USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 56 MET CE :methyl 176:sc= -0.0305 (180deg=-0.107) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.894 K(o=-0.92,f=-0.11) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.0052) USER MOD Single : A 6 SER OG : rot 49:sc= 0.0879 USER MOD Single : A 8 MET CE :methyl 157:sc= -0.192 (180deg=-0.812) USER MOD Single : A -4 LYS NZ :NH3+ -165:sc= -0.0263 (180deg=-0.232) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl -165:sc= -0.0702 (180deg=-0.41) USER MOD Single : A -7 MET N :NH3+ 178:sc= 0.949 (180deg=0.944) USER MOD Single : A 10 SER OG : rot 18:sc= 0.582 USER MOD Single : A 14 THR OG1 : rot 13:sc= 0.816 USER MOD Single : A 17 GLN : amide:sc= -0.728 K(o=-0.73,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.1) USER MOD Single : A 20 SER OG : rot 72:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00913 X(o=-0.0091,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= -0.0433 (180deg=-0.241) USER MOD Single : A 31 THR OG1 : rot -11:sc= 0.955 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0026) USER MOD Single : A 49 MET CE :methyl 170:sc= -0.285 (180deg=-0.668) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0461) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= -0.0177 (180deg=-0.111) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0635) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -32.294 7.754 37.731 1.00 20.00 N ATOM 2 CA MET A -7 -31.381 8.222 36.659 1.00 20.00 C ATOM 3 C MET A -7 -30.204 8.998 37.235 1.00 20.00 C ATOM 4 O MET A -7 -29.048 8.619 37.045 1.00 20.00 O ATOM 5 CB MET A -7 -32.123 9.100 35.647 1.00 20.00 C ATOM 6 CG MET A -7 -33.223 8.373 34.895 1.00 20.00 C ATOM 7 SD MET A -7 -33.926 9.359 33.558 1.00 20.00 S ATOM 8 CE MET A -7 -34.557 10.766 34.464 1.00 20.00 C ATOM 0 H1 MET A -7 -33.103 7.258 37.306 1.00 20.00 H new ATOM 0 H2 MET A -7 -31.783 7.105 38.363 1.00 20.00 H new ATOM 0 H3 MET A -7 -32.636 8.571 38.277 1.00 20.00 H new ATOM 0 HA MET A -7 -31.003 7.335 36.151 1.00 20.00 H new ATOM 0 HB2 MET A -7 -32.556 9.954 36.169 1.00 20.00 H new ATOM 0 HB3 MET A -7 -31.405 9.496 34.929 1.00 20.00 H new ATOM 0 HG2 MET A -7 -32.824 7.445 34.485 1.00 20.00 H new ATOM 0 HG3 MET A -7 -34.014 8.099 35.593 1.00 20.00 H new ATOM 0 HE1 MET A -7 -35.244 11.328 33.831 1.00 20.00 H new ATOM 0 HE2 MET A -7 -35.084 10.420 35.353 1.00 20.00 H new ATOM 0 HE3 MET A -7 -33.728 11.409 34.760 1.00 20.00 H new ATOM 20 N ASP A -6 -30.511 10.081 37.948 1.00 20.00 N ATOM 21 CA ASP A -6 -29.491 10.981 38.487 1.00 20.00 C ATOM 22 C ASP A -6 -28.519 10.244 39.397 1.00 20.00 C ATOM 23 O ASP A -6 -27.302 10.337 39.230 1.00 20.00 O ATOM 24 CB ASP A -6 -30.139 12.132 39.267 1.00 20.00 C ATOM 25 CG ASP A -6 -30.959 13.053 38.388 1.00 20.00 C ATOM 26 OD1 ASP A -6 -30.371 13.940 37.734 1.00 20.00 O ATOM 27 OD2 ASP A -6 -32.197 12.902 38.352 1.00 20.00 O ATOM 0 H ASP A -6 -31.468 10.359 38.168 1.00 20.00 H new ATOM 0 HA ASP A -6 -28.938 11.383 37.638 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -30.778 11.720 40.048 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -29.360 12.711 39.764 1.00 20.00 H new ATOM 32 N TYR A -5 -29.064 9.512 40.353 1.00 20.00 N ATOM 33 CA TYR A -5 -28.248 8.785 41.311 1.00 20.00 C ATOM 34 C TYR A -5 -27.939 7.391 40.784 1.00 20.00 C ATOM 35 O TYR A -5 -26.821 7.106 40.357 1.00 20.00 O ATOM 36 CB TYR A -5 -28.957 8.692 42.667 1.00 20.00 C ATOM 37 CG TYR A -5 -29.285 10.034 43.278 1.00 20.00 C ATOM 38 CD1 TYR A -5 -28.354 10.704 44.057 1.00 20.00 C ATOM 39 CD2 TYR A -5 -30.525 10.630 43.078 1.00 20.00 C ATOM 40 CE1 TYR A -5 -28.647 11.930 44.621 1.00 20.00 C ATOM 41 CE2 TYR A -5 -30.824 11.857 43.639 1.00 20.00 C ATOM 42 CZ TYR A -5 -29.881 12.501 44.409 1.00 20.00 C ATOM 43 OH TYR A -5 -30.171 13.723 44.969 1.00 20.00 O ATOM 0 H TYR A -5 -30.069 9.405 40.487 1.00 20.00 H new ATOM 0 HA TYR A -5 -27.313 9.328 41.449 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -29.879 8.124 42.546 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -28.326 8.133 43.358 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -27.384 10.260 44.225 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -31.266 10.126 42.475 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -27.911 12.439 45.226 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -31.791 12.308 43.475 1.00 20.00 H new ATOM 0 HH TYR A -5 -31.082 13.988 44.723 1.00 20.00 H new ATOM 53 N LYS A -4 -28.946 6.538 40.792 1.00 20.00 N ATOM 54 CA LYS A -4 -28.803 5.172 40.314 1.00 20.00 C ATOM 55 C LYS A -4 -29.721 4.959 39.116 1.00 20.00 C ATOM 56 O LYS A -4 -30.658 5.740 38.912 1.00 20.00 O ATOM 57 CB LYS A -4 -29.140 4.188 41.444 1.00 20.00 C ATOM 58 CG LYS A -4 -29.034 2.721 41.049 1.00 20.00 C ATOM 59 CD LYS A -4 -29.464 1.798 42.181 1.00 20.00 C ATOM 60 CE LYS A -4 -28.500 1.852 43.357 1.00 20.00 C ATOM 61 NZ LYS A -4 -27.138 1.388 