USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 hydrogens (23 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 98 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 141:sc= 1.1 (180deg=0.173) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00922 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.951 K(o=0.95,f=-0.56) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -0.739 K(o=-0.74,f=-4.8!) USER MOD Single : A 124 THR OG1 : rot -63:sc= 0.846 USER MOD Single : A 127 THR OG1 : rot -53:sc= 0.595 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0755 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 159:sc=-0.00329 (180deg=-0.212) USER MOD Single : A 143 ASN : amide:sc= -7.26! C(o=-7.3!,f=-10!) USER MOD Single : A 144 ASN :FLIP amide:sc= -0.397 F(o=-2.1!,f=-0.4) USER MOD Single : A 157 MET CE :methyl -151:sc= -3.16! (180deg=-6.19!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 91 58.555 9.878 15.057 1.00 0.00 N ATOM 2 CA GLY A 91 58.870 9.490 16.430 1.00 0.00 C ATOM 3 C GLY A 91 57.598 9.173 17.209 1.00 0.00 C ATOM 4 O GLY A 91 57.221 9.896 18.131 1.00 0.00 O ATOM 0 HA2 GLY A 91 59.525 8.619 16.425 1.00 0.00 H new ATOM 0 HA3 GLY A 91 59.413 10.295 16.925 1.00 0.00 H new ATOM 8 N LYS A 92 56.940 8.082 16.827 1.00 0.00 N ATOM 9 CA LYS A 92 55.708 7.675 17.496 1.00 0.00 C ATOM 10 C LYS A 92 55.953 6.454 18.377 1.00 0.00 C ATOM 11 O LYS A 92 56.056 6.562 19.599 1.00 0.00 O ATOM 12 CB LYS A 92 54.627 7.337 16.468 1.00 0.00 C ATOM 13 CG LYS A 92 53.949 8.625 15.999 1.00 0.00 C ATOM 14 CD LYS A 92 52.758 8.278 15.105 1.00 0.00 C ATOM 15 CE LYS A 92 53.252 7.988 13.687 1.00 0.00 C ATOM 16 NZ LYS A 92 53.207 9.240 12.879 1.00 0.00 N ATOM 0 H LYS A 92 57.235 7.470 16.066 1.00 0.00 H new ATOM 0 HA LYS A 92 55.374 8.507 18.116 1.00 0.00 H new ATOM 0 HB2 LYS A 92 55.068 6.816 15.619 1.00 0.00 H new ATOM 0 HB3 LYS A 92 53.890 6.665 16.907 1.00 0.00 H new ATOM 0 HG2 LYS A 92 53.615 9.206 16.858 1.00 0.00 H new ATOM 0 HG3 LYS A 92 54.660 9.244 15.452 1.00 0.00 H new ATOM 0 HD2 LYS A 92 52.232 7.410 15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 92 52.047 9.104 15.092 1.00 0.00 H new ATOM 0 HE2 LYS A 92 54.270 7.599 13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 92 52.631 7.221 13.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 54.043 9.285 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 52.345 9.247 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 53.202 10.063 13.514 1.00 0.00 H new ATOM 30 N SER A 93 56.044 5.288 17.742 1.00 0.00 N ATOM 31 CA SER A 93 56.275 4.047 18.478 1.00 0.00 C ATOM 32 C SER A 93 56.253 2.852 17.531 1.00 0.00 C ATOM 33 O SER A 93 55.485 2.817 16.569 1.00 0.00 O ATOM 34 CB SER A 93 55.202 3.849 19.548 1.00 0.00 C ATOM 35 OG SER A 93 54.132 3.088 19.002 1.00 0.00 O ATOM 0 H SER A 93 55.963 5.176 16.731 1.00 0.00 H new ATOM 0 HA SER A 93 57.253 4.119 18.953 1.00 0.00 H new ATOM 0 HB2 SER A 93 55.624 3.337 20.413 1.00 0.00 H new ATOM 0 HB3 SER A 93 54.836 4.815 19.897 1.00 0.00 H new ATOM 0 HG SER A 93 53.442 2.957 19.685 1.00 0.00 H new ATOM 41 N GLU A 94 57.105 1.871 17.817 1.00 0.00 N ATOM 42 CA GLU A 94 57.181 0.671 16.988 1.00 0.00 C ATOM 43 C GLU A 94 55.796 0.058 16.802 1.00 0.00 C ATOM 44 O GLU A 94 55.422 -0.345 15.701 1.00 0.00 O ATOM 45 CB GLU A 94 58.103 -0.365 17.633 1.00 0.00 C ATOM 46 CG GLU A 94 59.529 0.189 17.695 1.00 0.00 C ATOM 47 CD GLU A 94 60.311 -0.539 18.783 1.00 0.00 C ATOM 48 OE1 GLU A 94 60.064 -1.719 18.974 1.00 0.00 O ATOM 49 OE2 GLU A 94 61.145 0.093 19.409 1.00 0.00 O ATOM 0 H GLU A 94 57.747 1.882 18.609 1.00 0.00 H new ATOM 0 HA GLU A 94 57.581 0.959 16.016 1.00 0.00 H new ATOM 0 HB2 GLU A 94 57.751 -0.606 18.636 1.00 0.00 H new ATOM 0 HB3 GLU A 94 58.086 -1.291 17.058 1.00 0.00 H new ATOM 0 HG2 GLU A 94 60.022 0.062 16.731 1.00 0.00 H new ATOM 0 HG3 GLU A 94 59.506 1.259 17.903 1.00 0.00 H new ATOM 56 N GLU A 95 55.039 -0.010 17.894 1.00 0.00 N ATOM 57 CA GLU A 95 53.694 -0.579 17.842 1.00 0.00 C ATOM 58 C GLU A 95 52.965 -0.107 16.588 1.00 0.00 C ATOM 59 O GLU A 95 52.474 -0.913 15.797 1.00 0.00 O ATOM 60 CB GLU A 95 52.887 -0.163 19.074 1.00 0.00 C ATOM 61 CG GLU A 95 52.897 -1.298 20.099 1.00 0.00 C ATOM 62 CD GLU A 95 51.634 -2.137 19.943 1.00 0.00 C ATOM 63 OE1 GLU A 95 51.155 -2.248 18.826 1.00 0.00 O ATOM 64 OE2 GLU A 95 51.164 -2.657 20.941 1.00 0.00 O ATOM 0 H GLU A 95 55.329 0.317 18.816 1.00 0.00 H new ATOM 0 HA GLU A 95 53.789 -1.665 17.821 1.00 0.00 H new ATOM 0 HB2 GLU A 95 53.312 0.740 19.512 1.00 0.00 H new ATOM 0 HB3 GLU A 95 51.862 0.073 18.788 1.00 0.00 H new ATOM 0 HG2 GLU A 95 53.780 -1.921 19.958 1.00 0.00 H new ATOM 0 HG3 GLU A 95 52.953 -0.890 21.108 1.00 0.00 H new ATOM 71 N GLU A 96 52.900 1.210 16.417 1.00 0.00 N ATOM 72 CA GLU A 96 52.227 1.786 15.256 1.00 0.00 C ATOM 73 C GLU A 96 52.944 1.389 13.970 1.00 0.00 C ATOM 74 O GLU A 96 52.331 0.869 13.036 1.00 0.00 O ATOM 75 CB GLU A 96 52.194 3.312 15.357 1.00 0.00 C ATOM 76 CG GLU A 96 51.293 3.727 16.522 1.00 0.00 C ATOM 77 CD GLU A 96 50.071 4.464 15.983 1.00 0.00 C ATOM 78 OE1 GLU A 96 49.233 3.818 15.377 1.00 0.00 O ATOM 79 OE2 GLU A 96 49.992 5.665 16.185 1.00 0.00 O ATOM 0 H GLU A 96 53.300 1.893 17.060 1.00 0.00 H new ATOM 0 HA GLU A 96 51.207 1.402 15.236 1.00 0.00 H new ATOM 0 HB2 GLU A 96 53.202 3.699 15.507 1.00 0.00 H new ATOM 0 HB3 GLU A 96 51.823 3.741 14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 96 50.981 2.848 17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 96 51.843 4.368 17.211 1.00 0.00 H new ATOM 86 N LEU A 97 54.250 1.640 13.930 1.00 0.00 N ATOM 87 CA LEU A 97 55.041 1.305 12.748 1.00 0.00 C ATOM 88 C LEU A 97 54.637 -0.065 12.212 1.00 0.00 C ATOM 89 O LEU A 97 54.503 -0.258 11.003 1.00 0.00 O ATOM 90 CB LEU A 97 56.535 1.290 13.081 1.00 0.00 C ATOM 91 CG LEU A 97 56.927 2.594 13.783 1.00 0.00 C ATOM 92 CD1 LEU A 97 58.448 2.752 13.751 1.00 0.00 C ATOM 93 CD2 LEU A 97 56.280 3.784 13.067 1.00 0.00 C ATOM 0 H LEU A 97 54.778 2.068 14.691 1.00 0.00 H new ATOM 0 HA LEU A 97 54.851 2.066 11.991 1.00 0.00 H new ATOM 0 HB2 LEU A 97 56.765 0.439 13.722 1.00 0.00 H new ATOM 0 HB3 LEU A 97 57.118 1.169 12.168 1.00 0.00 H new ATOM 0 HG LEU A 97 56.582 2.563 14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 97 58.728 3.680 14.250 1.00 0.00 H new ATOM 0 HD12 LEU A 97 58.912 1.910 14.264 1.00 0.00 H new ATOM 0 HD13 LEU A 97 58.789 2.780 12.716 1.00 0.00 H new ATOM 0 HD21 LEU A 97 56.562 4.709 13.570 1.00 0.00 H new ATOM 0 HD22 LEU A 97 56.621 3.815 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 97 55.196 3.676 13.088 1.00 0.00 H new ATOM 105 N SER A 98 54.442 -1.013 13.125 1.00 0.00 N ATOM 106 CA SER A 98 54.049 -2.363 12.732 1.00 0.00 C ATOM 107 C SER A 98 52.977 -2.302 11.650 1.00 0.00 C ATOM 108 O SER A 98 53.063 -2.987 10.630 1.00 0.00 O ATOM 109 CB SER A 98 53.503 -3.137 13.931 1.00 0.00 C ATOM 110 OG SER A 98 54.097 -4.428 13.966 1.00 0.00 O ATOM 0 H SER A 98 54.548 -0.874 14.130 1.00 0.00 H new ATOM 0 HA SER A 98 54.932 -2.874 12.348 1.00 0.00 H new ATOM 0 HB2 SER A 98 53.719 -2.600 14.854 1.00 0.00 H new ATOM 0 HB3 SER A 98 52.419 -3.225 13.859 1.00 0.00 H new ATOM 0 HG SER A 98 53.750 -4.927 14.735 1.00 0.00 H new ATOM 116 N ASP A 99 51.969 -1.465 11.880 1.00 0.00 N ATOM 117 CA ASP A 99 50.887 -1.311 10.914 1.00 0.00 C ATOM 118 C ASP A 99 51.443 -0.790 9.594 1.00 0.00 C ATOM 119 O ASP A 99 51.193 -1.353 8.529 1.00 0.00 O ATOM 120 CB ASP A 99 49.837 -0.327 11.435 1.00 0.00 C ATOM 121 CG ASP A 99 48.509 -1.051 11.624 1.00 0.00 C ATOM 122 OD1 ASP A 99 48.079 -1.714 10.694 1.00 0.00 O ATOM 123 OD2 ASP A 99 47.940 -0.932 12.696 1.00 0.00 O ATOM 0 H ASP A 99 51.879 -0.889 12.717 1.00 0.00 H new ATOM 0 HA ASP A 99 50.421 -2.285 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 99 50.166 0.105 12.380 1.00 0.00 H new ATOM 0 HB3 ASP A 99 49.717 0.498 10.733 1.00 0.00 H new ATOM 128 N LEU A 100 52.209 0.294 9.685 1.00 0.00 N ATOM 129 CA LEU A 100 52.813 0.894 8.500 1.00 0.00 C ATOM 130 C LEU A 100 53.412 -0.187 7.605 1.00 0.00 C ATOM 131 O LEU A 100 53.265 -0.153 6.383 1.00 0.00 O ATOM 132 CB LEU A 100 53.918 1.872 8.905 1.00 0.00 C ATOM 133 CG LEU A 100 53.749 3.186 8.140 1.00 0.00 C ATOM 134 CD1 LEU A 100 54.060 4.360 9.069 1.00 0.00 C ATOM 135 CD2 LEU A 100 54.711 3.209 6.950 1.00 0.00 C ATOM 0 H LEU A 100 52.425 0.771 10.560 1.00 0.00 H new ATOM 0 HA LEU A 100 52.034 1.428 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 100 53.878 2.057 9.978 1.00 0.00 H new ATOM 0 HB3 LEU A 100 54.896 1.439 8.693 1.00 0.00 H new ATOM 0 HG LEU A 100 52.723 3.269 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 100 53.940 5.297 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 100 53.376 4.343 9.918 