8.875 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.426 -7.185 -9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.446 -5.941 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.937 -8.097 -11.174 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.168 -6.710 -11.921 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.182 -9.468 -11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.574 -8.152 -12.727 1.00 0.00 H new ATOM 317 N ILE A 22 -3.225 -8.912 -7.308 1.00 0.00 N ATOM 318 CA ILE A 22 -3.468 -9.999 -6.362 1.00 0.00 C ATOM 319 C ILE A 22 -4.919 -10.009 -5.888 1.00 0.00 C ATOM 320 O ILE A 22 -5.632 -10.981 -6.116 1.00 0.00 O ATOM 321 CB ILE A 22 -2.527 -9.949 -5.121 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.052 -10.029 -5.534 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.852 -11.081 -4.144 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.429 -8.692 -5.873 1.00 0.00 C ATOM 0 H ILE A 22 -2.683 -8.135 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.253 -10.916 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.696 -8.993 -4.625 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.484 -10.487 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.963 -10.688 -6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.182 -11.025 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.884 -10.985 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.722 -12.041 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.614 -8.837 -6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.969 -8.239 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.482 -8.035 -5.005 1.00 0.00 H new ATOM 336 N SER A 23 -5.339 -8.942 -5.210 1.00 0.00 N ATOM 337 CA SER A 23 -6.701 -8.867 -4.689 1.00 0.00 C ATOM 338 C SER A 23 -7.369 -7.536 -5.006 1.00 0.00 C ATOM 339 O SER A 23 -6.730 -6.481 -4.985 1.00 0.00 O ATOM 340 CB SER A 23 -6.696 -9.092 -3.174 1.00 0.00 C ATOM 341 OG SER A 23 -6.164 -10.365 -2.850 1.00 0.00 O ATOM 0 H SER A 23 -4.761 -8.125 -5.010 1.00 0.00 H new ATOM 0 HA SER A 23 -7.278 -9.651 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.106 -8.314 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.712 -9.010 -2.787 1.00 0.00 H new ATOM 0 HG SER A 23 -6.530 -10.664 -1.991 1.00 0.00 H new ATOM 347 N MET A 24 -8.672 -7.608 -5.271 1.00 0.00 N ATOM 348 CA MET A 24 -9.479 -6.433 -5.565 1.00 0.00 C ATOM 349 C MET A 24 -10.109 -5.955 -4.263 1.00 0.00 C ATOM 350 O MET A 24 -10.976 -6.633 -3.703 1.00 0.00 O ATOM 351 CB MET A 24 -10.568 -6.782 -6.585 1.00 0.00 C ATOM 352 CG MET A 24 -11.135 -5.577 -7.318 1.00 0.00 C ATOM 353 SD MET A 24 -12.669 -5.941 -8.199 1.00 0.00 S ATOM 354 CE MET A 24 -13.792 -6.277 -6.841 1.00 0.00 C ATOM 0 H MET A 24 -9.195 -8.484 -5.287 1.00 0.00 H new ATOM 0 HA MET A 24 -8.857 -5.646 -5.992 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.158 -7.479 -7.316 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.380 -7.298 -6.073 1.00 0.00 H new ATOM 0 HG2 MET A 24 -11.316 -4.776 -6.602 1.00 0.00 H new ATOM 0 HG3 MET A 24 -10.394 -5.209 -8.028 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.817 -6.098 -7.164 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.686 -7.316 -6.530 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.556 -5.621 -6.003 1.00 0.00 H new ATOM 364 N ALA A 25 -9.649 -4.812 -3.762 1.00 0.00 N ATOM 365 CA ALA A 25 -10.154 -4.286 -2.498 1.00 0.00 C ATOM 366 C ALA A 25 -11.026 -3.054 -2.689 1.00 0.00 C ATOM 367 O ALA A 25 -10.765 -2.222 -3.557 1.00 0.00 O ATOM 368 CB ALA A 25 -8.992 -3.961 -1.572 1.00 0.00 C ATOM 0 H ALA A 25 -8.934 -4.237 -4.207 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.780 -5.059 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.376 -3.569 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.416 -4.866 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.351 -3.215 -2.041 1.00 0.00 H new ATOM 374 N VAL A 26 -12.055 -2.945 -1.849 1.00 0.00 N ATOM 375 CA VAL A 26 -12.977 -1.810 -1.887 1.00 0.00 C ATOM 376 C VAL A 26 -12.586 -0.789 -0.812 1.00 0.00 C ATOM 377 O VAL A 26 -12.249 -1.169 0.315 1.00 0.00 O ATOM 378 CB VAL A 26 -14.444 -2.268 -1.668 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.416 -1.104 -1.825 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.806 -3.389 -2.634 1.00 0.00 C ATOM 0 H VAL A 26 -12.272 -3.634 -1.129 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.909 -1.350 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.525 -2.643 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.435 -1.457 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.181 -0.332 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.328 -0.690 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.838 -3.696 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.696 -3.035 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.143 -4.239 -2.470 1.00 0.00 H new ATOM 390 N ALA A 27 -12.624 0.501 -1.171 1.00 0.00 N ATOM 391 CA ALA A 27 -12.270 1.576 -0.240 1.00 0.00 C ATOM 392 C ALA A 27 -13.397 1.850 0.750 1.00 0.00 C ATOM 393 O ALA A 27 -14.550 2.054 0.355 1.00 0.00 O ATOM 394 CB ALA A 27 -11.920 2.843 -0.997 1.00 0.00 C ATOM 0 H ALA A 27 -12.896 0.824 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.397 1.248 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.660 3.630 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.072 2.652 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.776 3.159 -1.593 1.00 0.00 H new ATOM 400 N LEU A 28 -13.048 1.841 2.036 1.00 0.00 N ATOM 401 CA LEU A 28 -14.009 2.072 3.112 1.00 0.00 C ATOM 402 C LEU A 28 -14.060 3.540 3.544 1.00 0.00 C ATOM 403 O LEU A 28 -15.020 3.956 4.199 1.00 0.00 O ATOM 404 CB LEU A 28 -13.662 1.189 4.319 1.00 0.00 C ATOM 405 CG LEU A 28 -13.847 -0.322 4.116 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.216 -1.091 5.266 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.324 -0.681 3.981 1.00 0.00 C ATOM 0 H LEU A 28 -12.095 1.674 2.360 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.995 1.811 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.624 1.375 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.277 1.501 5.163 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.346 -0.603 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.355 -2.161 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.150 -0.867 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.690 -0.798 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.425 -1.757 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.855 -0.383 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.748 -0.160 3.123 1.00 0.00 H new ATOM 419 N GLN A 29 -13.031 4.320 3.187 1.00 0.00 N ATOM 420 CA GLN A 29 -12.982 5.741 3.557 1.00 0.00 C ATOM 421 C GLN A 29 -12.141 6.559 2.567 1.00 0.00 C ATOM 422 O GLN A 29 -11.670 6.032 1.556 1.00 0.00 O ATOM 423 CB GLN A 29 -12.432 5.905 4.983 1.00 0.00 C ATOM 424 CG GLN A 29 -11.025 5.357 5.174 1.00 0.00 C ATOM 425 CD GLN A 29 -10.468 5.663 6.550 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.972 5.175 7.561 1.00 0.00 O ATOM 427 NE2 GLN A 29 -9.427 6.486 6.594 1.00 0.00 N ATOM 0 H GLN A 29 -12.228 3.995 2.648 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.002 6.124 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.436 6.964 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.103 5.403 5.680 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.034 4.278 5.020 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.367 5.781 4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.041 6.867 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.013 6.737 7.492 1.00 0.00 H new ATOM 436 N ASP A 30 -11.962 7.853 2.875 1.00 0.00 N ATOM 437 CA ASP A 30 -11.184 8.759 2.028 1.00 0.00 C ATOM 438 C ASP A 30 -9.747 8.897 2.523 1.00 0.00 C ATOM 439 O ASP A 30 -9.466 8.725 3.713 1.00 0.00 O ATOM 440 CB ASP A 30 -11.836 10.145 1.968 1.00 0.00 C ATOM 441 CG ASP A 30 -13.113 10.164 1.150 1.00 0.00 C ATOM 442 OD1 ASP A 30 -14.075 9.472 1.534 1.00 0.00 O ATOM 443 OD2 ASP A 30 -13.148 10.873 0.123 1.00 0.00 O ATOM 0 H ASP A 30 -12.349 8.293 3.710 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.166 8.324 1.029 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.055 10.482 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.128 10.856 1.542 1.00 0.00 H new ATOM 448 N TYR A 31 -8.850 9.218 1.590 1.00 0.00 N ATOM 449 CA TYR A 31 -7.432 9.399 1.881 1.00 0.00 C ATOM 450 C TYR A 31 -6.816 10.392 0.896 1.00 0.00 C ATOM 451 O TYR A 31 -7.214 10.439 -0.267 1.00 0.00 O ATOM 452 CB TYR A 31 -6.687 8.060 1.777 1.00 0.00 C ATOM 453 CG TYR A 31 -5.331 8.057 2.461 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.220 8.121 3.848 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.161 7.989 1.715 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.985 8.121 4.466 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.923 7.989 2.327 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.840 8.055 3.702 1.00 0.00 C ATOM 459 OH TYR A 31 -1.609 8.055 4.315 1.00 0.00 O ATOM 0 H TYR A 31 -9.090 9.360 0.609 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.339 9.785 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.306 7.276 2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.553 7.811 0.724 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.115 8.171 4.450 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.221 7.935 0.638 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.917 8.172 5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.024 7.938 1.731 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.929 8.367 3.683 1.00 0.00 H new ATOM 469 N MET A 32 -5.836 11.164 1.363 1.00 0.00 N ATOM 470 CA MET A 32 -5.145 12.137 0.517 1.00 0.00 C ATOM 471 C MET A 32 -3.669 11.777 0.413 1.00 0.00 C ATOM 472 O MET A 32 -3.078 11.302 1.383 1.00 0.00 O ATOM 473 CB MET A 32 -5.312 13.550 1.076 1.00 0.00 C ATOM 474 CG MET A 32 -6.754 14.032 1.099 1.00 0.00 C ATOM 475 SD MET A 32 -7.459 14.240 -0.547 1.00 0.00 S ATOM 476 CE MET A 32 -9.112 14.796 -0.141 1.00 0.00 C ATOM 0 H MET A 32 -5.501 11.134 2.326 1.00 0.00 H new ATOM 0 HA MET A 32 -5.586 12.111 -0.479 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.912 13.580 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.717 14.240 0.478 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.360 13.320 1.659 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.805 14.982 1.632 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.674 14.968 -1.059 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.616 14.035 0.455 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.054 15.724 0.428 1.00 0.00 H new ATOM 486 N ALA A 33 -3.086 11.981 -0.773 1.00 0.00 N ATOM 487 CA ALA A 33 -1.678 11.654 -1.014 1.00 0.00 C ATOM 488 C ALA A 33 -0.734 12.826 -0.688 1.00 0.00 C ATOM 489 O ALA A 33 -0.678 13.799 -1.445 1.00 0.00 O ATOM 490 CB ALA A 33 -1.488 11.225 -2.460 1.00 0.00 C ATOM 0 H ALA A 33 -3.569 12.372 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.418 10.835 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.439 10.983 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.101 10.347 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.787 12.037 -3.123 1.00 0.00 H new ATOM 496 N PRO A 34 0.036 12.758 0.439 1.00 0.00 N ATOM 497 CA PRO A 34 0.973 13.817 0.826 1.00 0.00 C ATOM 498 C PRO A 34 2.282 13.750 0.031 1.00 0.00 C ATOM 499 O PRO A 34 2.762 14.767 -0.474 1.00 0.00 O ATOM 500 CB PRO A 34 1.246 13.543 2.315 1.00 0.00 C ATOM 501 CG PRO A 34 0.350 12.413 2.695 1.00 0.00 C ATOM 502 CD PRO A 34 0.071 11.669 1.428 1.00 0.00 C ATOM 0 HA PRO A 34 0.562 14.807 0.632 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.292 13.284 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.038 14.426 2.919 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.827 11.766 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.573 12.780 3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.848 10.938 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.873 11.127 1.472 1.00 0.00 H new ATOM 510 N ASP A 35 2.848 12.542 -0.066 1.00 0.00 N ATOM 511 CA ASP A 35 4.100 12.317 -0.787 1.00 0.00 C ATOM 512 C ASP A 35 3.824 12.006 -2.259 1.00 0.00 C ATOM 513 O ASP A 35 2.703 11.645 -2.630 1.00 0.00 O ATOM 514 CB ASP A 35 4.877 11.168 -0.130 1.00 0.00 C ATOM 515 CG ASP A 35 6.357 11.151 -0.479 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.702 10.788 -1.623 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.174 11.506 0.398 1.00 0.00 O ATOM 0 H ASP A 35 2.452 11.700 0.351 1.00 0.00 H new ATOM 0 HA ASP A 35 4.703 13.224 -0.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.769 11.241 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.431 10.220 -0.432 1.00 0.00 H new ATOM 522 N CYS A 36 4.862 12.154 -3.080 1.00 0.00 N ATOM 523 CA CYS A 36 4.786 11.907 -4.521 1.00 0.00 C ATOM 524 C CYS A 36 4.474 10.442 -4.843 1.00 0.00 C ATOM 525 O CYS A 36 3.835 10.149 -5.857 1.00 0.00 O ATOM 526 CB CYS A 36 6.116 12.316 -5.169 1.00 0.00 C ATOM 527 SG CYS A 36 6.258 11.926 -6.944 1.00 0.00 S ATOM 0 H CYS A 36 5.785 12.450 -2.764 1.00 0.00 H new ATOM 0 HA CYS A 36 3.968 12.504 -4.924 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.253 13.389 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.929 11.822 -4.637 1.00 0.00 H new ATOM 532 N ARG A 37 4.940 9.528 -3.989 1.00 0.00 N ATOM 533 CA ARG A 37 4.724 8.094 -4.205 1.00 0.00 C ATOM 534 C ARG A 37 3.408 7.593 -3.595 1.00 0.00 C ATOM 535 O ARG A 37 3.094 6.407 -3.707 1.00 0.00 O ATOM 536 CB ARG A 37 5.914 7.289 -3.657 1.00 0.00 C ATOM 537 CG ARG A 37 6.167 7.481 -2.168 1.00 0.00 C ATOM 538 CD ARG A 37 5.703 6.285 -1.348 1.00 0.00 C ATOM 539 NE ARG A 37 6.505 5.088 -1.607 1.00 0.00 N ATOM 540 CZ ARG A 37 6.340 3.921 -0.975 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.405 3.775 -0.039 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.114 2.890 -1.285 1.00 0.00 N ATOM 0 H ARG A 37 5.467 9.753 -3.145 1.00 0.00 H new ATOM 0 HA ARG A 37 4.648 7.941 -5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.742 6.230 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.812 7.571 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.232 7.644 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.649 8.377 -1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.755 6.532 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.658 6.075 -1.575 1.00 0.00 H new ATOM 0 HE ARG A 37 7.237 5.148 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.801 4.560 0.206 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.292 2.878 0.434 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.832 2.989 -2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.992 1.998 -0.805 1.00 0.00 H new ATOM 556 N PHE A 38 2.640 8.484 -2.960 1.00 0.00 N ATOM 557 CA PHE A 38 1.366 8.089 -2.351 1.00 0.00 C ATOM 558 C PHE A 38 0.211 8.213 -3.348 1.00 0.00 C ATOM 559 O PHE A 38 0.379 8.764 -4.439 1.00 0.00 O ATOM 560 CB PHE A 38 1.083 8.909 -1.085 1.00 0.00 C ATOM 561 CG PHE A 38 1.596 8.281 0.192 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.950 8.038 0.388 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.712 7.942 1.204 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.406 7.469 1.562 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.163 7.374 2.381 1.00 0.00 C ATOM 566 CZ PHE A 38 2.512 7.137 2.559 1.00 0.00 C ATOM 0 H PHE A 38 2.874 9.471 -2.855 1.00 0.00 H new ATOM 0 HA PHE A 38 1.449 7.041 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.533 9.895 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.007 9.058 -0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.656 8.297 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.344 8.124 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.461 7.284 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.461 7.116 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.866 6.692 3.477 1.00 0.00 H new ATOM 576 N LEU A 39 -0.952 7.668 -2.970 1.00 0.00 N ATOM 577 CA LEU A 39 -2.137 7.680 -3.832 1.00 0.00 C ATOM 578 C LEU A 39 -3.371 8.223 -3.098 1.00 0.00 C ATOM 579 O LEU A 39 -3.618 7.875 -1.940 1.00 0.00 O ATOM 580 CB LEU A 39 -2.400 6.248 -4.331 1.00 0.00 C ATOM 581 CG LEU A 39 -3.598 6.050 -5.273 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.373 6.749 -6.608 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.843 4.567 -5.494 1.00 0.00 C ATOM 0 H LEU A 39 -1.096 7.212 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.948 8.344 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.504 5.897 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.542 5.606 -3.461 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.476 6.495 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.238 6.590 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.236 7.817 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.484 6.340 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.694 4.434 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.957 4.114 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.054 4.087 -4.539 1.00 0.00 H new ATOM 595 N THR A 40 -4.147 9.065 -3.795 1.00 0.00 N ATOM 596 CA THR A 40 -5.368 9.650 -3.235 1.00 0.00 C ATOM 597 C THR A 40 -6.566 8.753 -3.560 1.00 0.00 C ATOM 598 O THR A 40 -6.770 8.374 -4.716 1.00 0.00 O ATOM 599 CB THR A 40 -5.584 11.069 -3.786 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.440 11.871 -3.560 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.764 11.798 -3.169 1.00 0.00 C ATOM 0 H THR A 40 -3.947 9.356 -4.752 1.00 0.00 H new ATOM 0 HA THR A 40 -5.266 9.721 -2.152 1.00 0.00 H new ATOM 0 HB THR A 40 -5.781 10.927 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.595 12.770 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.849 12.791 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.679 11.237 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.613 11.891 -2.094 1.00 0.00 H new ATOM 609 N ILE A 41 -7.332 8.399 -2.526 1.00 0.00 N ATOM 610 CA ILE A 41 -8.495 7.519 -2.676 1.00 0.00 C ATOM 611 C ILE A 41 -9.765 8.141 -2.073 1.00 0.00 C ATOM 612 O ILE A 41 -9.699 8.899 -1.112 1.00 0.00 O ATOM 613 CB ILE A 41 -8.189 6.132 -2.023 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.245 5.337 -2.933 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.456 5.321 -1.748 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.580 4.150 -2.262 1.00 0.00 C ATOM 0 H ILE A 41 -7.167 8.710 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.685 7.382 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.715 6.319 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.806 4.983 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.472 6.007 -3.308 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.186 4.367 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.103 5.876 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.983 5.141 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.930 3.645 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.988 4.496 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.343 3.455 -1.912 1.00 0.00 H new ATOM 628 N HIS A 42 -10.919 7.782 -2.645 1.00 0.00 N ATOM 629 CA HIS A 42 -12.216 8.258 -2.168 1.00 0.00 C ATOM 630 C HIS A 42 -13.047 7.067 -1.695 1.00 0.00 C ATOM 631 O HIS A 42 -12.879 5.953 -2.201 1.00 0.00 O ATOM 632 CB HIS A 42 -12.961 9.016 -3.272 1.00 0.00 C ATOM 633 CG HIS A 42 -12.277 10.274 -3.713 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.023 11.332 -2.864 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.796 10.644 -4.925 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.417 12.296 -3.535 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.267 11.904 -4.786 1.00 0.00 N ATOM 0 H HIS A 42 -10.978 7.156 -3.448 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.055 8.946 -1.338 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.081 8.358 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.962 9.263 -2.918 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.265 11.365 -1.874 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -11.824 10.057 -5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.098 13.244 -3.128 1.00 0.00 H new ATOM 646 N ARG A 43 -13.928 7.300 -0.717 1.00 0.00 N ATOM 647 CA ARG A 43 -14.774 6.236 -0.162 1.00 0.00 C ATOM 648 C ARG A 43 -15.704 5.644 -1.227 1.00 0.00 C ATOM 649 O ARG A 43 -16.563 6.343 -1.772 1.00 0.00 O ATOM 650 CB ARG A 43 -15.599 6.780 1.013 1.00 0.00 C ATOM 651 CG ARG A 43 -16.397 5.719 1.759 1.00 0.00 C ATOM 652 CD ARG A 43 -17.219 6.326 2.888 1.00 0.00 C ATOM 653 NE ARG A 43 -18.220 7.274 2.394 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.069 7.951 3.175 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.051 7.799 4.496 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.941 8.787 2.627 1.00 0.00 N ATOM 0 H ARG A 43 -14.075 8.216 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.120 5.439 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.928 7.275 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.286 7.539 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.059 5.204 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.717 4.970 2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.717 5.530 3.