42.986 1.00 20.00 N ATOM 0 H LYS A -4 -29.881 6.768 41.127 1.00 20.00 H new ATOM 0 HA LYS A -4 -27.774 4.994 40.002 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -28.472 4.375 42.284 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -30.154 4.386 41.792 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -29.655 2.535 40.173 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -28.006 2.494 40.766 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -30.462 2.077 42.517 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -29.527 0.775 41.811 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -28.444 2.874 43.733 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -28.884 1.234 44.169 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -26.589 1.199 43.849 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -27.210 0.517 42.423 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -26.661 2.124 42.426 1.00 20.00 H new ATOM 75 N ASP A -3 -29.431 3.930 38.317 1.00 20.00 N ATOM 76 CA ASP A -3 -30.269 3.569 37.174 1.00 20.00 C ATOM 77 C ASP A -3 -30.301 4.709 36.159 1.00 20.00 C ATOM 78 O ASP A -3 -31.289 5.436 36.049 1.00 20.00 O ATOM 79 CB ASP A -3 -31.684 3.215 37.651 1.00 20.00 C ATOM 80 CG ASP A -3 -32.585 2.748 36.531 1.00 20.00 C ATOM 81 OD1 ASP A -3 -32.258 1.731 35.889 1.00 20.00 O ATOM 82 OD2 ASP A -3 -33.633 3.389 36.301 1.00 20.00 O ATOM 0 H ASP A -3 -28.616 3.329 38.443 1.00 20.00 H new ATOM 0 HA ASP A -3 -29.844 2.693 36.683 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -31.621 2.434 38.409 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -32.130 4.088 38.128 1.00 20.00 H new ATOM 87 N ASP A -2 -29.200 4.860 35.431 1.00 20.00 N ATOM 88 CA ASP A -2 -29.023 5.981 34.508 1.00 20.00 C ATOM 89 C ASP A -2 -30.063 5.969 33.393 1.00 20.00 C ATOM 90 O ASP A -2 -30.835 6.919 33.243 1.00 20.00 O ATOM 91 CB ASP A -2 -27.619 5.960 33.903 1.00 20.00 C ATOM 92 CG ASP A -2 -27.420 7.059 32.879 1.00 20.00 C ATOM 93 OD1 ASP A -2 -27.378 8.243 33.270 1.00 20.00 O ATOM 94 OD2 ASP A -2 -27.300 6.740 31.677 1.00 20.00 O ATOM 0 H ASP A -2 -28.410 4.216 35.461 1.00 20.00 H new ATOM 0 HA ASP A -2 -29.157 6.896 35.084 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -26.881 6.069 34.698 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -27.442 4.992 33.434 1.00 20.00 H new ATOM 99 N ASP A -1 -30.079 4.901 32.613 1.00 20.00 N ATOM 100 CA ASP A -1 -31.035 4.783 31.520 1.00 20.00 C ATOM 101 C ASP A -1 -32.373 4.270 32.035 1.00 20.00 C ATOM 102 O ASP A -1 -32.540 3.088 32.324 1.00 20.00 O ATOM 103 CB ASP A -1 -30.498 3.887 30.388 1.00 20.00 C ATOM 104 CG ASP A -1 -30.027 2.524 30.855 1.00 20.00 C ATOM 105 OD1 ASP A -1 -28.854 2.413 31.273 1.00 20.00 O ATOM 106 OD2 ASP A -1 -30.816 1.558 30.789 1.00 20.00 O ATOM 0 H ASP A -1 -29.446 4.107 32.713 1.00 20.00 H new ATOM 0 HA ASP A -1 -31.185 5.778 31.100 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -31.281 3.754 29.641 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -29.670 4.397 29.895 1.00 20.00 H new ATOM 111 N ASP A 0 -33.320 5.182 32.169 1.00 20.00 N ATOM 112 CA ASP A 0 -34.647 4.842 32.663 1.00 20.00 C ATOM 113 C ASP A 0 -35.502 4.290 31.536 1.00 20.00 C ATOM 114 O ASP A 0 -36.251 3.328 31.716 1.00 20.00 O ATOM 115 CB ASP A 0 -35.321 6.071 33.275 1.00 20.00 C ATOM 116 CG ASP A 0 -36.671 5.759 33.890 1.00 20.00 C ATOM 117 OD1 ASP A 0 -36.708 5.316 35.057 1.00 20.00 O ATOM 118 OD2 ASP A 0 -37.701 5.960 33.214 1.00 20.00 O ATOM 0 H ASP A 0 -33.196 6.169 31.942 1.00 20.00 H new ATOM 0 HA ASP A 0 -34.542 4.079 33.435 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -34.669 6.494 34.039 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -35.446 6.832 32.505 1.00 20.00 H new ATOM 123 N LYS A 1 -35.365 4.894 30.364 1.00 20.00 N ATOM 124 CA LYS A 1 -36.136 4.483 29.198 1.00 20.00 C ATOM 125 C LYS A 1 -35.481 3.278 28.529 1.00 20.00 C ATOM 126 O LYS A 1 -36.070 2.634 27.658 1.00 20.00 O ATOM 127 CB LYS A 1 -36.262 5.646 28.204 1.00 20.00 C ATOM 128 CG LYS A 1 -37.244 5.386 27.070 1.00 20.00 C ATOM 129 CD LYS A 1 -37.307 6.562 26.106 1.00 20.00 C ATOM 130 CE LYS A 1 -38.319 6.331 24.996 1.00 20.00 C ATOM 131 NZ LYS A 1 -38.362 7.468 24.038 1.00 20.00 N ATOM 0 H LYS A 1 -34.727 5.671 30.195 1.00 20.00 H new ATOM 0 HA LYS A 1 -37.136 4.198 29.524 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -36.574 6.540 28.744 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -35.280 5.856 27.780 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -36.948 4.487 26.530 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -38.236 5.198 27.482 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -37.569 7.467 26.654 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -36.322 6.728 25.670 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -38.068 5.415 24.461 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -39.308 6.185 