1.00 0.00 H new ATOM 0 HD13 LEU A 100 55.086 4.278 9.428 1.00 0.00 H new ATOM 0 HD21 LEU A 100 54.592 4.145 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 100 55.737 3.127 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 100 54.491 2.372 6.288 1.00 0.00 H new ATOM 147 N PHE A 101 54.092 -1.146 8.228 1.00 0.00 N ATOM 148 CA PHE A 101 54.712 -2.233 7.476 1.00 0.00 C ATOM 149 C PHE A 101 53.675 -2.938 6.611 1.00 0.00 C ATOM 150 O PHE A 101 53.815 -3.019 5.391 1.00 0.00 O ATOM 151 CB PHE A 101 55.348 -3.253 8.421 1.00 0.00 C ATOM 152 CG PHE A 101 56.352 -4.080 7.657 1.00 0.00 C ATOM 153 CD1 PHE A 101 55.919 -4.956 6.654 1.00 0.00 C ATOM 154 CD2 PHE A 101 57.717 -3.969 7.948 1.00 0.00 C ATOM 155 CE1 PHE A 101 56.851 -5.721 5.943 1.00 0.00 C ATOM 156 CE2 PHE A 101 58.649 -4.735 7.236 1.00 0.00 C ATOM 157 CZ PHE A 101 58.216 -5.610 6.234 1.00 0.00 C ATOM 0 H PHE A 101 54.227 -1.193 9.238 1.00 0.00 H new ATOM 0 HA PHE A 101 55.486 -1.801 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 101 55.836 -2.742 9.251 1.00 0.00 H new ATOM 0 HB3 PHE A 101 54.580 -3.897 8.850 1.00 0.00 H new ATOM 0 HD1 PHE A 101 54.866 -5.041 6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 101 58.051 -3.293 8.721 1.00 0.00 H new ATOM 0 HE1 PHE A 101 56.517 -6.397 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 101 59.702 -4.650 7.461 1.00 0.00 H new ATOM 0 HZ PHE A 101 58.935 -6.200 5.685 1.00 0.00 H new ATOM 167 N ARG A 102 52.624 -3.436 7.255 1.00 0.00 N ATOM 168 CA ARG A 102 51.561 -4.118 6.527 1.00 0.00 C ATOM 169 C ARG A 102 50.867 -3.115 5.623 1.00 0.00 C ATOM 170 O ARG A 102 50.433 -3.436 4.516 1.00 0.00 O ATOM 171 CB ARG A 102 50.537 -4.719 7.491 1.00 0.00 C ATOM 172 CG ARG A 102 49.338 -5.244 6.699 1.00 0.00 C ATOM 173 CD ARG A 102 48.452 -6.089 7.615 1.00 0.00 C ATOM 174 NE ARG A 102 47.823 -5.253 8.635 1.00 0.00 N ATOM 175 CZ ARG A 102 47.397 -5.771 9.785 1.00 0.00 C ATOM 176 NH1 ARG A 102 47.526 -7.049 10.016 1.00 0.00 N ATOM 177 NH2 ARG A 102 46.844 -5.000 10.682 1.00 0.00 N ATOM 0 H ARG A 102 52.487 -3.382 8.264 1.00 0.00 H new ATOM 0 HA ARG A 102 51.998 -4.926 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 102 50.991 -5.528 8.063 1.00 0.00 H new ATOM 0 HB3 ARG A 102 50.211 -3.966 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 102 48.766 -4.411 6.290 1.00 0.00 H new ATOM 0 HG3 ARG A 102 49.680 -5.842 5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 102 47.685 -6.592 7.026 1.00 0.00 H new ATOM 0 HD3 ARG A 102 49.049 -6.867 8.092 1.00 0.00 H new ATOM 0 HE ARG A 102 47.708 -4.254 8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 102 47.954 -7.653 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 102 47.199 -7.443 10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 102 46.739 -4.002 10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 102 46.517 -5.396 11.563 1.00 0.00 H new ATOM 191 N MET A 103 50.791 -1.884 6.113 1.00 0.00 N ATOM 192 CA MET A 103 50.175 -0.805 5.358 1.00 0.00 C ATOM 193 C MET A 103 50.898 -0.638 4.025 1.00 0.00 C ATOM 194 O MET A 103 50.362 -0.069 3.073 1.00 0.00 O ATOM 195 CB MET A 103 50.261 0.498 6.155 1.00 0.00 C ATOM 196 CG MET A 103 48.976 1.305 5.968 1.00 0.00 C ATOM 197 SD MET A 103 47.670 0.604 7.006 1.00 0.00 S ATOM 198 CE MET A 103 46.882 2.165 7.474 1.00 0.00 C ATOM 0 H MET A 103 51.148 -1.610 7.028 1.00 0.00 H new ATOM 0 HA MET A 103 49.128 -1.045 5.175 1.00 0.00 H new ATOM 0 HB2 MET A 103 50.413 0.279 7.212 1.00 0.00 H new ATOM 0 HB3 MET A 103 51.120 1.082 5.823 1.00 0.00 H new ATOM 0 HG2 MET A 103 49.147 2.348 6.234 1.00 0.00 H new ATOM 0 HG3 MET A 103 48.672 1.289 4.921 1.00 0.00 H new ATOM 0 HE1 MET A 103 46.034 1.963 8.128 1.00 0.00 H new ATOM 0 HE2 MET A 103 47.602 2.793 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 103 46.535 2.680 6.578 1.00 0.00 H new ATOM 208 N PHE A 104 52.125 -1.155 3.972 1.00 0.00 N ATOM 209 CA PHE A 104 52.932 -1.081 2.757 1.00 0.00 C ATOM 210 C PHE A 104 52.787 -2.370 1.956 1.00 0.00 C ATOM 211 O PHE A 104 52.485 -2.350 0.762 1.00 0.00 O ATOM 212 CB PHE A 104 54.411 -0.887 3.107 1.00 0.00 C ATOM 213 CG PHE A 104 55.116 -0.204 1.961 1.00 0.00 C ATOM 214 CD1 PHE A 104 55.188 -0.831 0.711 1.00 0.00 C ATOM 215 CD2 PHE A 104 55.699 1.055 2.147 1.00 0.00 C ATOM 216 CE1 PHE A 104 55.843 -0.199 -0.352 1.00 0.00 C ATOM 217 CE2 PHE A 104 56.354 1.687 1.084 1.00 0.00 C ATOM 218 CZ PHE A 104 56.426 1.060 -0.166 1.00 0.00 C ATOM 0 H PHE A 104 52.580 -1.628 4.753 1.00 0.00 H new ATOM 0 HA PHE A 104 52.582 -0.233 2.168 1.00 0.00 H new ATOM 0 HB2 PHE A 104 54.505 -0.289 4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 104 54.877 -1.851 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 104 54.738 -1.802 0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 104 55.643 1.539 3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 104 55.899 -0.683 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 104 56.804 2.658 1.228 1.00 0.00 H new ATOM 0 HZ PHE A 104 56.931 1.548 -0.987 1.00 0.00 H new ATOM 228 N ASP A 105 53.008 -3.493 2.634 1.00 0.00 N ATOM 229 CA ASP A 105 52.907 -4.800 1.991 1.00 0.00 C ATOM 230 C ASP A 105 51.515 -5.003 1.399 1.00 0.00 C ATOM 231 O ASP A 105 50.585 -5.419 2.090 1.00 0.00 O ATOM 232 CB ASP A 105 53.183 -5.912 3.005 1.00 0.00 C ATOM 233 CG ASP A 105 54.243 -6.858 2.451 1.00 0.00 C ATOM 234 OD1 ASP A 105 54.993 -6.435 1.587 1.00 0.00 O ATOM 235 OD2 ASP A 105 54.289 -7.991 2.900 1.00 0.00 O ATOM 0 H ASP A 105 53.257 -3.525 3.623 1.00 0.00 H new ATOM 0 HA ASP A 105 53.647 -4.839 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 105 53.522 -5.482 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 105 52.266 -6.461 3.216 1.00 0.00 H new ATOM 240 N LYS A 106 51.385 -4.710 0.108 1.00 0.00 N ATOM 241 CA LYS A 106 50.103 -4.870 -0.575 1.00 0.00 C ATOM 242 C LYS A 106 49.850 -6.341 -0.902 1.00 0.00 C ATOM 243 O LYS A 106 48.833 -6.692 -1.500 1.00 0.00 O ATOM 244 CB LYS A 106 50.086 -4.063 -1.875 1.00 0.00 C ATOM 245 CG LYS A 106 49.760 -2.601 -1.565 1.00 0.00 C ATOM 246 CD LYS A 106 48.305 -2.488 -1.106 1.00 0.00 C ATOM 247 CE LYS A 106 47.397 -3.214 -2.100 1.00 0.00 C ATOM 248 NZ LYS A 106 45.989 -2.773 -1.899 1.00 0.00 N ATOM 0 H LYS A 106 52.142 -4.364 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 106 49.321 -4.506 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 106 51.054 -4.133 -2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 106 49.345 -4.474 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 106 50.427 -2.225 -0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 106 49.922 -1.986 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 106 48.192 -2.920 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 106 48.016 -1.439 -1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 106 47.714 -3.001 -3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 106 47.475 -4.292 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 45.371 -3.266 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 45.690 -2.998 -0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 45.921 -1.747 -2.053 1.00 0.00 H new ATOM 262 N ASN A 107 50.789 -7.197 -0.503 1.00 0.00 N ATOM 263 CA ASN A 107 50.661 -8.630 -0.758 1.00 0.00 C ATOM 264 C ASN A 107 50.577 -9.393 0.562 1.00 0.00 C ATOM 265 O ASN A 107 50.167 -10.554 0.600 1.00 0.00 O ATOM 266 CB ASN A 107 51.866 -9.133 -1.562 1.00 0.00 C ATOM 267 CG ASN A 107 51.938 -10.656 -1.502 1.00 0.00 C ATOM 268 OD1 ASN A 107 51.023 -11.347 -1.950 1.00 0.00 O ATOM 269 ND2 ASN A 107 52.985 -11.225 -0.969 1.00 0.00 N ATOM 0 H ASN A 107 51.638 -6.927 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 107 49.750 -8.800 -1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 107 51.784 -8.806 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 107 52.784 -8.702 -1.164 1.00 0.00 H new ATOM 0 HD21 ASN A 107 53.045 -12.242 -0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 107 53.743 -10.652 -0.598 1.00 0.00 H new ATOM 276 N ALA A 108 50.972 -8.728 1.643 1.00 0.00 N ATOM 277 CA ALA A 108 50.941 -9.350 2.962 1.00 0.00 C ATOM 278 C ALA A 108 51.876 -10.553 3.003 1.00 0.00 C ATOM 279 O ALA A 108 51.469 -11.686 2.745 1.00 0.00 O ATOM 280 CB ALA A 108 49.525 -9.810 3.307 1.00 0.00 C ATOM 0 H ALA A 108 51.314 -7.767 1.633 1.00 0.00 H new ATOM 0 HA ALA A 108 51.267 -8.608 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 108 49.523 -10.271 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 108 48.853 -8.952 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 108 49.188 -10.536 2.567 1.00 0.00 H new ATOM 286 N ASP A 109 53.135 -10.290 3.330 1.00 0.00 N ATOM 287 CA ASP A 109 54.133 -11.353 3.405 1.00 0.00 C ATOM 288 C ASP A 109 55.113 -11.084 4.543 1.00 0.00 