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.554 6.833 3.587 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.273 7.428 1.387 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.383 7.159 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.705 8.322 5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.962 8.911 1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.591 9.306 3.218 1.00 0.00 H new ATOM 670 N GLY A 44 -15.528 4.346 -1.500 1.00 0.00 N ATOM 671 CA GLY A 44 -16.363 3.668 -2.480 1.00 0.00 C ATOM 672 C GLY A 44 -15.656 3.360 -3.792 1.00 0.00 C ATOM 673 O GLY A 44 -16.254 2.743 -4.677 1.00 0.00 O ATOM 0 H GLY A 44 -14.822 3.756 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.727 2.736 -2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.237 4.286 -2.687 1.00 0.00 H new ATOM 677 N GLN A 45 -14.394 3.783 -3.932 1.00 0.00 N ATOM 678 CA GLN A 45 -13.644 3.531 -5.164 1.00 0.00 C ATOM 679 C GLN A 45 -13.024 2.138 -5.172 1.00 0.00 C ATOM 680 O GLN A 45 -12.578 1.637 -4.134 1.00 0.00 O ATOM 681 CB GLN A 45 -12.546 4.580 -5.380 1.00 0.00 C ATOM 682 CG GLN A 45 -13.082 5.982 -5.619 1.00 0.00 C ATOM 683 CD GLN A 45 -12.029 6.928 -6.166 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.987 7.146 -5.549 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.298 7.498 -7.336 1.00 0.00 N ATOM 0 H GLN A 45 -13.878 4.295 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.362 3.599 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.892 4.594 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.935 4.284 -6.232 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.918 5.933 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.472 6.382 -4.683 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.174 7.290 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.628 8.143 -7.755 1.00 0.00 H new ATOM 694 N VAL A 46 -12.986 1.532 -6.363 1.00 0.00 N ATOM 695 CA VAL A 46 -12.401 0.204 -6.542 1.00 0.00 C ATOM 696 C VAL A 46 -10.897 0.354 -6.709 1.00 0.00 C ATOM 697 O VAL A 46 -10.446 1.090 -7.585 1.00 0.00 O ATOM 698 CB VAL A 46 -12.960 -0.528 -7.791 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.630 -2.013 -7.738 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.460 -0.319 -7.945 1.00 0.00 C ATOM 0 H VAL A 46 -13.356 1.944 -7.220 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.655 -0.389 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.476 -0.094 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.031 -2.507 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.548 -2.145 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.074 -2.453 -6.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.812 -0.848 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.973 -0.705 -7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.670 0.745 -8.050 1.00 0.00 H new ATOM 710 N VAL A 47 -10.122 -0.324 -5.865 1.00 0.00 N ATOM 711 CA VAL A 47 -8.666 -0.231 -5.941 1.00 0.00 C ATOM 712 C VAL A 47 -8.027 -1.612 -6.081 1.00 0.00 C ATOM 713 O VAL A 47 -8.153 -2.463 -5.195 1.00 0.00 O ATOM 714 CB VAL A 47 -8.059 0.494 -4.710 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.611 0.874 -4.978 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.868 1.730 -4.332 1.00 0.00 C ATOM 0 H VAL A 47 -10.473 -0.937 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.445 0.359 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.095 -0.198 -3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.200 1.381 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.030 -0.026 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.563 1.539 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.413 2.212 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.881 2.427 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.889 1.436 -4.089 1.00 0.00 H new ATOM 726 N TYR A 48 -7.332 -1.810 -7.202 1.00 0.00 N ATOM 727 CA TYR A 48 -6.645 -3.068 -7.487 1.00 0.00 C ATOM 728 C TYR A 48 -5.253 -3.055 -6.859 1.00 0.00 C ATOM 729 O TYR A 48 -4.452 -2.157 -7.136 1.00 0.00 O ATOM 730 CB TYR A 48 -6.518 -3.290 -9.007 1.00 0.00 C ATOM 731 CG TYR A 48 -7.790 -3.718 -9.738 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.032 -3.131 -9.490 1.00 0.00 C ATOM 733 CD2 TYR A 48 -7.730 -4.717 -10.704 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.163 -3.530 -10.177 1.00 0.00 C ATOM 735 CE2 TYR A 48 -8.858 -5.116 -11.397 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.070 -4.521 -11.129 1.00 0.00 C ATOM 737 OH TYR A 48 -11.194 -4.917 -11.817 1.00 0.00 O ATOM 0 H TYR A 48 -7.230 -1.106 -7.934 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.232 -3.881 -7.061 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.159 -2.365 -9.459 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.753 -4.047 -9.179 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.111 -2.351 -8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.783 -5.191 -10.917 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.116 -3.067 -9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.788 -5.891 -12.146 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.956 -5.624 -12.453 1.00 0.00 H new ATOM 747 N VAL A 49 -4.972 -4.048 -6.014 1.00 0.00 N ATOM 748 CA VAL A 49 -3.674 -4.150 -5.344 1.00 0.00 C ATOM 749 C VAL A 49 -2.683 -4.919 -6.217 1.00 0.00 C ATOM 750 O VAL A 49 -2.939 -6.063 -6.593 1.00 0.00 O ATOM 751 CB VAL A 49 -3.800 -4.843 -3.964 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.473 -4.823 -3.213 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.893 -4.187 -3.130 1.00 0.00 C ATOM 0 H VAL A 49 -5.626 -4.794 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.306 -3.136 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.073 -5.884 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.593 -5.316 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.716 -5.347 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.159 -3.791 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.965 -4.689 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.651 -3.136 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.846 -4.267 -3.652 1.00 0.00 H new ATOM 763 N PHE A 50 -1.558 -4.276 -6.542 1.00 0.00 N ATOM 764 CA PHE A 50 -0.529 -4.893 -7.380 1.00 0.00 C ATOM 765 C PHE A 50 0.673 -5.366 -6.563 1.00 0.00 C ATOM 766 O PHE A 50 1.420 -6.237 -7.017 1.00 0.00 O ATOM 767 CB PHE A 50 -0.058 -3.920 -8.473 1.00 0.00 C ATOM 768 CG PHE A 50 -1.009 -3.779 -9.636 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.201 -3.078 -9.512 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.704 -4.357 -10.860 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.065 -2.955 -10.584 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.566 -4.237 -11.934 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.746 -3.536 -11.796 1.00 0.00 C ATOM 0 H PHE A 50 -1.338 -3.328 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.986 -5.767 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.097 -2.938 -8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.909 -4.256 -8.849 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.456 -2.623 -8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.218 -4.907 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.988 -2.405 -10.474 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.316 -4.692 -12.881 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.420 -3.441 -12.635 1.00 0.00 H new ATOM 783 N SER A 51 0.869 -4.793 -5.369 1.00 0.00 N ATOM 784 CA SER A 51 1.999 -5.177 -4.516 1.00 0.00 C ATOM 785 C SER A 51 1.735 -4.909 -3.038 1.00 0.00 C ATOM 786 O SER A 51 1.144 -3.891 -2.674 1.00 0.00 O ATOM 787 CB SER A 51 3.266 -4.428 -4.938 1.00 0.00 C ATOM 788 OG SER A 51 3.072 -3.025 -4.886 1.00 0.00 O ATOM 0 H SER A 51 0.267 -4.070 -4.975 1.00 0.00 H new ATOM 0 HA SER A 51 2.133 -6.251 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.092 -4.708 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.546 -4.722 -5.950 1.00 0.00 H new ATOM 0 HG SER A 51 3.896 -2.570 -5.158 1.00 0.00 H new ATOM 794 N LYS A 52 2.209 -5.831 -2.193 1.00 0.00 N ATOM 795 CA LYS A 52 2.069 -5.709 -0.738 1.00 0.00 C ATOM 796 C LYS A 52 3.459 -5.679 -0.103 1.00 0.00 C ATOM 797 O LYS A 52 4.191 -6.668 -0.159 1.00 0.00 O ATOM 798 CB LYS A 52 1.248 -6.872 -0.162 1.00 0.00 C ATOM 799 CG LYS A 52 -0.045 -7.148 -0.915 1.00 0.00 C ATOM 800 CD LYS A 52 -0.777 -8.354 -0.348 1.00 0.00 C ATOM 801 CE LYS A 52 -2.069 -8.627 -1.101 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.792 -9.807 -0.552 1.00 0.00 N ATOM 0 H LYS A 52 2.696 -6.675 -2.495 1.00 0.00 H new ATOM 0 HA LYS A 52 1.539 -4.784 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.860 -7.774 -0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.011 -6.655 0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.691 -6.272 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.176 -7.318 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.132 -9.231 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.998 -8.184 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.713 -7.749 -1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.847 -8.795 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.835 -10.555 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.289 -10.163 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.758 -9.529 -0.284 1.00 0.00 H new ATOM 816 N LEU A 53 3.830 -4.530 0.471 1.00 0.00 N ATOM 817 CA LEU A 53 5.153 -4.360 1.081 1.00 0.00 C ATOM 818 C LEU A 53 5.322 -5.206 2.344 1.00 0.00 C ATOM 819 O LEU A 53 4.350 -5.510 3.038 1.00 0.00 O ATOM 820 CB LEU A 53 5.407 -2.880 1.399 1.00 0.00 C ATOM 821 CG LEU A 53 5.205 -1.904 0.229 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.321 -0.467 0.716 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.201 -2.169 -0.898 1.00 0.00 C ATOM 0 H LEU A 53 3.233 -3.704 0.526 1.00 0.00 H new ATOM 0 HA LEU A 53 5.889 -4.707 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.746 -2.584 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.429 -2.776 1.763 1.00 0.00 H new ATOM 0 HG LEU A 53 4.203 -2.062 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.176 0.214 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.561 -0.277 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.310 -0.307 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.030 -1.461 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.217 -2.050 -0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.068 -3.185 -1.269 1.00 0.00 H new ATOM 835 N LYS A 54 6.577 -5.580 2.622 1.00 0.00 N ATOM 836 CA LYS A 54 6.915 -6.394 3.793 1.00 0.00 C ATOM 837 C LYS A 54 7.890 -5.651 4.709 1.00 0.00 C ATOM 838 O LYS A 54 8.293 -4.523 4.414 1.00 0.00 O ATOM 839 CB LYS A 54 7.533 -7.727 3.355 1.00 0.00 C ATOM 840 CG LYS A 54 6.594 -8.614 2.551 1.00 0.00 C ATOM 841 CD LYS A 54 7.288 -9.887 2.081 1.00 0.00 C ATOM 842 CE LYS A 54 7.493 -10.887 3.213 1.00 0.00 C ATOM 843 NZ LYS A 54 8.169 -12.128 2.743 1.00 0.00 N ATOM 0 H LYS A 54 7.380 -5.329 2.046 