25.431 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -39.064 7.271 23.297 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -38.626 8.338 24.543 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -37.425 7.591 23.603 1.00 20.00 H new ATOM 145 N ASN A 2 -34.256 2.979 28.969 1.00 20.00 N ATOM 146 CA ASN A 2 -33.472 1.860 28.449 1.00 20.00 C ATOM 147 C ASN A 2 -33.141 2.080 26.979 1.00 20.00 C ATOM 148 O ASN A 2 -33.348 1.199 26.141 1.00 20.00 O ATOM 149 CB ASN A 2 -34.214 0.527 28.635 1.00 20.00 C ATOM 150 CG ASN A 2 -34.465 0.174 30.093 1.00 20.00 C ATOM 151 OD1 ASN A 2 -35.483 -0.437 30.425 1.00 20.00 O ATOM 152 ND2 ASN A 2 -33.536 0.531 30.973 1.00 20.00 N ATOM 0 H ASN A 2 -33.780 3.509 29.699 1.00 20.00 H new ATOM 0 HA ASN A 2 -32.542 1.811 29.016 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -35.169 0.575 28.111 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -33.635 -0.271 28.170 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -33.653 0.300 31.960 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -32.706 1.036 30.662 1.00 20.00 H new ATOM 159 N ARG A 3 -32.617 3.264 26.673 1.00 20.00 N ATOM 160 CA ARG A 3 -32.298 3.646 25.301 1.00 20.00 C ATOM 161 C ARG A 3 -31.021 2.949 24.819 1.00 20.00 C ATOM 162 O ARG A 3 -30.008 3.588 24.531 1.00 20.00 O ATOM 163 CB ARG A 3 -32.153 5.171 25.216 1.00 20.00 C ATOM 164 CG ARG A 3 -31.979 5.713 23.803 1.00 20.00 C ATOM 165 CD ARG A 3 -31.806 7.225 23.818 1.00 20.00 C ATOM 166 NE ARG A 3 -30.643 7.631 24.610 1.00 20.00 N ATOM 167 CZ ARG A 3 -30.682 8.528 25.599 1.00 20.00 C ATOM 168 NH1 ARG A 3 -31.823 9.128 25.921 1.00 20.00 N ATOM 169 NH2 ARG A 3 -29.573 8.831 26.262 1.00 20.00 N ATOM 0 H ARG A 3 -32.403 3.982 27.365 1.00 20.00 H new ATOM 0 HA ARG A 3 -33.111 3.328 24.648 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -33.034 5.632 25.662 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -31.296 5.475 25.816 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -31.111 5.248 23.335 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -32.846 5.448 23.198 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -31.695 7.588 22.796 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -32.704 7.690 24.226 1.00 20.00 H new ATOM 0 HE ARG A 3 -29.744 7.201 24.392 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -32.678 8.905 25.412 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -31.844 9.812 26.678 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -28.692 8.379 26.016 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -29.601 9.516 27.017 1.00 20.00 H new ATOM 183 N ALA A 4 -31.080 1.632 24.763 1.00 20.00 N ATOM 184 CA ALA A 4 -29.994 0.824 24.234 1.00 20.00 C ATOM 185 C ALA A 4 -30.575 -0.281 23.369 1.00 20.00 C ATOM 186 O ALA A 4 -30.170 -0.477 22.224 1.00 20.00 O ATOM 187 CB ALA A 4 -29.152 0.247 25.363 1.00 20.00 C ATOM 0 H ALA A 4 -31.883 1.090 25.083 1.00 20.00 H new ATOM 0 HA ALA A 4 -29.340 1.449 23.626 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -28.345 -0.354 24.944 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -28.730 1.060 25.954 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -29.777 -0.378 26.000 1.00 20.00 H new ATOM 193 N LEU A 5 -31.538 -0.994 23.931 1.00 20.00 N ATOM 194 CA LEU A 5 -32.323 -1.965 23.184 1.00 20.00 C ATOM 195 C LEU A 5 -33.738 -1.432 23.020 1.00 20.00 C ATOM 196 O LEU A 5 -34.721 -2.161 23.176 1.00 20.00 O ATOM 197 CB LEU A 5 -32.352 -3.317 23.908 1.00 20.00 C ATOM 198 CG LEU A 5 -30.994 -4.004 24.087 1.00 20.00 C ATOM 199 CD1 LEU A 5 -31.147 -5.276 24.910 1.00 20.00 C ATOM 200 CD2 LEU A 5 -30.363 -4.319 22.737 1.00 20.00 C ATOM 0 H LEU A 5 -31.797 -0.917 24.914 1.00 20.00 H new ATOM 0 HA LEU A 5 -31.866 -2.117 22.206 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -32.798 -3.172 24.892 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -33.009 -3.990 23.357 1.00 20.00 H new ATOM 0 HG LEU A 5 -30.334 -3.320 24.620 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -30.174 -5.752 25.028 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -31.551 -5.028 25.891 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -31.826 -5.960 24.400 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -29.400 -4.806 22.890 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -31.020 -4.982 22.174 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -30.217 -3.394 22.179 1.00 20.00 H new ATOM 212 N SER A 6 -33.819 -0.148 22.714 1.00 20.00 N ATOM 213 CA SER A 6 -35.085 0.551 22.592 1.00 20.00 C ATOM 214 C SER A 6 -35.897 0.034 21.405 1.00 20.00 C ATOM 215 O SER A 6 -35.379 -0.091 20.292 1.00 20.00 O ATOM 216 CB SER A 6 -34.807 2.047 22.455 1.00 20.00 C ATOM 217 OG SER A 6 -33.536 2.266 21.858 1.00 20.00 O ATOM 0 H SER A 6 -33.004 0.441 22.543 1.00 20.00 H new ATOM 0 HA SER A 6 -35.682 0.369 23.485 1.00 20.00 H new ATOM 0 HB2 SER A 6 -35.584 2.513 21.850 1.00 20.00 H