C ATOM 289 O ASP A 109 55.533 -12.000 5.250 1.00 0.00 O ATOM 290 CB ASP A 109 54.911 -11.450 2.091 1.00 0.00 C ATOM 291 CG ASP A 109 55.164 -10.049 1.544 1.00 0.00 C ATOM 292 OD1 ASP A 109 56.005 -9.361 2.098 1.00 0.00 O ATOM 293 OD2 ASP A 109 54.514 -9.686 0.577 1.00 0.00 O ATOM 0 H ASP A 109 53.489 -9.358 3.546 1.00 0.00 H new ATOM 0 HA ASP A 109 53.611 -12.292 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 109 55.858 -11.965 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 109 54.349 -12.039 1.366 1.00 0.00 H new ATOM 298 N GLY A 110 55.473 -9.816 4.709 1.00 0.00 N ATOM 299 CA GLY A 110 56.408 -9.431 5.762 1.00 0.00 C ATOM 300 C GLY A 110 57.613 -8.700 5.178 1.00 0.00 C ATOM 301 O GLY A 110 58.493 -8.245 5.909 1.00 0.00 O ATOM 0 H GLY A 110 55.136 -9.043 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 110 55.904 -8.790 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 110 56.741 -10.318 6.300 1.00 0.00 H new ATOM 305 N TYR A 111 57.645 -8.593 3.851 1.00 0.00 N ATOM 306 CA TYR A 111 58.748 -7.915 3.177 1.00 0.00 C ATOM 307 C TYR A 111 58.238 -7.160 1.954 1.00 0.00 C ATOM 308 O TYR A 111 57.555 -7.723 1.099 1.00 0.00 O ATOM 309 CB TYR A 111 59.807 -8.925 2.732 1.00 0.00 C ATOM 310 CG TYR A 111 60.397 -9.606 3.944 1.00 0.00 C ATOM 311 CD1 TYR A 111 59.670 -10.600 4.610 1.00 0.00 C ATOM 312 CD2 TYR A 111 61.670 -9.246 4.400 1.00 0.00 C ATOM 313 CE1 TYR A 111 60.216 -11.233 5.733 1.00 0.00 C ATOM 314 CE2 TYR A 111 62.217 -9.878 5.523 1.00 0.00 C ATOM 315 CZ TYR A 111 61.490 -10.872 6.189 1.00 0.00 C ATOM 316 OH TYR A 111 62.029 -11.496 7.296 1.00 0.00 O ATOM 0 H TYR A 111 56.928 -8.963 3.228 1.00 0.00 H new ATOM 0 HA TYR A 111 59.192 -7.212 3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 111 59.362 -9.665 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 111 60.591 -8.420 2.168 1.00 0.00 H new ATOM 0 HD1 TYR A 111 58.688 -10.878 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 111 62.231 -8.480 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 111 59.655 -11.999 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 111 63.199 -9.599 5.875 1.00 0.00 H new ATOM 0 HH TYR A 111 62.919 -11.129 7.477 1.00 0.00 H new ATOM 326 N ILE A 112 58.579 -5.877 1.881 1.00 0.00 N ATOM 327 CA ILE A 112 58.151 -5.047 0.757 1.00 0.00 C ATOM 328 C ILE A 112 58.975 -5.373 -0.485 1.00 0.00 C ATOM 329 O ILE A 112 60.192 -5.543 -0.413 1.00 0.00 O ATOM 330 CB ILE A 112 58.310 -3.560 1.093 1.00 0.00 C ATOM 331 CG1 ILE A 112 57.745 -3.273 2.495 1.00 0.00 C ATOM 332 CG2 ILE A 112 57.555 -2.720 0.062 1.00 0.00 C ATOM 333 CD1 ILE A 112 56.467 -4.084 2.723 1.00 0.00 C ATOM 0 H ILE A 112 59.144 -5.392 2.578 1.00 0.00 H new ATOM 0 HA ILE A 112 57.100 -5.259 0.561 1.00 0.00 H new ATOM 0 HB ILE A 112 59.369 -3.303 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 112 58.486 -3.527 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 112 57.533 -2.209 2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 112 57.668 -1.663 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 112 57.960 -2.913 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 112 56.498 -2.985 0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 112 56.075 -3.874 3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 112 55.723 -3.809 1.975 1.00 0.00 H new ATOM 0 HD13 ILE A 112 56.691 -5.147 2.639 1.00 0.00 H new ATOM 345 N ASP A 113 58.294 -5.463 -1.624 1.00 0.00 N ATOM 346 CA ASP A 113 58.971 -5.774 -2.881 1.00 0.00 C ATOM 347 C ASP A 113 58.792 -4.635 -3.879 1.00 0.00 C ATOM 348 O ASP A 113 57.734 -4.010 -3.948 1.00 0.00 O ATOM 349 CB ASP A 113 58.408 -7.061 -3.489 1.00 0.00 C ATOM 350 CG ASP A 113 56.934 -7.197 -3.122 1.00 0.00 C ATOM 351 OD1 ASP A 113 56.656 -7.523 -1.980 1.00 0.00 O ATOM 352 OD2 ASP A 113 56.106 -6.973 -3.989 1.00 0.00 O ATOM 0 H ASP A 113 57.286 -5.327 -1.704 1.00 0.00 H new ATOM 0 HA ASP A 113 60.031 -5.907 -2.667 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.523 -7.044 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 113 58.966 -7.923 -3.122 1.00 0.00 H new ATOM 357 N LEU A 114 59.842 -4.375 -4.653 1.00 0.00 N ATOM 358 CA LEU A 114 59.797 -3.308 -5.649 1.00 0.00 C ATOM 359 C LEU A 114 58.528 -3.413 -6.488 1.00 0.00 C ATOM 360 O LEU A 114 58.034 -2.420 -7.021 1.00 0.00 O ATOM 361 CB LEU A 114 61.012 -3.392 -6.576 1.00 0.00 C ATOM 362 CG LEU A 114 61.059 -2.150 -7.468 1.00 0.00 C ATOM 363 CD1 LEU A 114 62.021 -1.125 -6.866 1.00 0.00 C ATOM 364 CD2 LEU A 114 61.544 -2.542 -8.865 1.00 0.00 C ATOM 0 H LEU A 114 60.726 -4.882 -4.611 1.00 0.00 H new ATOM 0 HA LEU A 114 59.805 -2.355 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 114 61.927 -3.466 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 114 60.954 -4.291 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 114 60.061 -1.716 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 114 62.054 -0.240 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 114 61.677 -0.844 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 114 63.018 -1.559 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 114 61.577 -1.657 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 114 62.541 -2.976 -8.795 1.00 0.00 H new ATOM 0 HD23 LEU A 114 60.859 -3.272 -9.296 1.00 0.00 H new ATOM 376 N GLU A 115 58.012 -4.632 -6.604 1.00 0.00 N ATOM 377 CA GLU A 115 56.802 -4.868 -7.388 1.00 0.00 C ATOM 378 C GLU A 115 55.579 -4.272 -6.698 1.00 0.00 C ATOM 379 O GLU A 115 54.559 -4.009 -7.335 1.00 0.00 O ATOM 380 CB GLU A 115 56.580 -6.368 -7.585 1.00 0.00 C ATOM 381 CG GLU A 115 57.335 -6.836 -8.831 1.00 0.00 C ATOM 382 CD GLU A 115 56.435 -7.746 -9.659 1.00 0.00 C ATOM 383 OE1 GLU A 115 55.534 -8.337 -9.087 1.00 0.00 O ATOM 384 OE2 GLU A 115 56.660 -7.839 -10.855 1.00 0.00 O ATOM 0 H GLU A 115 58.407 -5.466 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 115 56.936 -4.385 -8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 115 56.927 -6.916 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 115 55.516 -6.578 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 115 57.646 -5.977 -9.425 1.00 0.00 H new ATOM 0 HG3 GLU A 115 58.241 -7.368 -8.542 1.00 0.00 H new ATOM 391 N GLU A 116 55.687 -4.061 -5.390 1.00 0.00 N ATOM 392 CA GLU A 116 54.576 -3.495 -4.629 1.00 0.00 C ATOM 393 C GLU A 116 54.718 -1.979 -4.525 1.00 0.00 C ATOM 394 O GLU A 116 53.729 -1.253 -4.435 1.00 0.00 O ATOM 395 CB GLU A 116 54.528 -4.090 -3.220 1.00 0.00 C ATOM 396 CG GLU A 116 53.590 -5.299 -3.206 1.00 0.00 C ATOM 397 CD GLU A 116 53.994 -6.243 -2.079 1.00 0.00 C ATOM 398 OE1 GLU A 116 54.222 -5.762 -0.981 1.00 0.00 O ATOM 399 OE2 GLU A 116 54.072 -7.434 -2.330 1.00 0.00 O ATOM 0 H GLU A 116 56.520 -4.270 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 116 53.653 -3.739 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU A 116 55.528 -4.389 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 116 54.182 -3.340 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 116 52.559 -4.972 -3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 116 53.635 -5.818 -4.163 1.00 0.00 H new ATOM 406 N LEU A 117 55.963 -1.511 -4.538 1.00 0.00 N ATOM 407 CA LEU A 117 56.228 -0.077 -4.444 1.00 0.00 C ATOM 408 C LEU A 117 55.422 0.685 -5.491 1.00 0.00 C ATOM 409 O LEU A 117 54.625 1.565 -5.165 1.00 0.00 O ATOM 410 CB LEU A 117 57.716 0.208 -4.658 1.00 0.00 C ATOM 411 CG LEU A 117 58.349 0.634 -3.333 1.00 0.00 C ATOM 412 CD1 LEU A 117 58.866 -0.600 -2.593 1.00 0.00 C ATOM 413 CD2 LEU A 117 59.515 1.587 -3.609 1.00 0.00 C ATOM 0 H LEU A 117 56.796 -2.095 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 117 55.934 0.254 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 117 58.216 -0.681 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 117 57.843 0.993 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 117 57.602 1.139 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 117 59.317 -0.295 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 117 58.037 -1.280 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 117 59.613 -1.105 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 117 59.967 1.892 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 117 60.261 1.081 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 117 59.148 2.468 -4.136 1.00 0.00 H new ATOM 425 N LYS A 118 55.639 0.336 -6.756 1.00 0.00 N ATOM 426 CA LYS A 118 54.930 0.993 -7.851 1.00 0.00 C ATOM 427 C LYS A 118 53.472 1.234 -7.473 1.00 0.00 C ATOM 428 O LYS A 118 52.893 2.269 -7.804 1.00 0.00 O ATOM 429 CB LYS A 118 54.981 0.132 -9.114 1.00 0.00 C ATOM 430 CG LYS A 118 56.203 0.520 -9.950 1.00 0.00 C ATOM 431 CD LYS A 118 56.864 -0.742 -10.507 1.00 0.00 C ATOM 432 CE LYS A 118 58.036 -0.350 -11.409 1.00 0.00 C