1.00 0.00 H new ATOM 0 HA LYS A 54 5.996 -6.589 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.423 -7.524 2.759 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.860 -8.272 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.729 -8.875 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.222 -8.062 1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.696 -10.351 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.254 -9.632 1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.088 -10.426 4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.528 -11.143 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.290 -12.782 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.589 -12.582 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.101 -11.888 2.349 1.00 0.00 H new ATOM 857 N GLY A 55 8.267 -6.300 5.818 1.00 0.00 N ATOM 858 CA GLY A 55 9.196 -5.702 6.767 1.00 0.00 C ATOM 859 C GLY A 55 8.524 -4.699 7.683 1.00 0.00 C ATOM 860 O GLY A 55 7.578 -5.040 8.396 1.00 0.00 O ATOM 0 H GLY A 55 7.942 -7.233 6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.653 -6.488 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.001 -5.209 6.221 1.00 0.00 H new ATOM 864 N ARG A 56 9.015 -3.457 7.655 1.00 0.00 N ATOM 865 CA ARG A 56 8.459 -2.385 8.482 1.00 0.00 C ATOM 866 C ARG A 56 7.148 -1.864 7.892 1.00 0.00 C ATOM 867 O ARG A 56 6.348 -1.238 8.591 1.00 0.00 O ATOM 868 CB ARG A 56 9.472 -1.241 8.641 1.00 0.00 C ATOM 869 CG ARG A 56 9.948 -0.649 7.323 1.00 0.00 C ATOM 870 CD ARG A 56 10.956 0.471 7.540 1.00 0.00 C ATOM 871 NE ARG A 56 10.379 1.602 8.270 1.00 0.00 N ATOM 872 CZ ARG A 56 11.049 2.713 8.592 1.00 0.00 C ATOM 873 NH1 ARG A 56 12.328 2.862 8.256 1.00 0.00 N ATOM 874 NH2 ARG A 56 10.434 3.682 9.256 1.00 0.00 N ATOM 0 H ARG A 56 9.798 -3.170 7.067 1.00 0.00 H new ATOM 0 HA ARG A 56 8.247 -2.796 9.469 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.021 -0.451 9.241 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.336 -1.608 9.196 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.400 -1.432 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.093 -0.266 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.813 0.084 8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.327 0.815 6.575 1.00 0.00 H new ATOM 0 HE ARG A 56 9.401 1.538 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.811 2.123 7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.826 3.716 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.454 3.578 9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.941 4.532 9.504 1.00 0.00 H new ATOM 888 N GLY A 57 6.937 -2.144 6.602 1.00 0.00 N ATOM 889 CA GLY A 57 5.725 -1.718 5.924 1.00 0.00 C ATOM 890 C GLY A 57 4.766 -2.870 5.701 1.00 0.00 C ATOM 891 O GLY A 57 4.243 -3.044 4.598 1.00 0.00 O ATOM 0 H GLY A 57 7.591 -2.662 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.232 -0.945 6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.984 -1.271 4.964 1.00 0.00 H new ATOM 895 N ARG A 58 4.545 -3.656 6.758 1.00 0.00 N ATOM 896 CA ARG A 58 3.651 -4.816 6.709 1.00 0.00 C ATOM 897 C ARG A 58 2.197 -4.385 6.492 1.00 0.00 C ATOM 898 O ARG A 58 1.393 -5.140 5.938 1.00 0.00 O ATOM 899 CB ARG A 58 3.780 -5.622 8.015 1.00 0.00 C ATOM 900 CG ARG A 58 3.033 -6.948 8.028 1.00 0.00 C ATOM 901 CD ARG A 58 3.686 -7.991 7.127 1.00 0.00 C ATOM 902 NE ARG A 58 5.038 -8.335 7.571 1.00 0.00 N ATOM 903 CZ ARG A 58 5.818 -9.243 6.977 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.392 -9.917 5.912 1.00 0.00 N ATOM 905 NH2 ARG A 58 7.032 -9.480 7.454 1.00 0.00 N ATOM 0 H ARG A 58 4.979 -3.507 7.669 1.00 0.00 H new ATOM 0 HA ARG A 58 3.942 -5.442 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.836 -5.815 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.417 -5.009 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.991 -7.328 9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.004 -6.786 7.706 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.071 -8.891 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.726 -7.613 6.105 1.00 0.00 H new ATOM 0 HE ARG A 58 5.409 -7.850 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.459 -9.744 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.999 -10.607 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.367 -8.970 8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.631 -10.172 7.004 1.00 0.00 H new ATOM 919 N LEU A 59 1.875 -3.166 6.926 1.00 0.00 N ATOM 920 CA LEU A 59 0.524 -2.626 6.780 1.00 0.00 C ATOM 921 C LEU A 59 0.459 -1.607 5.639 1.00 0.00 C ATOM 922 O LEU A 59 -0.473 -0.801 5.565 1.00 0.00 O ATOM 923 CB LEU A 59 0.032 -1.998 8.101 1.00 0.00 C ATOM 924 CG LEU A 59 0.860 -0.824 8.655 1.00 0.00 C ATOM 925 CD1 LEU A 59 -0.022 0.094 9.488 1.00 0.00 C ATOM 926 CD2 LEU A 59 2.026 -1.326 9.499 1.00 0.00 C ATOM 0 H LEU A 59 2.533 -2.534 7.382 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.139 -3.455 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.992 -1.654 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.000 -2.780 8.859 1.00 0.00 H new ATOM 0 HG LEU A 59 1.262 -0.267 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.575 0.920 9.874 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.827 0.487 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.447 -0.467 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.594 -0.476 9.877 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.644 -1.909 10.337 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.675 -1.952 8.887 1.00 0.00 H new ATOM 938 N PHE A 60 1.453 -1.655 4.746 1.00 0.00 N ATOM 939 CA PHE A 60 1.512 -0.744 3.604 1.00 0.00 C ATOM 940 C PHE A 60 1.372 -1.502 2.285 1.00 0.00 C ATOM 941 O PHE A 60 2.205 -2.348 1.943 1.00 0.00 O ATOM 942 CB PHE A 60 2.818 0.066 3.610 1.00 0.00 C ATOM 943 CG PHE A 60 2.856 1.186 4.623 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.018 0.927 5.978 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.730 2.504 4.212 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.052 1.958 6.897 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.763 3.539 5.127 1.00 0.00 C ATOM 948 CZ PHE A 60 2.924 3.266 6.471 1.00 0.00 C ATOM 0 H PHE A 60 2.228 -2.317 4.794 1.00 0.00 H new ATOM 0 HA PHE A 60 0.674 -0.053 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.650 -0.611 3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.975 0.486 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.119 -0.093 6.317 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.604 2.725 3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.179 1.742 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.663 4.561 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.950 4.073 7.188 1.00 0.00 H new ATOM 958 N TRP A 61 0.308 -1.181 1.549 1.00 0.00 N ATOM 959 CA TRP A 61 0.028 -1.806 0.258 1.00 0.00 C ATOM 960 C TRP A 61 0.225 -0.800 -0.875 1.00 0.00 C ATOM 961 O TRP A 61 0.557 0.362 -0.627 1.00 0.00 O ATOM 962 CB TRP A 61 -1.406 -2.371 0.241 1.00 0.00 C ATOM 963 CG TRP A 61 -1.581 -3.697 0.957 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.632 -4.413 1.641 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.798 -4.457 1.067 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.175 -5.568 2.142 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.502 -5.615 1.814 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.109 -4.273 0.607 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.462 -6.580 2.107 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.061 -5.234 0.901 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.732 -6.373 1.645 1.00 0.00 C ATOM 0 H TRP A 61 -0.381 -0.483 1.830 1.00 0.00 H new ATOM 0 HA TRP A 61 0.726 -2.630 0.108 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.074 -1.639 0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.721 -2.491 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.397 -4.110 1.767 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.671 -6.278 2.674 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.372 -3.397 0.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.212 -7.461 2.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.074 -5.103 0.551 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.498 -7.104 1.859 1.00 0.00 H new ATOM 982 N GLY A 62 0.027 -1.254 -2.115 1.00 0.00 N ATOM 983 CA GLY A 62 0.193 -0.381 -3.266 1.00 0.00 C ATOM 984 C GLY A 62 -0.524 -0.904 -4.493 1.00 0.00 C ATOM 985 O GLY A 62 -0.644 -2.116 -4.675 1.00 0.00 O ATOM 0 H GLY A 62 -0.245 -2.211 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.185 0.612 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.255 -0.273 -3.487 1.00 0.00 H new ATOM 989 N GLY A 63 -1.002 0.018 -5.332 1.00 0.00 N ATOM 990 CA GLY A 63 -1.710 -0.358 -6.545 1.00 0.00 C ATOM 991 C GLY A 63 -2.253 0.843 -7.297 1.00 0.00 C ATOM 992 O GLY A 63 -1.717 1.948 -7.180 1.00 0.00 O ATOM 0 H GLY A 63 -0.909 1.024 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.037 -0.917 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.533 -1.025 -6.289 1.00 0.00 H new ATOM 996 N SER A 64 -3.320 0.622 -8.068 1.00 0.00 N ATOM 997 CA SER A 64 -3.947 1.689 -8.850 1.00 0.00 C ATOM 998 C SER A 64 -5.462 1.679 -8.658 1.00 0.00 C ATOM 999 O SER A 64 -6.045 0.637 -8.355 1.00 0.00 O ATOM 1000 CB SER A 64 -3.603 1.534 -10.333 1.00 0.00 C ATOM 1001 OG SER A 64 -4.090 0.307 -10.846 1.00 0.00 O ATOM 0 H SER A 64 -3.769 -0.289 -8.167 1.00 0.00 H new ATOM 0 HA SER A 64 -3.560 2.645 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.031 2.363 -10.897 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.522 1.583 -10.465 1.00 0.00 H new ATOM 0 HG SER A 64 -3.531 -0.429 -10.520 1.00 0.00 H new ATOM 1007 N VAL A 65 -6.090 2.844 -8.831 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.540 2.970 -8.669 1.00 0.00 C ATOM 1009 C VAL A 65 -8.268 2.833 -10.003 1.00 0.00 C ATOM 1010 O VAL A 65 -8.036 3.607 -10.935 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.930 4.325 -8.017 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -9.449 4.480 -7.919 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.297 4.459 -6.643 1.00 0.00 C ATOM 0 H VAL A 65 -5.618 3.712 -9.083 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.846 2.158 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.551 5.121 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.688 5.439 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.884 4.439 -8.918 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.859 3.673 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.582 5.415 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.642 3.647 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.212 4.412 -6.736 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.176 1.862 -10.062 