new ATOM 0 HB3 SER A 6 -34.840 2.520 23.436 1.00 20.00 H new ATOM 0 HG SER A 6 -33.451 1.708 21.057 1.00 20.00 H new ATOM 223 N PRO A 7 -37.182 -0.286 21.640 1.00 20.00 N ATOM 224 CA PRO A 7 -38.076 -0.797 20.598 1.00 20.00 C ATOM 225 C PRO A 7 -38.338 0.236 19.512 1.00 20.00 C ATOM 226 O PRO A 7 -38.660 1.392 19.812 1.00 20.00 O ATOM 227 CB PRO A 7 -39.372 -1.126 21.349 1.00 20.00 C ATOM 228 CG PRO A 7 -39.314 -0.316 22.599 1.00 20.00 C ATOM 229 CD PRO A 7 -37.859 -0.180 22.945 1.00 20.00 C ATOM 0 HA PRO A 7 -37.646 -1.656 20.083 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -40.248 -0.870 20.754 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -39.439 -2.191 21.572 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -39.771 0.662 22.450 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -39.861 -0.805 23.405 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -37.649 0.774 23.429 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -37.535 -0.963 23.630 1.00 20.00 H new ATOM 237 N MET A 8 -38.198 -0.192 18.259 1.00 20.00 N ATOM 238 CA MET A 8 -38.368 0.684 17.105 1.00 20.00 C ATOM 239 C MET A 8 -37.305 1.777 17.116 1.00 20.00 C ATOM 240 O MET A 8 -37.561 2.916 17.511 1.00 20.00 O ATOM 241 CB MET A 8 -39.777 1.290 17.077 1.00 20.00 C ATOM 242 CG MET A 8 -40.062 2.126 15.838 1.00 20.00 C ATOM 243 SD MET A 8 -41.710 2.857 15.859 1.00 20.00 S ATOM 244 CE MET A 8 -41.611 3.874 17.331 1.00 20.00 C ATOM 0 H MET A 8 -37.964 -1.155 18.017 1.00 20.00 H new ATOM 0 HA MET A 8 -38.246 0.090 16.199 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.510 0.485 17.137 1.00 20.00 H new ATOM 0 HB3 MET A 8 -39.913 1.911 17.962 1.00 20.00 H new ATOM 0 HG2 MET A 8 -39.318 2.919 15.760 1.00 20.00 H new ATOM 0 HG3 MET A 8 -39.957 1.502 14.951 1.00 20.00 H new ATOM 0 HE1 MET A 8 -42.348 4.675 17.270 1.00 20.00 H new ATOM 0 HE2 MET A 8 -41.812 3.262 18.210 1.00 20.00 H new ATOM 0 HE3 MET A 8 -40.613 4.305 17.409 1.00 20.00 H new ATOM 254 N VAL A 9 -36.104 1.411 16.695 1.00 20.00 N ATOM 255 CA VAL A 9 -34.977 2.336 16.677 1.00 20.00 C ATOM 256 C VAL A 9 -35.085 3.287 15.481 1.00 20.00 C ATOM 257 O VAL A 9 -34.343 4.268 15.399 1.00 20.00 O ATOM 258 CB VAL A 9 -33.631 1.568 16.631 1.00 20.00 C ATOM 259 CG1 VAL A 9 -33.395 0.938 15.266 1.00 20.00 C ATOM 260 CG2 VAL A 9 -32.469 2.474 17.020 1.00 20.00 C ATOM 0 H VAL A 9 -35.882 0.474 16.359 1.00 20.00 H new ATOM 0 HA VAL A 9 -35.005 2.922 17.596 1.00 20.00 H new ATOM 0 HB VAL A 9 -33.690 0.761 17.362 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -32.443 0.408 15.270 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -34.200 0.237 15.045 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -33.373 1.717 14.504 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -31.538 1.909 16.979 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -32.415 3.314 16.327 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -32.622 2.848 18.032 1.00 20.00 H new ATOM 270 N SER A 10 -36.031 2.997 14.584 1.00 20.00 N ATOM 271 CA SER A 10 -36.357 3.864 13.442 1.00 20.00 C ATOM 272 C SER A 10 -35.108 4.296 12.670 1.00 20.00 C ATOM 273 O SER A 10 -34.544 5.371 12.912 1.00 20.00 O ATOM 274 CB SER A 10 -37.165 5.090 13.903 1.00 20.00 C ATOM 275 OG SER A 10 -36.481 5.821 14.907 1.00 20.00 O ATOM 0 H SER A 10 -36.597 2.150 14.627 1.00 20.00 H new ATOM 0 HA SER A 10 -36.971 3.278 12.758 1.00 20.00 H new ATOM 0 HB2 SER A 10 -37.360 5.739 13.049 1.00 20.00 H new ATOM 0 HB3 SER A 10 -38.133 4.765 14.285 1.00 20.00 H new ATOM 0 HG SER A 10 -35.532 5.576 14.901 1.00 20.00 H new ATOM 281 N GLU A 11 -34.685 3.455 11.741 1.00 20.00 N ATOM 282 CA GLU A 11 -33.508 3.732 10.936 1.00 20.00 C ATOM 283 C GLU A 11 -33.894 4.518 9.688 1.00 20.00 C ATOM 284 O GLU A 11 -35.003 4.375 9.170 1.00 20.00 O ATOM 285 CB GLU A 11 -32.818 2.424 10.540 1.00 20.00 C ATOM 286 CG GLU A 11 -31.493 2.624 9.829 1.00 20.00 C ATOM 287 CD GLU A 11 -30.461 3.301 10.704 1.00 20.00 C ATOM 288 OE1 GLU A 11 -30.509 4.540 10.851 1.00 20.00 O ATOM 289 OE2 GLU A 11 -29.592 2.595 11.253 1.00 20.00 O ATOM 0 H GLU A 11 -35.143 2.569 11.525 1.00 20.00 H new ATOM 0 HA GLU A 11 -32.815 4.331 11.527 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -32.653 1.825 11.436 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -33.485 1.853 9.893 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -31.110 1.657 9.503 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -31.653 3.222 8.932 1.00 20.00 H new ATOM 296 N PHE A 12 -32.979 5.348 9.214 1.00 20.00 N ATOM 297 CA PHE A 12 -33.218 6.157 8.029 1.00 20.00 C ATOM 298 C PHE A 12 -31.975 6.187 7.145 1.00 20.00 C ATOM 299 O PHE A 12 -30.861 6.342 7.648 1.00 20.00 O ATOM 300 CB PHE A 12 -33.605 7.587 8.423 1.00 20.00 C ATOM 301 CG PHE A 12 -34.914 7.687 9.162 1.00 20.00 C ATOM 302 CD1 PHE A 12 -36.117 7.657 8.472 1.00 20.00 C ATOM 303 CD2 PHE A 12 -34.942 7.807 10.543 1.00 20.00 