ATOM 433 NZ LYS A 118 57.675 -0.600 -12.833 1.00 0.00 N ATOM 0 H LYS A 118 56.293 -0.390 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 118 55.418 1.948 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 118 55.032 -0.923 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 118 54.070 0.269 -9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 118 55.904 1.177 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 118 56.914 1.075 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 118 57.215 -1.372 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 118 56.137 -1.327 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 118 58.283 0.702 -11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 118 58.922 -0.925 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 58.472 -0.333 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 57.460 -1.609 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 56.841 -0.032 -13.084 1.00 0.00 H new ATOM 447 N ILE A 119 52.886 0.265 -6.775 1.00 0.00 N ATOM 448 CA ILE A 119 51.492 0.377 -6.354 1.00 0.00 C ATOM 449 C ILE A 119 51.324 1.528 -5.367 1.00 0.00 C ATOM 450 O ILE A 119 50.398 2.331 -5.478 1.00 0.00 O ATOM 451 CB ILE A 119 51.027 -0.918 -5.688 1.00 0.00 C ATOM 452 CG1 ILE A 119 51.371 -2.108 -6.587 1.00 0.00 C ATOM 453 CG2 ILE A 119 49.514 -0.868 -5.475 1.00 0.00 C ATOM 454 CD1 ILE A 119 50.968 -3.407 -5.888 1.00 0.00 C ATOM 0 H ILE A 119 53.349 -0.598 -6.491 1.00 0.00 H new ATOM 0 HA ILE A 119 50.888 0.566 -7.242 1.00 0.00 H new ATOM 0 HB ILE A 119 51.528 -1.029 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 119 50.851 -2.019 -7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 119 52.439 -2.116 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 119 49.183 -1.791 -5.000 1.00 0.00 H new ATOM 0 HG22 ILE A 119 49.264 -0.021 -4.836 1.00 0.00 H new ATOM 0 HG23 ILE A 119 49.015 -0.755 -6.437 1.00 0.00 H new ATOM 0 HD11 ILE A 119 51.213 -4.255 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 119 51.508 -3.496 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 119 49.896 -3.397 -5.692 1.00 0.00 H new ATOM 466 N MET A 120 52.232 1.596 -4.398 1.00 0.00 N ATOM 467 CA MET A 120 52.179 2.652 -3.391 1.00 0.00 C ATOM 468 C MET A 120 52.406 4.016 -4.036 1.00 0.00 C ATOM 469 O MET A 120 52.174 5.056 -3.418 1.00 0.00 O ATOM 470 CB MET A 120 53.249 2.424 -2.321 1.00 0.00 C ATOM 471 CG MET A 120 52.608 2.479 -0.933 1.00 0.00 C ATOM 472 SD MET A 120 52.190 4.194 -0.530 1.00 0.00 S ATOM 473 CE MET A 120 50.882 3.832 0.667 1.00 0.00 C ATOM 0 H MET A 120 53.006 0.940 -4.288 1.00 0.00 H new ATOM 0 HA MET A 120 51.192 2.628 -2.930 1.00 0.00 H new ATOM 0 HB2 MET A 120 53.729 1.457 -2.473 1.00 0.00 H new ATOM 0 HB3 MET A 120 54.027 3.183 -2.403 1.00 0.00 H new ATOM 0 HG2 MET A 120 51.711 1.860 -0.910 1.00 0.00 H new ATOM 0 HG3 MET A 120 53.293 2.076 -0.188 1.00 0.00 H new ATOM 0 HE1 MET A 120 50.473 4.766 1.053 1.00 0.00 H new ATOM 0 HE2 MET A 120 50.090 3.263 0.180 1.00 0.00 H new ATOM 0 HE3 MET A 120 51.294 3.249 1.491 1.00 0.00 H new ATOM 483 N LEU A 121 52.866 4.002 -5.285 1.00 0.00 N ATOM 484 CA LEU A 121 53.127 5.246 -6.004 1.00 0.00 C ATOM 485 C LEU A 121 52.065 5.483 -7.075 1.00 0.00 C ATOM 486 O LEU A 121 51.390 6.513 -7.084 1.00 0.00 O ATOM 487 CB LEU A 121 54.502 5.198 -6.674 1.00 0.00 C ATOM 488 CG LEU A 121 55.563 4.817 -5.641 1.00 0.00 C ATOM 489 CD1 LEU A 121 56.898 4.574 -6.347 1.00 0.00 C ATOM 490 CD2 LEU A 121 55.722 5.955 -4.630 1.00 0.00 C ATOM 0 H LEU A 121 53.064 3.153 -5.815 1.00 0.00 H new ATOM 0 HA LEU A 121 53.100 6.061 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 121 54.496 4.473 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 121 54.738 6.168 -7.112 1.00 0.00 H new ATOM 0 HG LEU A 121 55.255 3.909 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 121 57.655 4.302 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 121 56.786 3.764 -7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 121 57.206 5.482 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 121 56.478 5.684 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 121 56.030 6.863 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 121 54.771 6.130 -4.127 1.00 0.00 H new ATOM 502 N GLN A 122 51.932 4.519 -7.981 1.00 0.00 N ATOM 503 CA GLN A 122 50.956 4.627 -9.065 1.00 0.00 C ATOM 504 C GLN A 122 49.555 4.872 -8.513 1.00 0.00 C ATOM 505 O GLN A 122 48.658 5.312 -9.233 1.00 0.00 O ATOM 506 CB GLN A 122 50.942 3.344 -9.897 1.00 0.00 C ATOM 507 CG GLN A 122 51.851 3.514 -11.116 1.00 0.00 C ATOM 508 CD GLN A 122 53.304 3.606 -10.660 1.00 0.00 C ATOM 509 OE1 GLN A 122 53.900 2.607 -10.258 1.00 0.00 O ATOM 510 NE2 GLN A 122 53.915 4.759 -10.700 1.00 0.00 N ATOM 0 H GLN A 122 52.482 3.660 -7.989 1.00 0.00 H new ATOM 0 HA GLN A 122 51.248 5.470 -9.691 1.00 0.00 H new ATOM 0 HB2 GLN A 122 51.281 2.503 -9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 122 49.925 3.117 -10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 122 51.725 2.672 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 122 51.574 4.413 -11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 122 53.421 5.587 -11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 122 54.887 4.832 -10.398 1.00 0.00 H new ATOM 519 N ALA A 123 49.373 4.577 -7.229 1.00 0.00 N ATOM 520 CA ALA A 123 48.070 4.764 -6.595 1.00 0.00 C ATOM 521 C ALA A 123 47.926 6.185 -6.056 1.00 0.00 C ATOM 522 O ALA A 123 46.832 6.749 -6.043 1.00 0.00 O ATOM 523 CB ALA A 123 47.891 3.776 -5.441 1.00 0.00 C ATOM 0 H ALA A 123 50.100 4.212 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 123 47.306 4.588 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 123 46.915 3.929 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 123 47.957 2.757 -5.821 1.00 0.00 H new ATOM 0 HB3 ALA A 123 48.673 3.938 -4.699 1.00 0.00 H new ATOM 529 N THR A 124 49.041 6.756 -5.608 1.00 0.00 N ATOM 530 CA THR A 124 49.022 8.112 -5.064 1.00 0.00 C ATOM 531 C THR A 124 49.212 9.139 -6.175 1.00 0.00 C ATOM 532 O THR A 124 50.006 10.072 -6.048 1.00 0.00 O ATOM 533 CB THR A 124 50.131 8.291 -4.026 1.00 0.00 C ATOM 534 OG1 THR A 124 50.063 9.603 -3.486 1.00 0.00 O ATOM 535 CG2 THR A 124 51.491 8.079 -4.690 1.00 0.00 C ATOM 0 H THR A 124 49.958 6.309 -5.610 1.00 0.00 H new ATOM 0 HA THR A 124 48.053 8.266 -4.590 1.00 0.00 H new ATOM 0 HB THR A 124 50.003 7.562 -3.226 1.00 0.00 H new ATOM 0 HG1 THR A 124 50.227 10.258 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 124 52.281 8.207 -3.950 1.00 0.00 H new ATOM 0 HG22 THR A 124 51.541 7.072 -5.104 1.00 0.00 H new ATOM 0 HG23 THR A 124 51.623 8.807 -5.490 1.00 0.00 H new ATOM 543 N GLY A 125 48.471 8.961 -7.264 1.00 0.00 N ATOM 544 CA GLY A 125 48.560 9.881 -8.393 1.00 0.00 C ATOM 545 C GLY A 125 49.818 9.619 -9.214 1.00 0.00 C ATOM 546 O GLY A 125 50.324 10.508 -9.896 1.00 0.00 O ATOM 0 H GLY A 125 47.808 8.196 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 125 47.679 9.772 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 125 48.566 10.909 -8.030 1.00 0.00 H new ATOM 550 N GLU A 126 50.313 8.386 -9.141 1.00 0.00 N ATOM 551 CA GLU A 126 51.515 8.010 -9.886 1.00 0.00 C ATOM 552 C GLU A 126 52.535 9.147 -9.869 1.00 0.00 C ATOM 553 O GLU A 126 53.357 9.242 -8.958 1.00 0.00 O ATOM 554 CB GLU A 126 51.173 7.659 -11.341 1.00 0.00 C ATOM 555 CG GLU A 126 49.820 8.268 -11.722 1.00 0.00 C ATOM 556 CD GLU A 126 49.356 7.688 -13.053 1.00 0.00 C ATOM 557 OE1 GLU A 126 48.829 6.587 -13.046 1.00 0.00 O ATOM 558 OE2 GLU A 126 49.533 8.353 -14.060 1.00 0.00 O ATOM 0 H GLU A 126 49.907 7.637 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 126 51.942 7.133 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 126 51.950 8.034 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 126 51.142 6.577 -11.465 1.00 0.00 H new ATOM 0 HG2 GLU A 126 49.084 8.059 -10.946 1.00 0.00 H new ATOM 0 HG3 GLU A 126 49.905 9.352 -11.796 1.00 0.00 H new ATOM 565 N THR A 127 52.471 10.008 -10.884 1.00 0.00 N ATOM 566 CA THR A 127 53.392 11.140 -10.980 1.00 0.00 C ATOM 567 C THR A 127 54.772 10.766 -10.447 1.00 0.00 C ATOM 568 O THR A 127 55.469 11.590 -9.855 1.00 0.00 O ATOM 569 CB THR A 127 52.860 12.332 -10.181 1.00 0.00 C ATOM 570 OG1 THR A 127 53.644 13.480 -10.470 1.00 0.00 O ATOM 571 CG2 THR A 127 52.937 12.023 -8.684 1.00 0.00 C ATOM 0 H THR A 127 51.796 9.945 -11.646 1.00 0.00 H new ATOM 0 HA THR A 127 53.474 11.410 -12.033 1.00 0.00 H new ATOM 0 HB THR A 127 51.822 12.520 -10.457 1.00 0.00 H new ATOM 0 HG1 THR A 127 54.592 13.272 -10.334 1.00 0.00 H new ATOM 0 HG21 THR A 127 52.558 12.873 -8.117 1.00 0.00 H new ATOM 0 HG22 THR A 127 52.335 11.142 -8.463 1.00 0.00 H new ATOM 0 HG23 THR A 127 53.973 11.834 -8.404 1.00 