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.984 1.630 -11.247 1.00 0.00 C ATOM 1025 C GLN A 66 -11.413 2.117 -10.982 1.00 0.00 C ATOM 1026 O GLN A 66 -12.330 1.327 -10.725 1.00 0.00 O ATOM 1027 CB GLN A 66 -9.966 0.147 -11.643 1.00 0.00 C ATOM 1028 CG GLN A 66 -10.710 -0.139 -12.939 1.00 0.00 C ATOM 1029 CD GLN A 66 -10.659 -1.598 -13.343 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -9.586 -2.161 -13.561 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.829 -2.218 -13.452 1.00 0.00 N ATOM 0 H GLN A 66 -9.368 1.220 -9.293 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.567 2.190 -12.084 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.932 -0.182 -11.746 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.410 -0.442 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.751 0.165 -12.828 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.284 0.468 -13.738 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.694 -1.712 -13.262 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.862 -3.200 -13.726 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.579 3.436 -11.033 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.874 4.043 -10.795 1.00 0.00 C ATOM 1042 C GLY A 67 -13.213 5.078 -11.843 1.00 0.00 C ATOM 1043 O GLY A 67 -13.249 6.275 -11.545 1.00 0.00 O ATOM 0 H GLY A 67 -10.831 4.099 -11.237 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.642 3.269 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.881 4.509 -9.809 1.00 0.00 H new ATOM 1047 N ASP A 68 -13.452 4.599 -13.075 1.00 0.00 N ATOM 1048 CA ASP A 68 -13.792 5.455 -14.222 1.00 0.00 C ATOM 1049 C ASP A 68 -12.651 6.421 -14.568 1.00 0.00 C ATOM 1050 O ASP A 68 -12.726 7.622 -14.292 1.00 0.00 O ATOM 1051 CB ASP A 68 -15.095 6.228 -13.963 1.00 0.00 C ATOM 1052 CG ASP A 68 -16.296 5.312 -13.818 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -16.612 4.586 -14.785 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -16.923 5.320 -12.738 1.00 0.00 O ATOM 0 H ASP A 68 -13.415 3.606 -13.303 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.943 4.801 -15.081 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.986 6.824 -13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.270 6.924 -14.784 1.00 0.00 H new ATOM 1059 N TYR A 69 -11.597 5.876 -15.185 1.00 0.00 N ATOM 1060 CA TYR A 69 -10.434 6.667 -15.590 1.00 0.00 C ATOM 1061 C TYR A 69 -10.227 6.574 -17.100 1.00 0.00 C ATOM 1062 O TYR A 69 -9.718 5.571 -17.610 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.164 6.207 -14.853 1.00 0.00 C ATOM 1064 CG TYR A 69 -9.066 6.680 -13.412 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.863 6.133 -12.413 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -8.162 7.670 -13.053 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -9.765 6.561 -11.103 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.056 8.103 -11.744 1.00 0.00 C ATOM 1069 CZ TYR A 69 -8.860 7.547 -10.775 1.00 0.00 C ATOM 1070 OH TYR A 69 -8.758 7.976 -9.471 1.00 0.00 O ATOM 0 H TYR A 69 -11.527 4.885 -15.415 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.626 7.706 -15.321 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.125 5.118 -14.868 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.292 6.565 -15.400 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.572 5.359 -12.666 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.530 8.110 -13.810 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.394 6.125 -10.341 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.346 8.874 -11.483 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.073 8.674 -9.409 1.00 0.00 H new ATOM 1080 N TYR A 70 -10.637 7.628 -17.807 1.00 0.00 N ATOM 1081 CA TYR A 70 -10.513 7.682 -19.264 1.00 0.00 C ATOM 1082 C TYR A 70 -9.338 8.562 -19.700 1.00 0.00 C ATOM 1083 O TYR A 70 -9.024 8.641 -20.892 1.00 0.00 O ATOM 1084 CB TYR A 70 -11.832 8.165 -19.906 1.00 0.00 C ATOM 1085 CG TYR A 70 -12.455 9.401 -19.268 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -11.920 10.674 -19.459 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -13.598 9.288 -18.483 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -12.500 11.788 -18.884 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -14.185 10.399 -17.908 1.00 0.00 C ATOM 1090 CZ TYR A 70 -13.631 11.645 -18.110 1.00 0.00 C ATOM 1091 OH TYR A 70 -14.213 12.754 -17.538 1.00 0.00 O ATOM 0 H TYR A 70 -11.059 8.459 -17.392 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.309 6.670 -19.615 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.648 8.374 -20.960 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.556 7.351 -19.864 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.036 10.791 -20.068 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.035 8.314 -18.320 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.069 12.766 -19.040 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.073 10.292 -17.303 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.002 12.481 -17.025 1.00 0.00 H new ATOM 1101 N GLY A 71 -8.693 9.214 -18.729 1.00 0.00 N ATOM 1102 CA GLY A 71 -7.561 10.075 -19.027 1.00 0.00 C ATOM 1103 C GLY A 71 -6.234 9.378 -18.810 1.00 0.00 C ATOM 1104 O GLY A 71 -5.935 8.380 -19.472 1.00 0.00 O ATOM 0 H GLY A 71 -8.937 9.159 -17.740 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.627 10.412 -20.061 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.609 10.964 -18.398 1.00 0.00 H new ATOM 1108 N ASP A 72 -5.440 9.906 -17.876 1.00 0.00 N ATOM 1109 CA ASP A 72 -4.130 9.340 -17.556 1.00 0.00 C ATOM 1110 C ASP A 72 -3.751 9.662 -16.109 1.00 0.00 C ATOM 1111 O ASP A 72 -3.311 10.775 -15.805 1.00 0.00 O ATOM 1112 CB ASP A 72 -3.065 9.878 -18.527 1.00 0.00 C ATOM 1113 CG ASP A 72 -1.731 9.155 -18.415 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -1.073 9.266 -17.359 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -1.346 8.475 -19.390 1.00 0.00 O ATOM 0 H ASP A 72 -5.684 10.729 -17.326 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.181 8.257 -17.665 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.435 9.788 -19.548 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.912 10.940 -18.336 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.928 8.678 -15.225 1.00 0.00 N ATOM 1121 CA LEU A 73 -3.610 8.841 -13.807 1.00 0.00 C ATOM 1122 C LEU A 73 -3.209 7.493 -13.203 1.00 0.00 C ATOM 1123 O LEU A 73 -2.171 7.388 -12.546 1.00 0.00 O ATOM 1124 CB LEU A 73 -4.823 9.448 -13.059 1.00 0.00 C ATOM 1125 CG LEU A 73 -4.559 10.144 -11.696 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -4.274 9.135 -10.589 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -3.435 11.171 -11.799 1.00 0.00 C ATOM 0 H LEU A 73 -4.291 7.757 -15.469 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.768 9.525 -13.702 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.295 10.175 -13.720 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.547 8.651 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.473 10.674 -11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.095 9.663 -9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.130 8.471 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.393 8.549 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.278 11.638 -10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.517 10.675 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.705 11.934 -12.528 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.038 6.469 -13.435 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.771 5.126 -12.918 1.00 0.00 C ATOM 1141 C ALA A 74 -2.813 4.365 -13.838 1.00 0.00 C ATOM 1142 O ALA A 74 -3.225 3.473 -14.589 1.00 0.00 O ATOM 1143 CB ALA A 74 -5.077 4.358 -12.735 1.00 0.00 C ATOM 0 H ALA A 74 -4.898 6.547 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.290 5.223 -11.945 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.862 3.361 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.716 4.889 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.587 4.274 -13.695 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.528 4.733 -13.776 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.496 4.102 -14.598 1.00 0.00 C ATOM 1151 C ALA A 75 0.881 4.216 -13.951 1.00 0.00 C ATOM 1152 O ALA A 75 1.734 3.344 -14.135 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.471 4.723 -15.988 1.00 0.00 C ATOM 0 H ALA A 75 -1.180 5.468 -13.161 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.743 3.044 -14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.302 4.242 -16.587 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.440 4.583 -16.467 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.257 5.789 -15.907 1.00 0.00 H new ATOM 1159 N ARG A 76 1.095 5.301 -13.200 1.00 0.00 N ATOM 1160 CA ARG A 76 2.378 5.535 -12.530 1.00 0.00 C ATOM 1161 C ARG A 76 2.463 4.804 -11.191 1.00 0.00 C ATOM 1162 O ARG A 76 3.538 4.732 -10.588 1.00 0.00 O ATOM 1163 CB ARG A 76 2.641 7.047 -12.365 1.00 0.00 C ATOM 1164 CG ARG A 76 1.541 7.826 -11.641 1.00 0.00 C ATOM 1165 CD ARG A 76 1.776 7.892 -10.135 1.00 0.00 C ATOM 1166 NE ARG A 76 0.743 8.668 -9.436 1.00 0.00 N ATOM 1167 CZ ARG A 76 -0.520 8.264 -9.247 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -0.931 7.069 -9.665 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -1.375 9.060 -8.620 1.00 0.00 N ATOM 0 H ARG A 76 0.399 6.029 -13.041 1.00 0.00 H new ATOM 0 HA ARG A 76 3.162 5.123 -13.165 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.576 7.179 -11.820 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.783 7.484 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.490 8.838 -12.043 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.577 7.356 -11.836 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.801 6.880 -9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.752 8.337 -9.942 1.00 0.00 H new ATOM 0 HE ARG A 76 1.007 9.582 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.280 6.443 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.897 6.780 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.070 9.974 -8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.338 8.759 -8.473 1.00 0.00 H new ATOM 1183 N LEU A 77 1.319 4.258 -10.759 1.00 0.00 N ATOM 1184 CA LEU A 77 1.185 3.495 -9.501 1.00 0.00 C ATOM 1185 C LEU A 77 1.455 4.334 -8.246 1.00 0.00 C ATOM 1186 O LEU A 77 2.372 5.156 -8.203 1.00 0.00 O ATOM 1187 CB LEU A 77 2.089 2.251 -9.508 1.00 0.00 C ATOM 1188 CG LEU A 77 1.607 1.100 -10.399 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.732 0.107 -10.642 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.415 0.397 -9.763 1.00 0.00 C ATOM 0 H LEU A 77 0.444 4.332 -11.278 1.00 0.00 H new ATOM 0 HA LEU A 77 0.141 3.184 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.086 