C ATOM 304 CE1 PHE A 12 -37.321 7.746 9.145 1.00 20.00 C ATOM 305 CE2 PHE A 12 -36.145 7.896 11.220 1.00 20.00 C ATOM 306 CZ PHE A 12 -37.334 7.865 10.521 1.00 20.00 C ATOM 0 H PHE A 12 -32.059 5.480 9.634 1.00 20.00 H new ATOM 0 HA PHE A 12 -34.040 5.708 7.472 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -32.815 8.008 9.046 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -33.661 8.198 7.522 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -36.113 7.563 7.396 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -34.015 7.831 11.096 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -38.251 7.723 8.596 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -36.153 7.990 12.296 1.00 20.00 H new ATOM 0 HZ PHE A 12 -38.274 7.934 11.049 1.00 20.00 H new ATOM 316 N GLU A 13 -32.182 6.017 5.836 1.00 20.00 N ATOM 317 CA GLU A 13 -31.109 6.115 4.835 1.00 20.00 C ATOM 318 C GLU A 13 -30.156 4.917 4.880 1.00 20.00 C ATOM 319 O GLU A 13 -29.934 4.323 5.935 1.00 20.00 O ATOM 320 CB GLU A 13 -30.324 7.418 5.003 1.00 20.00 C ATOM 321 CG GLU A 13 -31.143 8.664 4.714 1.00 20.00 C ATOM 322 CD GLU A 13 -30.350 9.934 4.920 1.00 20.00 C ATOM 323 OE1 GLU A 13 -29.439 10.209 4.111 1.00 20.00 O ATOM 324 OE2 GLU A 13 -30.641 10.675 5.877 1.00 20.00 O ATOM 0 H GLU A 13 -33.097 5.807 5.438 1.00 20.00 H new ATOM 0 HA GLU A 13 -31.592 6.112 3.858 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -29.942 7.473 6.022 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -29.460 7.400 4.339 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -31.505 8.627 3.687 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.020 8.677 5.361 1.00 20.00 H new ATOM 331 N THR A 14 -29.615 4.571 3.708 1.00 20.00 N ATOM 332 CA THR A 14 -28.636 3.484 3.540 1.00 20.00 C ATOM 333 C THR A 14 -29.134 2.149 4.091 1.00 20.00 C ATOM 334 O THR A 14 -28.346 1.241 4.363 1.00 20.00 O ATOM 335 CB THR A 14 -27.258 3.830 4.160 1.00 20.00 C ATOM 336 OG1 THR A 14 -27.369 4.097 5.564 1.00 20.00 O ATOM 337 CG2 THR A 14 -26.642 5.035 3.469 1.00 20.00 C ATOM 0 H THR A 14 -29.846 5.043 2.834 1.00 20.00 H new ATOM 0 HA THR A 14 -28.510 3.376 2.463 1.00 20.00 H new ATOM 0 HB THR A 14 -26.614 2.962 4.017 1.00 20.00 H new ATOM 0 HG1 THR A 14 -28.252 3.813 5.882 1.00 20.00 H new ATOM 0 HG21 THR A 14 -25.676 5.259 3.921 1.00 20.00 H new ATOM 0 HG22 THR A 14 -26.505 4.817 2.410 1.00 20.00 H new ATOM 0 HG23 THR A 14 -27.302 5.895 3.580 1.00 20.00 H new ATOM 345 N ILE A 15 -30.448 2.019 4.200 1.00 20.00 N ATOM 346 CA ILE A 15 -31.064 0.820 4.741 1.00 20.00 C ATOM 347 C ILE A 15 -30.924 -0.338 3.761 1.00 20.00 C ATOM 348 O ILE A 15 -30.603 -1.465 4.149 1.00 20.00 O ATOM 349 CB ILE A 15 -32.557 1.058 5.064 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.702 2.130 6.151 1.00 20.00 C ATOM 351 CG2 ILE A 15 -33.229 -0.235 5.496 1.00 20.00 C ATOM 352 CD1 ILE A 15 -34.136 2.408 6.537 1.00 20.00 C ATOM 0 H ILE A 15 -31.113 2.739 3.917 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.548 0.568 5.667 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.052 1.411 4.159 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -32.150 1.815 7.037 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.242 3.055 5.802 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -34.279 -0.043 5.718 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -33.156 -0.969 4.693 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.735 -0.622 6.387 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -34.162 3.176 7.310 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -34.688 2.754 5.663 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -34.594 1.495 6.917 1.00 20.00 H new ATOM 364 N GLU A 16 -31.137 -0.050 2.482 1.00 20.00 N ATOM 365 CA GLU A 16 -31.025 -1.069 1.449 1.00 20.00 C ATOM 366 C GLU A 16 -29.594 -1.589 1.361 1.00 20.00 C ATOM 367 O GLU A 16 -29.366 -2.746 1.019 1.00 20.00 O ATOM 368 CB GLU A 16 -31.475 -0.524 0.089 1.00 20.00 C ATOM 369 CG GLU A 16 -30.578 0.564 -0.481 1.00 20.00 C ATOM 370 CD GLU A 16 -30.956 0.941 -1.896 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.843 1.803 -2.073 1.00 20.00 O ATOM 372 OE2 GLU A 16 -30.366 0.377 -2.840 1.00 20.00 O ATOM 0 H GLU A 16 -31.387 0.877 2.138 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.681 -1.896 1.721 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.521 -1.349 -0.622 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.487 -0.130 0.186 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -30.634 1.448 0.155 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -29.543 0.224 -0.463 1.00 20.00 H new ATOM 379 N GLN A 17 -28.636 -0.734 1.702 1.00 20.00 N ATOM 380 CA GLN A 17 -27.228 -1.103 1.642 1.00 20.00 C ATOM 381 C GLN A 17 -26.902 -2.112 2.731 1.00 20.00 C ATOM 382 O GLN A 17 -26.238 -3.119 2.481 1.00 20.00 O ATOM 383 CB GLN A 17 -26.332 0.127 1.791 1.00 20.00 C ATOM 384 CG GLN A 17 -26.573 