0.00 H new ATOM 579 N ILE A 128 55.161 9.512 -10.662 1.00 0.00 N ATOM 580 CA ILE A 128 56.462 9.041 -10.197 1.00 0.00 C ATOM 581 C ILE A 128 57.184 8.287 -11.311 1.00 0.00 C ATOM 582 O ILE A 128 56.571 7.550 -12.083 1.00 0.00 O ATOM 583 CB ILE A 128 56.294 8.116 -8.986 1.00 0.00 C ATOM 584 CG1 ILE A 128 55.937 8.953 -7.752 1.00 0.00 C ATOM 585 CG2 ILE A 128 57.599 7.355 -8.725 1.00 0.00 C ATOM 586 CD1 ILE A 128 57.180 9.689 -7.246 1.00 0.00 C ATOM 0 H ILE A 128 54.602 8.812 -11.149 1.00 0.00 H new ATOM 0 HA ILE A 128 57.054 9.909 -9.907 1.00 0.00 H new ATOM 0 HB ILE A 128 55.497 7.401 -9.189 1.00 0.00 H new ATOM 0 HG12 ILE A 128 55.155 9.670 -8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 128 55.540 8.309 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 128 57.472 6.700 -7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 128 57.853 6.758 -9.601 1.00 0.00 H new ATOM 0 HG23 ILE A 128 58.401 8.066 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 128 56.920 10.282 -6.369 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.949 8.964 -6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 128 57.558 10.346 -8.029 1.00 0.00 H new ATOM 598 N THR A 129 58.498 8.481 -11.380 1.00 0.00 N ATOM 599 CA THR A 129 59.305 7.817 -12.399 1.00 0.00 C ATOM 600 C THR A 129 59.871 6.506 -11.861 1.00 0.00 C ATOM 601 O THR A 129 59.984 6.311 -10.651 1.00 0.00 O ATOM 602 CB THR A 129 60.461 8.718 -12.837 1.00 0.00 C ATOM 603 OG1 THR A 129 60.788 9.610 -11.781 1.00 0.00 O ATOM 604 CG2 THR A 129 60.045 9.516 -14.073 1.00 0.00 C ATOM 0 H THR A 129 59.023 9.087 -10.749 1.00 0.00 H new ATOM 0 HA THR A 129 58.663 7.610 -13.255 1.00 0.00 H new ATOM 0 HB THR A 129 61.330 8.107 -13.078 1.00 0.00 H new ATOM 0 HG1 THR A 129 61.530 10.187 -12.058 1.00 0.00 H new ATOM 0 HG21 THR A 129 60.868 10.158 -14.386 1.00 0.00 H new ATOM 0 HG22 THR A 129 59.793 8.830 -14.881 1.00 0.00 H new ATOM 0 HG23 THR A 129 59.176 10.130 -13.834 1.00 0.00 H new ATOM 612 N GLU A 130 60.223 5.609 -12.778 1.00 0.00 N ATOM 613 CA GLU A 130 60.776 4.313 -12.391 1.00 0.00 C ATOM 614 C GLU A 130 61.971 4.494 -11.461 1.00 0.00 C ATOM 615 O GLU A 130 62.134 3.760 -10.487 1.00 0.00 O ATOM 616 CB GLU A 130 61.223 3.532 -13.628 1.00 0.00 C ATOM 617 CG GLU A 130 60.146 2.513 -14.004 1.00 0.00 C ATOM 618 CD GLU A 130 59.397 2.999 -15.240 1.00 0.00 C ATOM 619 OE1 GLU A 130 59.532 4.166 -15.569 1.00 0.00 O ATOM 620 OE2 GLU A 130 58.700 2.197 -15.840 1.00 0.00 O ATOM 0 H GLU A 130 60.137 5.752 -13.784 1.00 0.00 H new ATOM 0 HA GLU A 130 59.995 3.758 -11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 130 61.398 4.215 -14.459 1.00 0.00 H new ATOM 0 HB3 GLU A 130 62.166 3.023 -13.429 1.00 0.00 H new ATOM 0 HG2 GLU A 130 60.601 1.542 -14.200 1.00 0.00 H new ATOM 0 HG3 GLU A 130 59.452 2.378 -13.174 1.00 0.00 H new ATOM 627 N ASP A 131 62.806 5.480 -11.775 1.00 0.00 N ATOM 628 CA ASP A 131 63.989 5.751 -10.963 1.00 0.00 C ATOM 629 C ASP A 131 63.617 5.841 -9.486 1.00 0.00 C ATOM 630 O ASP A 131 64.400 5.476 -8.611 1.00 0.00 O ATOM 631 CB ASP A 131 64.643 7.067 -11.389 1.00 0.00 C ATOM 632 CG ASP A 131 65.410 6.859 -12.690 1.00 0.00 C ATOM 633 OD1 ASP A 131 65.522 5.721 -13.112 1.00 0.00 O ATOM 634 OD2 ASP A 131 65.875 7.842 -13.244 1.00 0.00 O ATOM 0 H ASP A 131 62.688 6.099 -12.577 1.00 0.00 H new ATOM 0 HA ASP A 131 64.690 4.930 -11.112 1.00 0.00 H new ATOM 0 HB2 ASP A 131 63.882 7.836 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 131 65.318 7.418 -10.609 1.00 0.00 H new ATOM 639 N ASP A 132 62.414 6.340 -9.220 1.00 0.00 N ATOM 640 CA ASP A 132 61.947 6.485 -7.843 1.00 0.00 C ATOM 641 C ASP A 132 61.687 5.121 -7.209 1.00 0.00 C ATOM 642 O ASP A 132 61.714 4.976 -5.987 1.00 0.00 O ATOM 643 CB ASP A 132 60.656 7.306 -7.803 1.00 0.00 C ATOM 644 CG ASP A 132 60.958 8.706 -7.278 1.00 0.00 C ATOM 645 OD1 ASP A 132 61.627 8.806 -6.263 1.00 0.00 O ATOM 646 OD2 ASP A 132 60.514 9.658 -7.899 1.00 0.00 O ATOM 0 H ASP A 132 61.750 6.648 -9.930 1.00 0.00 H new ATOM 0 HA ASP A 132 62.727 6.998 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 132 60.220 7.366 -8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 132 59.921 6.817 -7.163 1.00 0.00 H new ATOM 651 N ILE A 133 61.425 4.126 -8.050 1.00 0.00 N ATOM 652 CA ILE A 133 61.151 2.778 -7.555 1.00 0.00 C ATOM 653 C ILE A 133 62.442 1.979 -7.391 1.00 0.00 C ATOM 654 O ILE A 133 62.656 1.324 -6.371 1.00 0.00 O ATOM 655 CB ILE A 133 60.228 2.029 -8.517 1.00 0.00 C ATOM 656 CG1 ILE A 133 58.896 2.774 -8.634 1.00 0.00 C ATOM 657 CG2 ILE A 133 59.976 0.617 -7.985 1.00 0.00 C ATOM 658 CD1 ILE A 133 58.628 3.111 -10.101 1.00 0.00 C ATOM 0 H ILE A 133 61.396 4.223 -9.065 1.00 0.00 H new ATOM 0 HA ILE A 133 60.667 2.881 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 133 60.698 1.971 -9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 133 58.088 2.160 -8.237 1.00 0.00 H new ATOM 0 HG13 ILE A 133 58.924 3.687 -8.039 1.00 0.00 H new ATOM 0 HG21 ILE A 133 59.318 0.082 -8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 133 60.924 0.085 -7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 133 59.506 0.677 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 133 57.680 3.642 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 133 59.431 3.741 -10.482 1.00 0.00 H new ATOM 0 HD13 ILE A 133 58.582 2.191 -10.683 1.00 0.00 H new ATOM 670 N GLU A 134 63.291 2.025 -8.414 1.00 0.00 N ATOM 671 CA GLU A 134 64.551 1.283 -8.382 1.00 0.00 C ATOM 672 C GLU A 134 65.606 2.009 -7.550 1.00 0.00 C ATOM 673 O GLU A 134 66.272 1.406 -6.708 1.00 0.00 O ATOM 674 CB GLU A 134 65.088 1.089 -9.802 1.00 0.00 C ATOM 675 CG GLU A 134 65.924 -0.191 -9.862 1.00 0.00 C ATOM 676 CD GLU A 134 67.094 0.010 -10.820 1.00 0.00 C ATOM 677 OE1 GLU A 134 67.823 0.972 -10.640 1.00 0.00 O ATOM 678 OE2 GLU A 134 67.243 -0.800 -11.719 1.00 0.00 O ATOM 0 H GLU A 134 63.134 2.561 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 134 64.347 0.315 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 134 64.261 1.029 -10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 134 65.695 1.946 -10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 134 66.293 -0.444 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 134 65.307 -1.026 -10.195 1.00 0.00 H new ATOM 685 N GLU A 135 65.764 3.304 -7.803 1.00 0.00 N ATOM 686 CA GLU A 135 66.758 4.097 -7.080 1.00 0.00 C ATOM 687 C GLU A 135 66.498 4.073 -5.575 1.00 0.00 C ATOM 688 O GLU A 135 67.425 3.939 -4.775 1.00 0.00 O ATOM 689 CB GLU A 135 66.740 5.549 -7.562 1.00 0.00 C ATOM 690 CG GLU A 135 68.013 6.258 -7.096 1.00 0.00 C ATOM 691 CD GLU A 135 68.017 7.691 -7.619 1.00 0.00 C ATOM 692 OE1 GLU A 135 67.224 8.480 -7.133 1.00 0.00 O ATOM 693 OE2 GLU A 135 68.813 7.978 -8.498 1.00 0.00 O ATOM 0 H GLU A 135 65.224 3.824 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 135 67.734 3.654 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 135 66.670 5.581 -8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 135 65.861 6.062 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 135 68.065 6.257 -6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 135 68.892 5.725 -7.458 1.00 0.00 H new ATOM 700 N LEU A 136 65.231 4.214 -5.196 1.00 0.00 N ATOM 701 CA LEU A 136 64.868 4.218 -3.780 1.00 0.00 C ATOM 702 C LEU A 136 64.974 2.817 -3.184 1.00 0.00 C ATOM 703 O LEU A 136 65.334 2.649 -2.019 1.00 0.00 O ATOM 704 CB LEU A 136 63.437 4.728 -3.596 1.00 0.00 C ATOM 705 CG LEU A 136 63.372 5.643 -2.372 1.00 0.00 C ATOM 706 CD1 LEU A 136 62.507 6.863 -2.692 1.00 0.00 C ATOM 707 CD2 LEU A 136 62.758 4.879 -1.197 1.00 0.00 C ATOM 0 H LEU A 136 64.447 4.326 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 136 65.564 4.880 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 136 63.116 5.270 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 136 62.754 3.888 -3.471 1.00 0.00 H new ATOM 0 HG LEU A 136 64.378 5.969 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 136 62.461 7.515 -1.820 1.00 0.00 H new ATOM 0 HD12 LEU A 136 62.942 7.408 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 136 61.501 6.537 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 136 62.711 5.530 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 136 61.752 4.553 -1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 136 63.373 4.009 -0.968 1.00 0.00 H new ATOM 719 N MET A 137 64.650 1.813 -3.992 1.00 0.00 N ATOM 720 CA MET A 137 64.707 0.428 -3.528 1.00 0.00 C ATOM 721 C MET A 137 66.019 0.154 -2.799 1.00 0.00 C ATOM 722 O MET A 137 66.047 -0.541 -1.783 1.00 0.00 O ATOM 723 CB MET A 137 64.583 -0.540 -4.706 1.00 0.00 C ATOM 724 CG MET A 137 64.133 -1.911 -4.195 1.00 0.00 C ATOM 725 SD MET A 137 65.198 -3.196 -4.897 1.00 0.00 S ATOM 