2.548 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.183 1.884 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 77 1.296 1.516 -11.357 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.372 -0.703 -11.276 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.563 0.612 -11.135 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.069 -0.301 -9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.086 -0.417 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.705 -0.004 -8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.400 1.109 -9.633 1.00 0.00 H new ATOM 1202 N GLY A 78 0.638 4.093 -7.218 1.00 0.00 N ATOM 1203 CA GLY A 78 0.773 4.799 -5.954 1.00 0.00 C ATOM 1204 C GLY A 78 0.731 3.852 -4.770 1.00 0.00 C ATOM 1205 O GLY A 78 0.480 2.657 -4.940 1.00 0.00 O ATOM 0 H GLY A 78 -0.122 3.413 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.713 5.350 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.028 5.533 -5.861 1.00 0.00 H new ATOM 1209 N TYR A 79 0.983 4.382 -3.571 1.00 0.00 N ATOM 1210 CA TYR A 79 0.975 3.571 -2.352 1.00 0.00 C ATOM 1211 C TYR A 79 -0.040 4.106 -1.346 1.00 0.00 C ATOM 1212 O TYR A 79 -0.235 5.317 -1.228 1.00 0.00 O ATOM 1213 CB TYR A 79 2.382 3.503 -1.735 1.00 0.00 C ATOM 1214 CG TYR A 79 3.368 2.695 -2.562 1.00 0.00 C ATOM 1215 CD1 TYR A 79 4.071 3.274 -3.615 1.00 0.00 C ATOM 1216 CD2 TYR A 79 3.587 1.349 -2.295 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.959 2.537 -4.373 1.00 0.00 C ATOM 1218 CE2 TYR A 79 4.476 0.606 -3.049 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.160 1.205 -4.086 1.00 0.00 C ATOM 1220 OH TYR A 79 6.045 0.467 -4.839 1.00 0.00 O ATOM 0 H TYR A 79 1.195 5.368 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 79 0.675 2.558 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.766 4.516 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.312 3.067 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.919 4.319 -3.843 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.053 0.875 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.494 3.003 -5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.634 -0.439 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 79 6.070 -0.454 -4.505 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.704 3.181 -0.648 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.736 3.526 0.332 1.00 0.00 C ATOM 1232 C PHE A 80 -1.751 2.521 1.502 1.00 0.00 C ATOM 1233 O PHE A 80 -1.339 1.374 1.323 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.114 3.557 -0.372 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.470 2.284 -1.114 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.112 1.235 -0.466 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.147 2.136 -2.455 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.421 0.070 -1.142 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.456 0.972 -3.132 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.093 -0.061 -2.474 1.00 0.00 C ATOM 0 H PHE A 80 -0.543 2.179 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.514 4.509 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.884 3.755 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.130 4.389 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.372 1.332 0.578 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.648 2.940 -2.976 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.919 -0.738 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.199 0.870 -4.176 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.334 -0.971 -3.003 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.237 2.919 2.716 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.299 2.013 3.870 1.00 0.00 C ATOM 1252 C PRO A 81 -3.432 1.000 3.725 1.00 0.00 C ATOM 1253 O PRO A 81 -4.531 1.348 3.294 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.567 2.942 5.067 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.465 4.337 4.537 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.765 4.249 3.071 1.00 0.00 C ATOM 0 HA PRO A 81 -1.384 1.430 3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.554 2.757 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.841 2.773 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.171 4.997 5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.469 4.746 4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.833 4.328 2.870 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.275 5.044 2.508 1.00 0.00 H new ATOM 1264 N SER A 82 -3.156 -0.254 4.083 1.00 0.00 N ATOM 1265 CA SER A 82 -4.149 -1.330 3.988 1.00 0.00 C ATOM 1266 C SER A 82 -5.345 -1.087 4.917 1.00 0.00 C ATOM 1267 O SER A 82 -6.406 -1.689 4.740 1.00 0.00 O ATOM 1268 CB SER A 82 -3.492 -2.673 4.324 1.00 0.00 C ATOM 1269 OG SER A 82 -3.012 -2.687 5.658 1.00 0.00 O ATOM 0 H SER A 82 -2.250 -0.553 4.443 1.00 0.00 H new ATOM 0 HA SER A 82 -4.524 -1.348 2.965 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.213 -3.479 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.668 -2.860 3.636 1.00 0.00 H new ATOM 0 HG SER A 82 -2.214 -2.122 5.724 1.00 0.00 H new ATOM 1275 N SER A 83 -5.156 -0.206 5.904 1.00 0.00 N ATOM 1276 CA SER A 83 -6.198 0.123 6.878 1.00 0.00 C ATOM 1277 C SER A 83 -7.408 0.826 6.249 1.00 0.00 C ATOM 1278 O SER A 83 -8.503 0.786 6.817 1.00 0.00 O ATOM 1279 CB SER A 83 -5.611 1.000 7.987 1.00 0.00 C ATOM 1280 OG SER A 83 -6.583 1.304 8.973 1.00 0.00 O ATOM 0 H SER A 83 -4.280 0.296 6.049 1.00 0.00 H new ATOM 0 HA SER A 83 -6.557 -0.821 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.768 0.488 8.450 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.225 1.924 7.557 1.00 0.00 H new ATOM 0 HG SER A 83 -6.179 1.864 9.669 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.221 1.475 5.092 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.332 2.182 4.438 1.00 0.00 C ATOM 1288 C ILE A 84 -9.068 1.308 3.422 1.00 0.00 C ATOM 1289 O ILE A 84 -10.085 1.732 2.869 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.885 3.487 3.742 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.896 3.204 2.610 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.285 4.447 4.761 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.765 4.345 1.633 1.00 0.00 C ATOM 0 H ILE A 84 -6.330 1.526 4.597 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.015 2.434 5.250 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.764 3.954 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.917 2.987 3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.215 2.310 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.974 5.363 4.259 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.030 4.685 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.421 3.981 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.048 4.078 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.735 4.548 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.417 5.235 2.157 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.555 0.101 3.166 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.187 -0.798 2.197 1.00 0.00 C ATOM 1307 C VAL A 85 -9.460 -2.179 2.784 1.00 0.00 C ATOM 1308 O VAL A 85 -8.903 -2.550 3.819 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.333 -0.952 0.911 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.282 0.356 0.135 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.924 -1.433 1.243 1.00 0.00 C ATOM 0 H VAL A 85 -7.716 -0.272 3.609 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.139 -0.334 1.939 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.809 -1.705 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.678 0.223 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.292 0.651 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.839 1.132 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.347 -1.532 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.438 -0.711 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.978 -2.400 1.743 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.323 -2.933 2.102 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.683 -4.280 2.532 1.00 0.00 C ATOM 1323 C ARG A 86 -10.922 -5.179 1.318 1.00 0.00 C ATOM 1324 O ARG A 86 -11.889 -4.984 0.573 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.933 -4.233 3.423 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.325 -5.582 4.014 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.565 -5.469 4.884 1.00 0.00 C ATOM 1328 NE ARG A 86 -13.953 -6.758 5.457 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.007 -6.940 6.259 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.795 -5.922 6.595 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.275 -8.152 6.727 1.00 0.00 N ATOM 0 H ARG A 86 -10.786 -2.630 1.246 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.859 -4.697 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.760 -3.528 4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.769 -3.847 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.508 -6.294 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.498 -5.975 4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.380 -4.756 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.389 -5.073 4.290 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.382 -7.572 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.599 -4.986 6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.595 -6.077 7.208 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -14.678 -8.940 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.078 -8.296 7.339 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.037 -6.161 1.128 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.157 -7.093 0.006 1.00 0.00 C ATOM 1347 C GLU A 87 -11.131 -8.216 0.333 1.00 0.00 C ATOM 1348 O GLU A 87 -11.118 -8.766 1.436 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.798 -7.666 -0.409 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.989 -8.196 0.748 1.00 0.00 C ATOM 1351 CD GLU A 87 -7.167 -9.421 0.391 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.767 -10.449 0.012 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.924 -9.351 0.491 1.00 0.00 O ATOM 0 H GLU A 87 -9.234 -6.330 1.734 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.549 -6.528 -0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.956 -8.469 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.225 -6.890 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.323 -7.411 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.661 -8.444 1.570 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.982 -8.538 -0.638 1.00 0.00 N ATOM 1361 CA ASP A 88 -12.980 -9.587 -0.472 1.00 0.00 C ATOM 1362 C ASP A 88 -12.906 -10.609 -1.599 1.00 0.00 C ATOM 1363 O ASP A 88 -13.386 -11.735 -1.450 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.385 -8.979 -0.418 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.578 -8.054 0.769 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.458 -8.529 1.919 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.850 -6.855 0.549 1.00 0.00 O ATOM 0 H ASP A 88 -11.999 -8.084 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.769 -10.098 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.573 -8.426 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.122 -9.781 -0.372 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.316 -10.212 -2.733 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.208 -11.116 -3.882 1.00 0.00 C ATOM 1374 C GLN A 89 -10.800 -11.100 -4.485 1.00 0.00 C ATOM 1375 O GLN A 89 -10.347 -10.078 -4.997 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.264 -10.735 -4.929 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.462 -11.764 -6.034 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.703 -11.425 -7.302 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -12.922 -10.376 -7.907 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -11.811 -12.316 -7.713 1.00 0.00 N ATOM 0 H GLN A 89 -11.913 -9.286 -2.878 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.392 -12.135 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.217 -10.576 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.981 -9.785 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.140 -12.741 -5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.525 -11.843 -6.263 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.662 -13.172 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.273 -12.145 -8.563 1.00 0.00 H new ATOM 1389 N THR A 90 -10.125 -12.255 -4.420 1.00 0.00 N ATOM 1390 CA THR A 90 -8.766 -12.405 -4.958 1.00 0.00 C ATOM 1391 C THR A 90 -8.821 -12.711 -6.455 1.00 0.00 C ATOM 1392 O THR A 90 -9.511 -13.636 -6.883 1.00 0.00 O ATOM 1393 CB THR A 90 -8.018 -13.518 -4.212 1.00 0.00 C ATOM 1394 OG1 THR A 90 -8.127 -13.339 -2.810 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.541 -13.594 -4.540 1.00 0.00 C ATOM 0 H THR A 90 -10.500 -13.104 -3.998 1.00 0.00 H new ATOM 0 HA THR A 90 -8.227 -11.468 -4.814 1.00 0.00 H new ATOM 0 HB THR A 90 -8.492 -14.442 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.646 -14.058 -2.350 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.084 -14.405 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.414 -13.780 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.061 -12.652 -4.277 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.099 -11.910 -7.238 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.069 -12.054 -8.694 1.00 0.00 C ATOM 1405 C LEU A 91 -6.984 -13.030 -9.153 1.00 0.00 C ATOM 1406 O LEU A 91 -7.206 -13.820 -10.073 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.818 -10.684 -9.342 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.730 -9.545 -8.861 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.132 -8.197 -9.222 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.129 -9.680 -9.440 1.00 0.00 C ATOM 0 H LEU A 91 -7.522 -11.147 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.035 -12.453 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.782 -10.399 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.933 -10.786 -10.421 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.808 -9.612 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.791 -7.402 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.156 -8.093 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.019 -8.127 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.752 -8.860 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.077 -9.648 -10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.563 -10.629 -9.125 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.811 -12.955 -8.521 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.682 -13.821 -8.883 1.00 0.00 C ATOM 1424 C LYS A 92 -3.771 -14.090 -7.667 1.00 0.00 C ATOM 1425 O LYS A 92 -3.425 -13.150 -6.951 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.875 -13.161 -10.016 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.796 -14.056 -10.627 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.118 -14.454 -12.066 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.253 -15.468 -12.153 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.555 -15.844 -13.563 1.00 0.00 N ATOM 0 H LYS A 92 -5.616 -12.306 -7.758 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.074 -14.780 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.563 -12.852 -10.803 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.404 -12.256 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.839 -13.535 -10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.686 -14.955 -10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.387 -13.563 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.226 -14.872 -12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.986 -16.361 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.147 -15.053 -11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.332 -16.535 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.835 -14.996 -14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.709 -16.264 -13.999 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.373 -15.379 -7.407 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.503 -15.743 -6.268 1.00 0.00 C ATOM 1446 C PRO A 93 -1.255 -14.871 -6.138 1.00 0.00 C ATOM 1447 O PRO A 93 -0.480 -14.734 -7.089 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.081 -17.175 -6.595 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.218 -17.729 -7.370 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.750 -16.586 -8.190 1.00 0.00 C ATOM 0 HA PRO A 93 -3.033 -15.617 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.158 -17.194 -7.175 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.900 -17.752 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.893 -18.550 -8.009 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.987 -18.126 -6.707 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.309 -16.570 -9.187 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.830 -16.656 -8.321 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.065 -14.306 -4.946 1.00 0.00 N ATOM 1459 CA GLY A 94 0.095 -13.471 -4.683 1.00 0.00 C ATOM 1460 C GLY A 94 1.107 -14.194 -3.826 1.00 0.00 C ATOM 1461 O GLY A 94 1.187 -13.966 -2.616 1.00 0.00 O ATOM 0 H GLY A 94 -1.699 -14.413 -4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.557 -13.178 -5.626 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.219 -12.554 -4.184 1.00 0.00 H new ATOM 1465 N LYS A 95 1.861 -15.081 -4.460 1.00 0.00 N ATOM 1466 CA LYS A 95 2.870 -15.881 -3.769 1.00 0.00 C ATOM 1467 C LYS A 95 4.276 -15.670 -4.346 1.00 0.00 C ATOM 1468 O LYS A 95 5.155 -16.523 -4.183 1.00 0.00 O ATOM 1469 CB LYS A 95 2.483 -17.366 -3.804 1.00 0.00 C ATOM 1470 CG LYS A 95 1.926 -17.824 -5.145 1.00 0.00 C ATOM 1471 CD LYS A 95 1.733 -19.337 -5.208 1.00 0.00 C ATOM 1472 CE LYS A 95 3.060 -20.087 -5.296 1.00 0.00 C ATOM 1473 NZ LYS A 95 3.817 -19.742 -6.531 1.00 0.00 N ATOM 0 H LYS A 95 1.794 -15.268 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 95 2.901 -15.545 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.360 -17.966 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.741 -17.557 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.971 -17.331 -5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.602 -17.513 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.189 -19.669 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.119 -19.587 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.667 -19.853 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.871 -21.160 -5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.549 -20.461 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.165 -19.713 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.266 -18.811 -6.414 1.00 0.00 H new ATOM 1487 N VAL A 96 4.490 -14.526 -5.005 1.00 0.00 N ATOM 1488 CA VAL A 96 5.796 -14.204 -5.589 1.00 0.00 C ATOM 1489 C VAL A 96 6.416 -13.004 -4.866 1.00 0.00 C ATOM 1490 O VAL A 96 5.725 -12.028 -4.572 1.00 0.00 O ATOM 1491 CB VAL A 96 5.684 -13.912 -7.109 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.054 -13.651 -7.731 1.00 0.00 C ATOM 1493 CG2 VAL A 96 4.994 -15.064 -7.826 1.00 0.00 C ATOM 0 H VAL A 96 3.778 -13.810 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 96 6.441 -15.073 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 96 5.083 -13.010 -7.227 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.938 -13.450 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.515 -12.790 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.689 -14.527 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.925 -14.841 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.570 -15.978 -7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.992 -15.199 -7.418 1.00 0.00 H new ATOM 1503 N ASP A 97 7.717 -13.092 -4.572 1.00 0.00 N ATOM 1504 CA ASP A 97 8.429 -12.020 -3.874 1.00 0.00 C ATOM 1505 C ASP A 97 9.462 -11.365 -4.791 1.00 0.00 C ATOM 1506 O ASP A 97 10.382 -12.026 -5.280 1.00 0.00 O ATOM 1507 CB ASP A 97 9.105 -12.578 -2.613 1.00 0.00 C ATOM 1508 CG ASP A 97 9.681 -11.498 -1.711 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.648 -10.824 -2.124 1.00 0.00 O ATOM 1510 OD2 ASP A 97 9.161 -11.327 -0.588 1.00 0.00 O ATOM 0 H ASP A 97 8.298 -13.896 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 97 7.708 -11.256 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.379 -13.164 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.903 -13.259 -2.908 1.00 0.00 H new ATOM 1515 N VAL A 98 9.299 -10.056 -5.012 1.00 0.00 N ATOM 1516 CA VAL A 98 10.209 -9.285 -5.864 1.00 0.00 C ATOM 1517 C VAL A 98 10.778 -8.096 -5.084 1.00 0.00 C ATOM 1518 O VAL A 98 10.037 -7.388 -4.406 1.00 0.00 O ATOM 1519 CB VAL A 98 9.492 -8.761 -7.141 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.482 -8.096 -8.093 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.746 -9.884 -7.853 1.00 0.00 C ATOM 0 H VAL A 98 8.540 -9.506 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 98 11.015 -9.952 -6.170 1.00 0.00 H new ATOM 0 HB VAL A 98 8.765 -8.013 -6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.953 -7.739 -8.977 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.960 -7.254 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.241 -8.819 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.255 -9.488 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.452 -10.662 -8.145 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.998 -10.306 -7.182 1.00 0.00 H new ATOM 1531 N LYS A 99 12.093 -7.885 -5.186 1.00 0.00 N ATOM 1532 CA LYS A 99 12.758 -6.777 -4.490 1.00 0.00 C ATOM 1533 C LYS A 99 12.439 -5.444 -5.170 1.00 0.00 C ATOM 1534 O LYS A 99 12.143 -5.408 -6.367 1.00 0.00 O ATOM 1535 CB LYS A 99 14.275 -6.993 -4.472 1.00 0.00 C ATOM 1536 CG LYS A 99 14.706 -8.290 -3.815 1.00 0.00 C ATOM 1537 CD LYS A 99 16.221 -8.410 -3.758 1.00 0.00 C ATOM 1538 CE LYS A 99 16.652 -9.711 -3.101 1.00 0.00 C ATOM 1539 NZ LYS A 99 18.134 -9.839 -3.041 1.00 0.00 N ATOM 0 H LYS A 99 12.719 -8.466 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 99 12.387 -6.749 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.646 -6.976 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.744 -6.160 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.298 -8.341 -2.806 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.294 -9.134 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.629 -8.358 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.633 -7.567 -3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.242 -9.761 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.237 -10.553 -3.