726 CE MET A 137 64.366 -4.618 -4.147 1.00 0.00 C ATOM 0 H MET A 137 64.349 1.927 -4.960 1.00 0.00 H new ATOM 0 HA MET A 137 63.874 0.276 -2.842 1.00 0.00 H new ATOM 0 HB2 MET A 137 63.865 -0.157 -5.431 1.00 0.00 H new ATOM 0 HB3 MET A 137 65.540 -0.628 -5.220 1.00 0.00 H new ATOM 0 HG2 MET A 137 64.181 -1.939 -3.106 1.00 0.00 H new ATOM 0 HG3 MET A 137 63.095 -2.092 -4.473 1.00 0.00 H new ATOM 0 HE1 MET A 137 64.868 -5.536 -4.452 1.00 0.00 H new ATOM 0 HE2 MET A 137 64.401 -4.529 -3.061 1.00 0.00 H new ATOM 0 HE3 MET A 137 63.327 -4.647 -4.475 1.00 0.00 H new ATOM 736 N LYS A 138 67.108 0.703 -3.331 1.00 0.00 N ATOM 737 CA LYS A 138 68.423 0.504 -2.726 1.00 0.00 C ATOM 738 C LYS A 138 68.610 1.419 -1.519 1.00 0.00 C ATOM 739 O LYS A 138 69.441 1.159 -0.649 1.00 0.00 O ATOM 740 CB LYS A 138 69.530 0.793 -3.742 1.00 0.00 C ATOM 741 CG LYS A 138 69.690 -0.405 -4.679 1.00 0.00 C ATOM 742 CD LYS A 138 71.106 -0.970 -4.548 1.00 0.00 C ATOM 743 CE LYS A 138 71.105 -2.451 -4.930 1.00 0.00 C ATOM 744 NZ LYS A 138 72.221 -2.720 -5.880 1.00 0.00 N ATOM 0 H LYS A 138 67.108 1.283 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 138 68.484 -0.535 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 138 69.287 1.687 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 138 70.469 0.992 -3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 138 68.956 -1.173 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 138 69.502 -0.102 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 138 71.790 -0.418 -5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 138 71.464 -0.848 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 138 71.216 -3.068 -4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 138 70.152 -2.719 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 72.221 -3.727 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 72.096 -2.142 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 73.127 -2.479 -5.429 1.00 0.00 H new ATOM 758 N ASP A 139 67.831 2.497 -1.477 1.00 0.00 N ATOM 759 CA ASP A 139 67.925 3.449 -0.373 1.00 0.00 C ATOM 760 C ASP A 139 67.493 2.800 0.939 1.00 0.00 C ATOM 761 O ASP A 139 67.830 3.275 2.023 1.00 0.00 O ATOM 762 CB ASP A 139 67.039 4.669 -0.640 1.00 0.00 C ATOM 763 CG ASP A 139 67.890 5.802 -1.202 1.00 0.00 C ATOM 764 OD1 ASP A 139 69.102 5.723 -1.083 1.00 0.00 O ATOM 765 OD2 ASP A 139 67.317 6.734 -1.743 1.00 0.00 O ATOM 0 H ASP A 139 67.136 2.732 -2.185 1.00 0.00 H new ATOM 0 HA ASP A 139 68.966 3.764 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 139 66.248 4.410 -1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 139 66.553 4.988 0.282 1.00 0.00 H new ATOM 770 N GLY A 140 66.742 1.707 0.830 1.00 0.00 N ATOM 771 CA GLY A 140 66.269 1.001 2.018 1.00 0.00 C ATOM 772 C GLY A 140 66.718 -0.456 2.001 1.00 0.00 C ATOM 773 O GLY A 140 66.248 -1.274 2.792 1.00 0.00 O ATOM 0 H GLY A 140 66.451 1.295 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 140 66.650 1.492 2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 140 65.181 1.050 2.066 1.00 0.00 H new ATOM 777 N ASP A 141 67.634 -0.773 1.090 1.00 0.00 N ATOM 778 CA ASP A 141 68.139 -2.138 0.979 1.00 0.00 C ATOM 779 C ASP A 141 69.587 -2.209 1.455 1.00 0.00 C ATOM 780 O ASP A 141 70.464 -2.707 0.749 1.00 0.00 O ATOM 781 CB ASP A 141 68.066 -2.620 -0.471 1.00 0.00 C ATOM 782 CG ASP A 141 67.403 -3.992 -0.519 1.00 0.00 C ATOM 783 OD1 ASP A 141 66.184 -4.039 -0.496 1.00 0.00 O ATOM 784 OD2 ASP A 141 68.123 -4.976 -0.577 1.00 0.00 O ATOM 0 H ASP A 141 68.038 -0.113 0.426 1.00 0.00 H new ATOM 0 HA ASP A 141 67.518 -2.779 1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 141 67.500 -1.910 -1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 141 69.067 -2.673 -0.898 1.00 0.00 H new ATOM 789 N LYS A 142 69.826 -1.706 2.662 1.00 0.00 N ATOM 790 CA LYS A 142 71.173 -1.718 3.226 1.00 0.00 C ATOM 791 C LYS A 142 71.646 -3.152 3.440 1.00 0.00 C ATOM 792 O LYS A 142 72.780 -3.503 3.113 1.00 0.00 O ATOM 793 CB LYS A 142 71.203 -0.977 4.564 1.00 0.00 C ATOM 794 CG LYS A 142 71.728 0.445 4.349 1.00 0.00 C ATOM 795 CD LYS A 142 72.068 1.074 5.701 1.00 0.00 C ATOM 796 CE LYS A 142 73.520 1.556 5.691 1.00 0.00 C ATOM 797 NZ LYS A 142 73.671 2.655 4.696 1.00 0.00 N ATOM 0 H LYS A 142 69.115 -1.290 3.263 1.00 0.00 H new ATOM 0 HA LYS A 142 71.837 -1.217 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 142 70.203 -0.945 4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 142 71.840 -1.508 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 142 72.613 0.425 3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 142 70.979 1.047 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 142 71.398 1.910 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 142 71.921 0.347 6.499 1.00 0.00 H new ATOM 0 HE2 LYS A 142 73.805 1.907 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 142 74.187 0.731 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 74.518 3.214 4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 73.768 2.250 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 72.832 3.269 4.727 1.00 0.00 H new ATOM 811 N ASN A 143 70.763 -3.979 3.996 1.00 0.00 N ATOM 812 CA ASN A 143 71.101 -5.378 4.253 1.00 0.00 C ATOM 813 C ASN A 143 71.518 -6.074 2.959 1.00 0.00 C ATOM 814 O ASN A 143 72.137 -7.138 2.981 1.00 0.00 O ATOM 815 CB ASN A 143 69.905 -6.117 4.867 1.00 0.00 C ATOM 816 CG ASN A 143 68.882 -6.450 3.782 1.00 0.00 C ATOM 817 OD1 ASN A 143 68.400 -7.580 3.703 1.00 0.00 O ATOM 818 ND2 ASN A 143 68.519 -5.526 2.935 1.00 0.00 N ATOM 0 H ASN A 143 69.819 -3.710 4.274 1.00 0.00 H new ATOM 0 HA ASN A 143 71.934 -5.400 4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 143 70.243 -7.032 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 143 69.442 -5.500 5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 143 67.836 -5.740 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 143 68.918 -4.590 3.000 1.00 0.00 H new ATOM 825 N ASN A 144 71.170 -5.459 1.832 1.00 0.00 N ATOM 826 CA ASN A 144 71.512 -6.023 0.528 1.00 0.00 C ATOM 827 C ASN A 144 70.965 -7.441 0.399 1.00 0.00 C ATOM 828 O ASN A 144 71.719 -8.403 0.257 1.00 0.00 O ATOM 829 CB ASN A 144 73.030 -6.055 0.340 1.00 0.00 C ATOM 830 CG ASN A 144 73.357 -6.502 -1.081 1.00 0.00 C ATOM 831 OD1 ASN A 144 73.866 -5.644 -1.921 1.00 0.00 O flip ATOM 832 ND2 ASN A 144 73.143 -7.661 -1.438 1.00 0.00 N flip ATOM 0 H ASN A 144 70.656 -4.579 1.794 1.00 0.00 H new ATOM 0 HA ASN A 144 71.065 -5.391 -0.239 1.00 0.00 H new ATOM 0 HB2 ASN A 144 73.451 -5.067 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 144 73.482 -6.737 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 144 72.745 -8.332 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 144 73.364 -7.950 -2.391 1.00 0.00 H new ATOM 839 N ASP A 145 69.641 -7.557 0.450 1.00 0.00 N ATOM 840 CA ASP A 145 68.994 -8.863 0.339 1.00 0.00 C ATOM 841 C ASP A 145 68.052 -8.899 -0.861 1.00 0.00 C ATOM 842 O ASP A 145 67.731 -9.967 -1.383 1.00 0.00 O ATOM 843 CB ASP A 145 68.196 -9.171 1.607 1.00 0.00 C ATOM 844 CG ASP A 145 67.451 -10.490 1.432 1.00 0.00 C ATOM 845 OD1 ASP A 145 68.105 -11.487 1.171 1.00 0.00 O ATOM 846 OD2 ASP A 145 66.238 -10.484 1.560 1.00 0.00 O ATOM 0 H ASP A 145 69.000 -6.772 0.566 1.00 0.00 H new ATOM 0 HA ASP A 145 69.774 -9.612 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 145 68.865 -9.230 2.465 1.00 0.00 H new ATOM 0 HB3 ASP A 145 67.489 -8.366 1.809 1.00 0.00 H new ATOM 851 N GLY A 146 67.609 -7.721 -1.293 1.00 0.00 N ATOM 852 CA GLY A 146 66.701 -7.632 -2.433 1.00 0.00 C ATOM 853 C GLY A 146 65.253 -7.558 -1.963 1.00 0.00 C ATOM 854 O GLY A 146 64.371 -8.217 -2.514 1.00 0.00 O ATOM 0 H GLY A 146 67.860 -6.824 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 146 66.941 -6.751 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 146 66.835 -8.499 -3.080 1.00 0.00 H new ATOM 858 N ARG A 147 65.020 -6.748 -0.935 1.00 0.00 N ATOM 859 CA ARG A 147 63.674 -6.591 -0.391 1.00 0.00 C ATOM 860 C ARG A 147 63.700 -5.671 0.826 1.00 0.00 C ATOM 861 O ARG A 147 64.711 -5.034 1.119 1.00 0.00 O ATOM 862 CB ARG A 147 63.105 -7.949 0.024 1.00 0.00 C ATOM 863 CG ARG A 147 64.073 -8.631 0.993 1.00 0.00 C ATOM 864 CD ARG A 147 63.481 -9.961 1.457 1.00 0.00 C ATOM 865 NE ARG A 147 63.975 -11.060 0.632 1.00 0.00 N ATOM 866 CZ ARG A 147 63.819 -12.324 1.013 1.00 0.00 C ATOM 867 NH1 ARG A 147 63.222 -12.595 2.141 1.00 0.00 N ATOM 868 NH2 ARG A 147 64.264 -13.293 0.260 1.00 0.00 N ATOM 0 H ARG A 147 65.737 -6.195 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 147 63.043 -6.155 -1.166 1.00 0.00 H new ATOM 0 HB2 ARG A 147 62.132 -7.819 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 147 62.951 -8.575 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 147 65.033 -8.799 0.506 1.00 0.00 H new ATOM 0 HG3 ARG A 147 64.260 -7.985 1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 147 63.742 -10.137 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 147 62.393 -9.919 1.403 1.00 0.00 H new ATOM 0 HE ARG A 147 64.446 -10.855 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 147 62.876 -11.837 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 147 63.102 -13.564 2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 147 64.732 -13.080 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 147 64.144 -14.263 0.553 1.00 0.00 H new ATOM 882 N ILE A 148 62.574 -5.609 1.531 1.00 0.00 N ATOM 883 CA ILE A 148 62.477 -4.763 2.716 1.00 0.00 C ATOM 884 C ILE A 148 62.169 -5.609 3.949 1.00 0.00 C ATOM 885 O ILE A 148 61.356 -6.531 3.899 1.00 0.00 O ATOM 886 CB ILE A 148 61.373 -3.722 2.534 1.00 0.00 C ATOM 887 CG1 ILE A 148 61.755 -2.768 1.400 1.00 0.00 C ATOM 888 CG2 ILE A 148 61.198 -2.931 3.830 1.00 0.00 C ATOM 889 CD1 ILE A 148 63.100 -2.113 1.715 1.00 0.00 C ATOM 0 H ILE A 148 61.725 -6.128 1.306 1.00 0.00 H new ATOM 0 HA ILE A 148 63.433 -4.258 2.854 1.00 0.00 H new ATOM 0 HB ILE A 148 60.437 -4.224 2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 148 61.816 -3.312 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 148 60.986 -2.005 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 148 60.411 -2.189 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 148 60.926 -3.611 4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 148 62.133 -2.428 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 148 63.372 -1.434 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 148 63.023 -1.555 2.648 1.00 0.00 H new ATOM 0 HD13 ILE A 148 63.865 -2.883 1.815 1.00 0.00 H new ATOM 901 N ASP A 149 62.831 -5.284 5.058 1.00 0.00 N ATOM 902 CA ASP A 149 62.623 -6.023 6.302 1.00 0.00 C ATOM 903 C ASP A 149 62.250 -5.072 7.435 1.00 0.00 C ATOM 904 O ASP A 149 62.380 -3.854 7.312 1.00 0.00 O ATOM 905 CB ASP A 149 63.891 -6.785 6.693 1.00 0.00 C ATOM 906 CG ASP A 149 63.546 -7.853 7.726 1.00 0.00 C ATOM 907 OD1 ASP A 149 62.370 -8.030 7.996 1.00 0.00 O ATOM 908 OD2 ASP A 149 64.464 -8.477 8.233 1.00 0.00 O ATOM 0 H ASP A 149 63.508 -4.524 5.121 1.00 0.00 H new ATOM 0 HA ASP A 149 61.810 -6.730 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 149 64.336 -7.247 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 149 64.631 -6.096 7.100 1.00 0.00 H new ATOM 913 N TYR A 150 61.788 -5.645 8.543 1.00 0.00 N ATOM 914 CA TYR A 150 61.398 -4.844 9.700 1.00 0.00 C ATOM 915 C TYR A 150 62.458 -3.790 9.998 1.00 0.00 C ATOM 916 O TYR A 150 62.223 -2.592 9.842 1.00 0.00 O ATOM 917 CB TYR A 150 61.224 -5.732 10.934 1.00 0.00 C ATOM 918 CG TYR A 150 60.183 -5.127 11.847 1.00 0.00 C ATOM 919 CD1 TYR A 150 58.894 -4.872 11.365 1.00 0.00 C ATOM 920 CD2 TYR A 150 60.507 -4.823 13.174 1.00 0.00 C ATOM 921 CE1 TYR A 150 57.928 -4.313 12.211 1.00 0.00 C ATOM 922 CE2 TYR A 150 59.542 -4.264 14.020 1.00 0.00 C ATOM 923 CZ TYR A 150 58.252 -4.008 13.539 1.00 0.00 C ATOM 924 OH TYR A 150 57.300 -3.457 14.373 1.00 0.00 O ATOM 0 H TYR A 150 61.675 -6.651 8.664 1.00 0.00 H new ATOM 0 HA TYR A 150 60.452 -4.356 9.466 1.00 0.00 H new ATOM 0 HB2 TYR A 150 60.921 -6.735 10.634 1.00 0.00 H new ATOM 0 HB3 TYR A 150 62.173 -5.830 11.461 1.00 0.00 H new ATOM 0 HD1 TYR A 150 58.644 -5.106 10.341 1.00 0.00 H new ATOM 0 HD2 TYR A 150 61.502 -5.020 13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 150 56.933 -4.117 11.839 1.00 0.00 H new ATOM 0 HE2 TYR A 150 59.792 -4.030 15.044 1.00 0.00 H new ATOM 0 HH TYR A 150 57.689 -3.308 15.260 1.00 0.00 H new ATOM 934 N ASP A 151 63.628 -4.250 10.430 1.00 0.00 N ATOM 935 CA ASP A 151 64.723 -3.338 10.749 1.00 0.00 C ATOM 936 C ASP A 151 64.805 -2.221 9.714 1.00 0.00 C ATOM 937 O ASP A 151 64.582 -1.050 10.024 1.00 0.00 O ATOM 938 CB ASP A 151 66.056 -4.090 10.778 1.00 0.00 C ATOM 939 CG ASP A 151 66.414 -4.435 12.220 1.00 0.00 C ATOM 940 OD1 ASP A 151 65.638 -4.100 13.099 1.00 0.00 O ATOM 941 OD2 ASP A 151 67.460 -5.029 12.423 1.00 0.00 O ATOM 0 H ASP A 151 63.842 -5.238 10.566 1.00 0.00 H new ATOM 0 HA ASP A 151 64.527 -2.909 11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 151 65.985 -5.000 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 151 66.841 -3.478 10.334 1.00 0.00 H new ATOM 946 N GLU A 152 65.128 -2.597 8.481 1.00 0.00 N ATOM 947 CA GLU A 152 65.240 -1.624 7.399 1.00 0.00 C ATOM 948 C GLU A 152 63.990 -0.752 7.334 1.00 0.00 C ATOM 949 O GLU A 152 64.071 0.471 7.225 1.00 0.00 O ATOM 950 CB GLU A 152 65.419 -2.339 6.058 1.00 0.00 C ATOM 951 CG GLU A 152 66.439 -3.470 6.210 1.00 0.00 C ATOM 952 CD GLU A 152 66.883 -3.946 4.831 1.00 0.00 C ATOM 953 OE1 GLU A 152 67.715 -3.281 4.236 1.00 0.00 O ATOM 954 OE2 GLU A 152 66.384 -4.968 4.390 1.00 0.00 O ATOM 0 H GLU A 152 65.316 -3.561 8.207 1.00 0.00 H new ATOM 0 HA GLU A 152 66.109 -0.997 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 152 64.464 -2.740 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 152 65.755 -1.632 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 152 67.300 -3.123 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 152 66.000 -4.297 6.768 1.00 0.00 H new ATOM 961 N PHE A 153 62.832 -1.402 7.399 1.00 0.00 N ATOM 962 CA PHE A 153 61.558 -0.691 7.343 1.00 0.00 C ATOM 963 C PHE A 153 61.339 0.129 8.613 1.00 0.00 C ATOM 964 O PHE A 153 60.480 1.010 8.660 1.00 0.00 O ATOM 965 CB PHE A 153 60.408 -1.691 7.190 1.00 0.00 C ATOM 966 CG PHE A 153 59.136 -0.959 6.840 1.00 0.00 C ATOM 967 CD1 PHE A 153 58.836 -0.674 5.503 1.00 0.00 C ATOM 968 CD2 PHE A 153 58.251 -0.571 7.854 1.00 0.00 C ATOM 969 CE1 PHE A 153 57.653 0.001 5.179 1.00 0.00 C ATOM 970 CE2 PHE A 153 57.068 0.102 7.530 1.00 0.00 C ATOM 971 CZ PHE A 153 56.769 0.389 6.193 1.00 0.00 C ATOM 0 H PHE A 153 62.749 -2.415 7.490 1.00 0.00 H new ATOM 0 HA PHE A 153 61.582 -0.019 6.485 1.00 0.00 H new ATOM 0 HB2 PHE A 153 60.646 -2.417 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 153 60.274 -2.249 8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 153 59.517 -0.975 4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 153 58.482 -0.791 8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 153 57.422 0.222 4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 153 56.385 0.400 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 153 55.856 0.910 5.944 1.00 0.00 H new ATOM 981 N LEU A 154 62.119 -0.178 9.646 1.00 0.00 N ATOM 982 CA LEU A 154 61.998 0.527 10.921 1.00 0.00 C ATOM 983 C LEU A 154 62.642 1.911 10.856 1.00 0.00 C ATOM 984 O LEU A 154 62.005 2.920 11.156 1.00 0.00 O ATOM 985 CB LEU A 154 62.665 -0.276 12.040 1.00 0.00 C ATOM 986 CG LEU A 154 61.597 -0.788 13.008 1.00 0.00 C ATOM 987 CD1 LEU A 154 61.007 0.388 13.788 1.00 0.00 C ATOM 988 CD2 LEU A 154 60.486 -1.483 12.217 1.00 0.00 C ATOM 0 H LEU A 154 62.836 -0.903 9.627 1.00 0.00 H new ATOM 0 HA LEU A 154 60.934 0.641 11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 154 63.221 -1.114 11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 154 63.383 0.348 12.571 1.00 0.00 H new ATOM 0 HG LEU A 154 62.047 -1.495 13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 154 60.246 0.022 14.477 1.00 0.00 H new ATOM 0 HD12 LEU A 154 61.798 0.885 14.350 1.00 0.00 H new ATOM 0 HD13 LEU A 154 60.556 1.096 13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 154 59.724 -1.849 12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 154 60.037 -0.774 11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 154 60.905 -2.322 11.661 1.00 0.00 H new ATOM 1000 N GLU A 155 63.918 1.947 10.480 1.00 0.00 N ATOM 1001 CA GLU A 155 64.646 3.214 10.401 1.00 0.00 C ATOM 1002 C GLU A 155 64.253 4.005 9.156 1.00 0.00 C ATOM 1003 O GLU A 155 64.601 5.177 9.019 1.00 0.00 O ATOM 1004 CB GLU A 155 66.155 2.962 10.369 1.00 0.00 C ATOM 1005 CG GLU A 155 66.564 2.148 11.597 1.00 0.00 C ATOM 1006 CD GLU A 155 67.972 2.548 12.025 1.00 0.00 C ATOM 1007 OE1 GLU A 155 68.210 3.736 12.171 1.00 0.00 O ATOM 1008 OE2 GLU A 155 68.791 1.662 12.197 1.00 0.00 O ATOM 0 H GLU A 155 64.466 1.124 10.228 1.00 0.00 H new ATOM 0 HA GLU A 155 64.384 3.794 11.286 1.00 0.00 H new ATOM 0 HB2 GLU A 155 66.426 2.427 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 155 66.692 3.910 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 155 65.861 2.321 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 155 66.531 1.083 11.368 1.00 0.00 H new ATOM 1015 N PHE A 156 63.531 3.358 8.247 1.00 0.00 N ATOM 1016 CA PHE A 156 63.110 4.027 7.019 1.00 0.00 C ATOM 1017 C PHE A 156 61.843 4.841 7.258 1.00 0.00 C ATOM 1018 O PHE A 156 61.662 5.918 6.691 1.00 