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.387 -10.739 -2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.524 -9.817 -4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.529 -9.050 -2.490 1.00 0.00 H new ATOM 1553 N THR A 100 12.505 -4.351 -4.401 1.00 0.00 N ATOM 1554 CA THR A 100 12.224 -3.015 -4.934 1.00 0.00 C ATOM 1555 C THR A 100 13.518 -2.239 -5.167 1.00 0.00 C ATOM 1556 O THR A 100 14.450 -2.315 -4.362 1.00 0.00 O ATOM 1557 CB THR A 100 11.311 -2.227 -3.983 1.00 0.00 C ATOM 1558 OG1 THR A 100 11.945 -2.015 -2.735 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.989 -2.913 -3.712 1.00 0.00 C ATOM 0 H THR A 100 12.750 -4.366 -3.411 1.00 0.00 H new ATOM 0 HA THR A 100 11.713 -3.141 -5.888 1.00 0.00 H new ATOM 0 HB THR A 100 11.116 -1.284 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.062 -2.874 -2.277 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.394 -2.302 -3.033 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.449 -3.045 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.171 -3.887 -3.258 1.00 0.00 H new ATOM 1567 N ASP A 101 13.564 -1.490 -6.271 1.00 0.00 N ATOM 1568 CA ASP A 101 14.738 -0.690 -6.619 1.00 0.00 C ATOM 1569 C ASP A 101 14.549 0.769 -6.194 1.00 0.00 C ATOM 1570 O ASP A 101 13.599 1.092 -5.476 1.00 0.00 O ATOM 1571 CB ASP A 101 15.038 -0.795 -8.129 1.00 0.00 C ATOM 1572 CG ASP A 101 13.892 -0.348 -9.033 1.00 0.00 C ATOM 1573 OD1 ASP A 101 12.828 0.061 -8.520 1.00 0.00 O ATOM 1574 OD2 ASP A 101 14.065 -0.408 -10.268 1.00 0.00 O ATOM 0 H ASP A 101 12.798 -1.422 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 101 15.596 -1.086 -6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.918 -0.193 -8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.289 -1.829 -8.366 1.00 0.00 H new ATOM 1579 N LYS A 102 15.463 1.643 -6.631 1.00 0.00 N ATOM 1580 CA LYS A 102 15.402 3.065 -6.287 1.00 0.00 C ATOM 1581 C LYS A 102 14.386 3.821 -7.148 1.00 0.00 C ATOM 1582 O LYS A 102 14.104 4.991 -6.888 1.00 0.00 O ATOM 1583 CB LYS A 102 16.787 3.714 -6.432 1.00 0.00 C ATOM 1584 CG LYS A 102 17.375 3.629 -7.839 1.00 0.00 C ATOM 1585 CD LYS A 102 18.591 4.535 -8.017 1.00 0.00 C ATOM 1586 CE LYS A 102 18.211 6.015 -8.088 1.00 0.00 C ATOM 1587 NZ LYS A 102 17.321 6.316 -9.242 1.00 0.00 N ATOM 0 H LYS A 102 16.253 1.389 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 102 15.076 3.129 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.716 4.763 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.474 3.236 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.660 2.598 -8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.611 3.904 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.281 4.379 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.119 4.254 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.713 6.304 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 102 19.117 6.617 -8.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.601 7.222 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.403 5.559 -9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.336 6.378 -8.914 1.00 0.00 H new ATOM 1601 N TRP A 103 13.850 3.155 -8.173 1.00 0.00 N ATOM 1602 CA TRP A 103 12.877 3.781 -9.070 1.00 0.00 C ATOM 1603 C TRP A 103 11.440 3.469 -8.642 1.00 0.00 C ATOM 1604 O TRP A 103 10.512 3.522 -9.456 1.00 0.00 O ATOM 1605 CB TRP A 103 13.113 3.329 -10.520 1.00 0.00 C ATOM 1606 CG TRP A 103 14.514 3.573 -11.011 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.569 2.708 -10.942 1.00 0.00 C ATOM 1608 CD2 TRP A 103 15.017 4.767 -11.627 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.691 3.285 -11.485 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.378 4.548 -11.912 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.447 5.997 -11.969 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.177 5.513 -12.520 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.241 6.954 -12.572 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.594 6.707 -12.842 1.00 0.00 C ATOM 0 H TRP A 103 14.072 2.186 -8.402 1.00 0.00 H new ATOM 0 HA TRP A 103 13.017 4.860 -9.010 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.890 2.265 -10.600 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.413 3.851 -11.172 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.527 1.714 -10.521 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.608 2.844 -11.558 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.405 6.196 -11.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.220 5.325 -12.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 14.812 7.908 -12.840 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.188 7.476 -13.314 1.00 0.00 H new ATOM 1625 N ASP A 104 11.265 3.154 -7.357 1.00 0.00 N ATOM 1626 CA ASP A 104 9.947 2.840 -6.806 1.00 0.00 C ATOM 1627 C ASP A 104 9.493 3.905 -5.807 1.00 0.00 C ATOM 1628 O ASP A 104 8.296 4.044 -5.545 1.00 0.00 O ATOM 1629 CB ASP A 104 9.967 1.456 -6.139 1.00 0.00 C ATOM 1630 CG ASP A 104 9.984 0.312 -7.144 1.00 0.00 C ATOM 1631 OD1 ASP A 104 9.944 0.579 -8.367 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.029 -0.856 -6.706 1.00 0.00 O ATOM 0 H ASP A 104 12.024 3.110 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 104 9.232 2.828 -7.629 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.844 1.381 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.092 1.355 -5.497 1.00 0.00 H new ATOM 1637 N PHE A 105 10.455 4.654 -5.256 1.00 0.00 N ATOM 1638 CA PHE A 105 10.157 5.713 -4.285 1.00 0.00 C ATOM 1639 C PHE A 105 11.163 6.871 -4.372 1.00 0.00 C ATOM 1640 O PHE A 105 11.838 7.208 -3.393 1.00 0.00 O ATOM 1641 CB PHE A 105 10.081 5.145 -2.845 1.00 0.00 C ATOM 1642 CG PHE A 105 10.991 3.968 -2.549 1.00 0.00 C ATOM 1643 CD1 PHE A 105 12.377 4.075 -2.619 1.00 0.00 C ATOM 1644 CD2 PHE A 105 10.440 2.744 -2.201 1.00 0.00 C ATOM 1645 CE1 PHE A 105 13.182 2.988 -2.347 1.00 0.00 C ATOM 1646 CE2 PHE A 105 11.244 1.656 -1.927 1.00 0.00 C ATOM 1647 CZ PHE A 105 12.616 1.777 -1.999 1.00 0.00 C ATOM 0 H PHE A 105 11.447 4.546 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 105 9.178 6.118 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.317 5.947 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.052 4.843 -2.648 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.827 5.019 -2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.367 2.641 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.256 3.084 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.799 0.710 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 105 13.246 0.927 -1.784 1.00 0.00 H new ATOM 1657 N TYR A 106 11.244 7.484 -5.559 1.00 0.00 N ATOM 1658 CA TYR A 106 12.146 8.614 -5.797 1.00 0.00 C ATOM 1659 C TYR A 106 11.567 9.550 -6.864 1.00 0.00 C ATOM 1660 O TYR A 106 11.432 9.172 -8.030 1.00 0.00 O ATOM 1661 CB TYR A 106 13.544 8.104 -6.210 1.00 0.00 C ATOM 1662 CG TYR A 106 14.573 9.182 -6.555 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.779 10.301 -5.740 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.343 9.068 -7.706 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.715 11.261 -6.073 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.280 10.027 -8.041 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.461 11.120 -7.223 1.00 0.00 C ATOM 1668 OH TYR A 106 17.394 12.075 -7.555 1.00 0.00 O ATOM 0 H TYR A 106 10.692 7.213 -6.373 1.00 0.00 H new ATOM 0 HA TYR A 106 12.248 9.181 -4.872 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.942 7.496 -5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.430 7.448 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.197 10.416 -4.837 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.207 8.213 -8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.862 12.119 -5.434 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.868 9.920 -8.941 1.00 0.00 H new ATOM 0 HH TYR A 106 17.834 11.825 -8.394 1.00 0.00 H new ATOM 1678 N CYS A 107 11.235 10.773 -6.444 1.00 0.00 N ATOM 1679 CA CYS A 107 10.678 11.784 -7.341 1.00 0.00 C ATOM 1680 C CYS A 107 11.585 13.009 -7.404 1.00 0.00 C ATOM 1681 O CYS A 107 12.228 13.365 -6.414 1.00 0.00 O ATOM 1682 CB CYS A 107 9.278 12.202 -6.884 1.00 0.00 C ATOM 1683 SG CYS A 107 8.010 10.906 -7.068 1.00 0.00 S ATOM 0 H CYS A 107 11.344 11.087 -5.480 1.00 0.00 H new ATOM 0 HA CYS A 107 10.608 11.345 -8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.325 12.502 -5.837 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.970 13.079 -7.453 1.00 0.00 H new ATOM 1688 N GLN A 108 11.633 13.645 -8.575 1.00 0.00 N ATOM 1689 CA GLN A 108 12.458 14.829 -8.782 1.00 0.00 C ATOM 1690 C GLN A 108 11.596 16.054 -9.072 1.00 0.00 C ATOM 1691 O GLN A 108 12.063 17.182 -8.808 1.00 0.00 O ATOM 1692 CB GLN A 108 13.433 14.590 -9.934 1.00 0.00 C ATOM 1693 CG GLN A 108 14.439 13.479 -9.661 1.00 0.00 C ATOM 1694 CD GLN A 108 15.404 13.268 -10.811 1.00 0.00 C ATOM 1695 OE1 GLN A 108 16.147 14.174 -11.189 1.00 0.00 O ATOM 1696 NE2 GLN A 108 15.398 12.065 -11.374 1.00 0.00 N ATOM 1697 OXT GLN A 108 10.459 15.875 -9.560 1.00 0.00 O ATOM 0 H GLN A 108 11.105 13.355 -9.398 1.00 0.00 H new ATOM 0 HA GLN A 108 13.020 15.018 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 108 12.867 14.344 -10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 108 13.972 15.514 -10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.002 13.718 -8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 108 13.904 12.550 -9.466 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.765 11.343 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.026 11.863 -12.152 1.00 0.00 H new TER 1706 GLN A 108