0.00 O ATOM 1019 CB PHE A 156 62.847 3.006 5.911 1.00 0.00 C ATOM 1020 CG PHE A 156 63.215 3.608 4.577 1.00 0.00 C ATOM 1021 CD1 PHE A 156 62.477 4.681 4.066 1.00 0.00 C ATOM 1022 CD2 PHE A 156 64.296 3.093 3.851 1.00 0.00 C ATOM 1023 CE1 PHE A 156 62.818 5.241 2.830 1.00 0.00 C ATOM 1024 CE2 PHE A 156 64.638 3.653 2.615 1.00 0.00 C ATOM 1025 CZ PHE A 156 63.899 4.727 2.104 1.00 0.00 C ATOM 0 H PHE A 156 63.229 2.388 8.333 1.00 0.00 H new ATOM 0 HA PHE A 156 63.915 4.694 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 156 63.430 2.102 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 156 61.797 2.713 5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 156 61.643 5.078 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 156 64.865 2.264 4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 156 62.248 6.069 2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 156 65.472 3.257 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 156 64.163 5.159 1.150 1.00 0.00 H new ATOM 1035 N MET A 157 60.965 4.309 8.103 1.00 0.00 N ATOM 1036 CA MET A 157 59.711 4.990 8.413 1.00 0.00 C ATOM 1037 C MET A 157 59.369 4.825 9.890 1.00 0.00 C ATOM 1038 O MET A 157 58.557 3.979 10.264 1.00 0.00 O ATOM 1039 CB MET A 157 58.572 4.416 7.569 1.00 0.00 C ATOM 1040 CG MET A 157 58.555 2.893 7.704 1.00 0.00 C ATOM 1041 SD MET A 157 59.395 2.152 6.282 1.00 0.00 S ATOM 1042 CE MET A 157 58.405 2.946 4.992 1.00 0.00 C ATOM 0 H MET A 157 61.096 3.418 8.581 1.00 0.00 H new ATOM 0 HA MET A 157 59.834 6.049 8.185 1.00 0.00 H new ATOM 0 HB2 MET A 157 57.618 4.831 7.895 1.00 0.00 H new ATOM 0 HB3 MET A 157 58.702 4.698 6.524 1.00 0.00 H new ATOM 0 HG2 MET A 157 59.049 2.594 8.628 1.00 0.00 H new ATOM 0 HG3 MET A 157 57.528 2.534 7.761 1.00 0.00 H new ATOM 0 HE1 MET A 157 58.369 2.303 4.113 1.00 0.00 H new ATOM 0 HE2 MET A 157 57.393 3.113 5.361 1.00 0.00 H new ATOM 0 HE3 MET A 157 58.856 3.902 4.724 1.00 0.00 H new ATOM 1052 N LYS A 158 60.002 5.643 10.726 1.00 0.00 N ATOM 1053 CA LYS A 158 59.763 5.580 12.166 1.00 0.00 C ATOM 1054 C LYS A 158 58.505 6.360 12.538 1.00 0.00 C ATOM 1055 O LYS A 158 58.530 7.222 13.416 1.00 0.00 O ATOM 1056 CB LYS A 158 60.952 6.161 12.934 1.00 0.00 C ATOM 1057 CG LYS A 158 61.773 5.023 13.542 1.00 0.00 C ATOM 1058 CD LYS A 158 63.258 5.389 13.504 1.00 0.00 C ATOM 1059 CE LYS A 158 63.488 6.677 14.297 1.00 0.00 C ATOM 1060 NZ LYS A 158 64.361 7.595 13.511 1.00 0.00 N ATOM 0 H LYS A 158 60.677 6.350 10.436 1.00 0.00 H new ATOM 0 HA LYS A 158 59.632 4.532 12.435 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.575 6.756 12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 158 60.599 6.829 13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 158 61.458 4.842 14.570 1.00 0.00 H new ATOM 0 HG3 LYS A 158 61.601 4.100 12.989 1.00 0.00 H new ATOM 0 HD2 LYS A 158 63.854 4.579 13.925 1.00 0.00 H new ATOM 0 HD3 LYS A 158 63.584 5.522 12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 158 62.535 7.160 14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 158 63.953 6.448 15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 64.518 8.471 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 65.275 7.133 13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 63.900 7.822 12.607 1.00 0.00 H new ATOM 1074 N GLY A 159 57.403 6.045 11.862 1.00 0.00 N ATOM 1075 CA GLY A 159 56.136 6.720 12.135 1.00 0.00 C ATOM 1076 C GLY A 159 55.843 7.785 11.083 1.00 0.00 C ATOM 1077 O GLY A 159 55.614 8.951 11.407 1.00 0.00 O ATOM 0 H GLY A 159 57.360 5.336 11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 159 55.327 5.989 12.152 1.00 0.00 H new ATOM 0 HA3 GLY A 159 56.171 7.180 13.123 1.00 0.00 H new ATOM 1081 N VAL A 160 55.847 7.371 9.819 1.00 0.00 N ATOM 1082 CA VAL A 160 55.575 8.298 8.725 1.00 0.00 C ATOM 1083 C VAL A 160 54.319 7.873 7.971 1.00 0.00 C ATOM 1084 O VAL A 160 54.037 6.683 7.828 1.00 0.00 O ATOM 1085 CB VAL A 160 56.752 8.334 7.751 1.00 0.00 C ATOM 1086 CG1 VAL A 160 58.047 8.598 8.522 1.00 0.00 C ATOM 1087 CG2 VAL A 160 56.855 6.991 7.027 1.00 0.00 C ATOM 0 H VAL A 160 56.033 6.411 9.529 1.00 0.00 H new ATOM 0 HA VAL A 160 55.427 9.290 9.151 1.00 0.00 H new ATOM 0 HB VAL A 160 56.595 9.130 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 160 58.886 8.623 7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 160 57.974 9.555 9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 160 58.205 7.804 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 160 57.694 7.016 6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 160 57.011 6.196 7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 160 55.933 6.803 6.476 1.00 0.00 H new ATOM 1097 N GLU A 161 53.567 8.859 7.490 1.00 0.00 N ATOM 1098 CA GLU A 161 52.340 8.576 6.751 1.00 0.00 C ATOM 1099 C GLU A 161 52.636 8.425 5.262 1.00 0.00 C ATOM 1100 O GLU A 161 51.733 8.648 4.473 1.00 0.00 O ATOM 1101 CB GLU A 161 51.325 9.703 6.944 1.00 0.00 C ATOM 1102 CG GLU A 161 49.922 9.192 6.609 1.00 0.00 C ATOM 1103 CD GLU A 161 49.312 10.055 5.510 1.00 0.00 C ATOM 1104 OE1 GLU A 161 49.541 9.752 4.350 1.00 0.00 O ATOM 1105 OE2 GLU A 161 48.625 11.006 5.843 1.00 0.00 O ATOM 1106 OXT GLU A 161 53.762 8.088 4.933 1.00 0.00 O ATOM 0 H GLU A 161 53.782 9.850 7.597 1.00 0.00 H new ATOM 0 HA GLU A 161 51.925 7.644 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 161 51.356 10.062 7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 161 51.578 10.548 6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 161 49.971 8.153 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 161 49.292 9.219 7.498 1.00 0.00 H new TER 1113 GLU A 161 HETATM 1114 CA CA A 2 55.193 -8.308 -0.289 1.00 0.00 CA HETATM 1115 CA CA A 3 66.379 -4.180 2.144 1.00 0.00 CA HETATM 1116 S1 EMD A 1 62.575 1.361 1.412 1.00 0.00 S HETATM 1117 C2 EMD A 1 63.213 1.328 -0.249 1.00 0.00 C HETATM 1118 O2 EMD A 1 64.264 0.738 -0.499 1.00 0.00 O HETATM 1119 N3 EMD A 1 62.506 1.883 -1.225 1.00 0.00 N HETATM 1120 N4 EMD A 1 61.270 2.473 -1.060 1.00 0.00 N HETATM 1121 C5 EMD A 1 60.468 2.580 -0.054 1.00 0.00 C HETATM 1122 C6 EMD A 1 60.835 1.827 1.241 1.00 0.00 C HETATM 1123 C7 EMD A 1 59.998 0.552 1.357 1.00 0.00 C HETATM 1124 C8 EMD A 1 59.423 3.750 -0.036 1.00 0.00 C HETATM 1125 C9 EMD A 1 58.707 4.028 1.137 1.00 0.00 C HETATM 1126 C10 EMD A 1 57.774 5.079 1.162 1.00 0.00 C HETATM 1127 C11 EMD A 1 57.566 5.845 -0.011 1.00 0.00 C HETATM 1128 C12 EMD A 1 58.284 5.561 -1.179 1.00 0.00 C HETATM 1129 C13 EMD A 1 59.213 4.515 -1.191 1.00 0.00 C HETATM 1130 N14 EMD A 1 56.545 6.976 0.027 1.00 0.00 N HETATM 1131 C15 EMD A 1 56.082 7.492 1.384 1.00 0.00 C HETATM 1132 C16 EMD A 1 56.735 6.882 2.607 1.00 0.00 C HETATM 1133 C17 EMD A 1 56.996 5.365 2.457 1.00 0.00 C HETATM 1134 C18 EMD A 1 56.015 7.562 -1.118 1.00 0.00 C HETATM 1135 O18 EMD A 1 56.348 7.190 -2.243 1.00 0.00 O HETATM 1136 C19 EMD A 1 54.993 8.698 -1.035 1.00 0.00 C HETATM 1137 C20 EMD A 1 55.288 9.947 -1.597 1.00 0.00 C HETATM 1138 C21 EMD A 1 54.357 10.993 -1.508 1.00 0.00 C HETATM 1139 O21 EMD A 1 54.699 12.221 -2.086 1.00 0.00 O HETATM 1140 C22 EMD A 1 53.148 10.794 -0.864 1.00 0.00 C HETATM 1141 O22 EMD A 1 52.189 11.806 -0.749 1.00 0.00 O HETATM 1142 C23 EMD A 1 52.848 9.546 -0.299 1.00 0.00 C HETATM 1143 C24 EMD A 1 53.771 8.497 -0.383 1.00 0.00 C HETATM 1144 C25 EMD A 1 55.801 12.417 -3.007 1.00 0.00 C HETATM 1145 C26 EMD A 1 51.146 11.831 0.257 1.00 0.00 C HETATM 0 H263 EMD A 1 50.519 10.945 0.154 1.00 0.00 H new HETATM 0 H262 EMD A 1 51.598 11.842 1.249 1.00 0.00 H new HETATM 0 H261 EMD A 1 50.536 12.724 0.126 1.00 0.00 H new HETATM 0 H253 EMD A 1 56.736 12.138 -2.521 1.00 0.00 H new HETATM 0 H252 EMD A 1 55.652 11.795 -3.890 1.00 0.00 H new HETATM 0 H251 EMD A 1 55.845 13.465 -3.304 1.00 0.00 H new HETATM 0 H172 EMD A 1 56.049 4.826 2.446 1.00 0.00 H new HETATM 0 H171 EMD A 1 57.560 5.000 3.315 1.00 0.00 H new HETATM 0 H162 EMD A 1 57.680 7.391 2.800 1.00 0.00 H new HETATM 0 H161 EMD A 1 56.098 7.052 3.475 1.00 0.00 H new HETATM 0 H152 EMD A 1 56.248 8.569 1.412 1.00 0.00 H new HETATM 0 H151 EMD A 1 55.006 7.333 1.459 1.00 0.00 H new HETATM 0 H9 EMD A 1 58.874 3.428 2.031 1.00 0.00 H new HETATM 0 H73 EMD A 1 60.283 -0.143 0.568 1.00 0.00 H new HETATM 0 H72 EMD A 1 60.172 0.089 2.328 1.00 0.00 H new HETATM 0 H71 EMD A 1 58.941 0.800 1.258 1.00 0.00 H new HETATM 0 H6 EMD A 1 60.625 2.543 2.036 1.00 0.00 H new HETATM 0 H3 EMD A 1 62.905 1.873 -2.164 1.00 0.00 H new HETATM 0 H24 EMD A 1 53.539 7.527 0.058 1.00 0.00 H new HETATM 0 H23 EMD A 1 51.895 9.393 0.206 1.00 0.00 H new HETATM 0 H20 EMD A 1 56.240 10.106 -2.103 1.00 0.00 H new HETATM 0 H13 EMD A 1 59.774 4.295 -2.099 1.00 0.00 H new HETATM 0 H12 EMD A 1 58.119 6.154 -2.078 1.00 0.00 H new