1.197 0.737 1.00 20.00 C ATOM 385 CD GLN A 17 -25.537 2.304 0.772 1.00 20.00 C ATOM 386 OE1 GLN A 17 -25.255 2.933 -0.246 1.00 20.00 O ATOM 387 NE2 GLN A 17 -24.946 2.542 1.933 1.00 20.00 N ATOM 0 H GLN A 17 -28.809 0.219 2.023 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.039 -1.552 0.667 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.489 0.561 2.778 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -25.289 -0.187 1.744 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.570 0.735 -0.250 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -27.563 1.628 0.884 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -25.205 2.000 2.758 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -24.232 3.267 2.003 1.00 20.00 H new ATOM 396 N GLU A 18 -27.391 -1.847 3.937 1.00 20.00 N ATOM 397 CA GLU A 18 -27.161 -2.738 5.063 1.00 20.00 C ATOM 398 C GLU A 18 -27.826 -4.089 4.820 1.00 20.00 C ATOM 399 O GLU A 18 -27.286 -5.133 5.189 1.00 20.00 O ATOM 400 CB GLU A 18 -27.677 -2.112 6.362 1.00 20.00 C ATOM 401 CG GLU A 18 -27.058 -0.758 6.673 1.00 20.00 C ATOM 402 CD GLU A 18 -27.479 -0.219 8.023 1.00 20.00 C ATOM 403 OE1 GLU A 18 -28.623 0.262 8.152 1.00 20.00 O ATOM 404 OE2 GLU A 18 -26.660 -0.264 8.967 1.00 20.00 O ATOM 0 H GLU A 18 -27.949 -1.022 4.158 1.00 20.00 H new ATOM 0 HA GLU A 18 -26.087 -2.895 5.162 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.759 -2.001 6.297 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -27.475 -2.793 7.189 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -25.972 -0.844 6.644 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -27.342 -0.047 5.898 1.00 20.00 H new ATOM 411 N ASN A 19 -28.992 -4.071 4.181 1.00 20.00 N ATOM 412 CA ASN A 19 -29.673 -5.310 3.820 1.00 20.00 C ATOM 413 C ASN A 19 -28.890 -6.055 2.747 1.00 20.00 C ATOM 414 O ASN A 19 -28.811 -7.282 2.766 1.00 20.00 O ATOM 415 CB ASN A 19 -31.099 -5.051 3.324 1.00 20.00 C ATOM 416 CG ASN A 19 -32.053 -4.638 4.426 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.862 -4.973 5.595 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.104 -3.927 4.055 1.00 20.00 N ATOM 0 H ASN A 19 -29.482 -3.220 3.904 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.731 -5.920 4.721 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.075 -4.271 2.563 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.478 -5.953 2.844 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.793 -3.636 4.748 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.226 -3.670 3.076 1.00 20.00 H new ATOM 425 N SER A 20 -28.295 -5.305 1.822 1.00 20.00 N ATOM 426 CA SER A 20 -27.482 -5.895 0.763 1.00 20.00 C ATOM 427 C SER A 20 -26.207 -6.503 1.342 1.00 20.00 C ATOM 428 O SER A 20 -25.587 -7.378 0.737 1.00 20.00 O ATOM 429 CB SER A 20 -27.131 -4.843 -0.293 1.00 20.00 C ATOM 430 OG SER A 20 -28.304 -4.288 -0.868 1.00 20.00 O ATOM 0 H SER A 20 -28.361 -4.288 1.785 1.00 20.00 H new ATOM 0 HA SER A 20 -28.062 -6.687 0.289 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.535 -4.052 0.161 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.519 -5.296 -1.073 1.00 20.00 H new ATOM 0 HG SER A 20 -28.745 -3.706 -0.214 1.00 20.00 H new ATOM 436 N TYR A 21 -25.825 -6.034 2.518 1.00 20.00 N ATOM 437 CA TYR A 21 -24.658 -6.557 3.205 1.00 20.00 C ATOM 438 C TYR A 21 -25.045 -7.786 4.023 1.00 20.00 C ATOM 439 O TYR A 21 -24.333 -8.788 4.032 1.00 20.00 O ATOM 440 CB TYR A 21 -24.059 -5.474 4.108 1.00 20.00 C ATOM 441 CG TYR A 21 -22.688 -5.808 4.654 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.547 -5.572 3.897 1.00 20.00 C ATOM 443 CD2 TYR A 21 -22.533 -6.345 5.927 1.00 20.00 C ATOM 444 CE1 TYR A 21 -20.291 -5.865 4.392 1.00 20.00 C ATOM 445 CE2 TYR A 21 -21.279 -6.636 6.428 1.00 20.00 C ATOM 446 CZ TYR A 21 -20.162 -6.395 5.656 1.00 20.00 C ATOM 447 OH TYR A 21 -18.909 -6.674 6.155 1.00 20.00 O ATOM 0 H TYR A 21 -26.309 -5.288 3.018 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.908 -6.852 2.471 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.996 -4.542 3.546 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.737 -5.298 4.943 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.644 -5.153 2.906 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.406 -6.537 6.533 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -19.414 -5.679 3.790 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -21.174 -7.050 7.420 1.00 20.00 H new ATOM 0 HH TYR A 21 -18.992 -7.042 7.060 1.00 20.00 H new ATOM 457 N ASN A 22 -26.193 -7.707 4.687 1.00 20.00 N ATOM 458 CA ASN A 22 -26.678 -8.802 5.525 1.00 20.00 C ATOM 459 C ASN A 22 -27.034 -10.026 4.683 1.00 20.00 C ATOM 460 O ASN A 22 -26.793 -11.159 5.093 1.00 20.00 O ATOM 461 CB ASN A 22 -27.890 -8.358 6.352 1.00 20.00 C ATOM 462 CG ASN A 22 -28.464 -9.482 7.202 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.007 -9.726 8.318 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.484 -10.158 6.693 1.00 20.00 N ATOM 0 H ASN A 22 -26.808 -6.894 4.662 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.873 -9.078 6.206 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.600 -7.530 6.999 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.664 -7.983 5.682 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.917 -10.909 7.230 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -29.836 -9.927 5.764 1.00 20.00 H new ATOM 471 N GLU A 23 -27.598 -9.795 3.500 1.00 20.00 N ATOM 472 CA GLU A 23 -27.958 -10.894 2.611 1.00 20.00 C ATOM 473 C GLU A 23 -26.707 -11.649 2.170 1.00 20.00 C ATOM 474 O GLU A 23 -26.731 -12.868 2.001 1.00 20.00 O ATOM 475 CB GLU A 23 -28.737 -10.394 1.390 1.00 20.00 C ATOM 476 CG GLU A 23 -27.944 -9.473 0.480 1.00 20.00 C ATOM 477 CD GLU A 23 -28.692 -9.125 -0.785 1.00 20.00 C ATOM 478 OE1 GLU A 23 -28.593 -9.893 -1.765 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.378 -8.083 -0.815 1.00 20.00 O ATOM 0 H GLU A 23 -27.814 -8.866 3.138 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.606 -11.574 3.164 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.076 -11.254 0.812 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -29.629 -9.869 1.732 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -27.701 -8.557 1.018 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -26.999 -9.950 0.220 1.00 20.00 H new ATOM 486 N TRP A 24 -25.614 -10.916 2.004 1.00 20.00 N ATOM 487 CA TRP A 24 -24.335 -11.514 1.660 1.00 20.00 C ATOM 488 C TRP A 24 -23.821 -12.353 2.826 1.00 20.00 C ATOM 489 O TRP A 24 -23.309 -13.454 2.635 1.00 20.00 O ATOM 490 CB TRP A 24 -23.322 -10.428 1.280 1.00 20.00 C ATOM 491 CG TRP A 24 -21.925 -10.941 1.124 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.468 -11.802 0.170 1.00 20.00 C ATOM 493 CD2 TRP A 24 -20.801 -10.618 1.948 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.129 -12.045 0.359 1.00 20.00 N ATOM 495 CE2 TRP A 24 -19.697 -11.327 1.443 1.00 20.00 C ATOM 496 CE3 TRP A 24 -20.622 -9.800 3.066 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -18.433 -11.243 2.017 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -19.366 -9.716 3.635 1.00 20.00 C ATOM 499 CH2 TRP A 24 -18.287 -10.435 3.110 1.00 20.00 C ATOM 0 H TRP A 24 -25.590 -9.901 2.103 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.470 -12.167 0.798 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.635 -9.961 0.346 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.332 -9.650 2.044 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -22.070 -12.230 -0.618 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.551 -12.660 -0.214 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -21.451 -9.243 3.478 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -17.597 -11.796 1.614 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -19.215 -9.085 4.499 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -17.318 -10.350 3.578 1.00 20.00 H new ATOM 510 N LEU A 25 -23.995 -11.841 4.037 1.00 20.00 N ATOM 511 CA LEU A 25 -23.595 -12.561 5.238 1.00 20.00 C ATOM 512 C LEU A 25 -24.436 -13.824 5.407 1.00 20.00 C ATOM 513 O LEU A 25 -23.972 -14.835 5.937 1.00 20.00 O ATOM 514 CB LEU A 25 -23.753 -11.667 6.469 1.00 20.00 C ATOM 515 CG LEU A 25 -22.904 -10.392 6.480 1.00 20.00 C ATOM 516 CD1 LEU A 25 -23.196 -9.574 7.729 1.00 20.00 C ATOM 517 CD2 LEU A 25 -21.424 -10.733 6.404 1.00 20.00 C ATOM 0 H LEU A 25 -24.412 -10.927 4.214 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.548 -12.845 5.136 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.802 -11.383 6.557 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.506 -12.253 7.354 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.164 -9.797 5.604 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.586 -8.671 7.723 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.251 -9.299 7.746 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.961 -10.165 8.614 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -20.838 -9.814 6.413 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -21.148 -11.348 7.261 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -21.224 -11.282 5.484 1.00 20.00 H new ATOM 529 N ARG A 26 -25.674 -13.752 4.947 1.00 20.00 N ATOM 530 CA ARG A 26 -26.590 -14.878 5.020 1.00 20.00 C ATOM 531 C ARG A 26 -26.257 -15.916 3.947 1.00 20.00 C ATOM 532 O ARG A 26 -26.473 -17.115 4.138 1.00 20.00 O ATOM 533 CB ARG A 26 -28.030 -14.378 4.863 1.00 20.00 C ATOM 534 CG ARG A 26 -29.088 -15.465 4.985 1.00 20.00 C ATOM 535 CD ARG A 26 -30.491 -14.878 4.965 1.00 20.00 C ATOM 536 NE ARG A 26 -30.760 -14.138 3.733 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.400 -12.967 3.681 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.789 -12.361 4.799 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.634 -12.396 2.507 1.00 20.00 N ATOM 0 H ARG A 26 -26.070 -12.917 4.515 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.486 -15.359 5.993 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.221 -13.615 5.617 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.131 -13.897 3.890 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.978 -16.176 4.166 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.937 -16.020 5.911 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -31.221 -15.680 5.072 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.618 -14.215 5.821 1.00 20.00 H new ATOM 0 HE ARG A 26 -30.437 -14.543 2.854 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.599 -12.790 5.704 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.277 -11.467 4.751 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.325 -12.851 1.648 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.123 -11.502 2.463 1.00 20.00 H new ATOM 553 N ALA A 27 -25.710 -15.450 2.834 1.00 20.00 N ATOM 554 CA ALA A 27 -25.387 -16.324 1.714 1.00 20.00 C ATOM 555 C ALA A 27 -24.003 -16.944 1.868 1.00 20.00 C ATOM 556 O ALA A 27 -23.760 -18.062 1.412 1.00 20.00 O ATOM 557 CB ALA A 27 -25.473 -15.554 0.406 1.00 20.00 C ATOM 0 H ALA A 27 -25.480 -14.468 2.681 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.116 -17.134 1.703 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -25.229 -16.218 -0.424 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -26.484 -15.168 0.277 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -24.767 -14.724 0.426 1.00 20.00 H new ATOM 563 N LYS A 28 -23.097 -16.213 2.497 1.00 20.00 N ATOM 564 CA LYS A 28 -21.733 -16.685 2.677 1.00 20.00 C ATOM 565 C LYS A 28 -21.691 -17.849 3.671 1.00 20.00 C ATOM 566 O LYS A 28 -21.443 -18.993 3.284 1.00 20.00 O ATOM 567 CB LYS A 28 -20.823 -15.536 3.128 1.00 20.00 C ATOM 568 CG LYS A 28 -19.374 -15.944 3.345 1.00 20.00 C ATOM 569 CD LYS A 28 -18.517 -14.753 3.741 1.00 20.00 C ATOM 570 CE LYS A 28 -17.072 -15.161 4.001 1.00 20.00 C ATOM 571 NZ LYS A 28 -16.451 -15.803 2.811 1.00 20.00 N ATOM 0 H LYS A 28 -23.281 -15.291 2.892 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.363 -17.051 1.720 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.859 -14.743 2.381 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.215 -15.118 4.055 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.321 -16.707 4.122 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -18.979 -16.391 2.432 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -18.547 -14.004 2.950 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.931 -14.288 4.636 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -16.492 -14.282 4.283 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.036 -15.850 4.845 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -15.426 -15.895 2.962 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.866 -16.746 2.669 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -16.626 -15.217 1.970 1.00 20.00 H new ATOM 585 N VAL A 29 -21.945 -17.572 4.943 1.00 20.00 N ATOM 586 CA VAL A 29 -21.982 -18.628 5.944 1.00 20.00 C ATOM 587 C VAL A 29 -23.422 -19.028 6.253 1.00 20.00 C ATOM 588 O VAL A 29 -23.860 -20.123 5.897 1.00 20.00 O ATOM 589 CB VAL A 29 -21.267 -18.220 7.248 1.00 20.00 C ATOM 590 CG1 VAL A 29 -21.340 -19.342 8.274 1.00 20.00 C ATOM 591 CG2 VAL A 29 -19.818 -17.852 6.969 1.00 20.00 C ATOM 0 H VAL A 29 -22.127 -16.635 5.303 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.450 -19.481 5.522 1.00 20.00 H new ATOM 0 HB VAL A 29 -21.775 -17.346 7.656 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -20.830 -19.034 9.187 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -22.384 -19.562 8.498 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -20.859 -20.234 7.873 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -19.329 -17.567 7.901 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -19.302 -18.709 6.536 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -19.783 -17.016 6.270 1.00 20.00 H new ATOM 601 N ALA A 30 -24.156 -18.131 6.898 1.00 20.00 N ATOM 602 CA ALA A 30 -25.545 -18.386 7.259 1.00 20.00 C ATOM 603 C ALA A 30 -26.229 -17.095 7.677 1.00 20.00 C ATOM 604 O ALA A 30 -27.333 -16.791 7.235 1.00 20.00 O ATOM 605 CB ALA A 30 -25.632 -19.417 8.376 1.00 20.00 C ATOM 0 H ALA A 30 -23.810 -17.215 7.184 1.00 20.00 H new ATOM 0 HA ALA A 30 -26.058 -18.785 6.384 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -26.678 -19.592 8.629 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.178 -20.351 8.045 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.103 -19.047 9.254 1.00 20.00 H new ATOM 611 N THR A 31 -25.567 -16.344 8.541 1.00 20.00 N ATOM 612 CA THR A 31 -26.054 -15.047 8.976 1.00 20.00 C ATOM 613 C THR A 31 -24.885 -14.205 9.479 1.00 20.00 C ATOM 614 O THR A 31 -24.667 -13.100 8.990 1.00 20.00 O ATOM 615 CB THR A 31 -27.131 -15.185 10.077 1.00 20.00 C ATOM 616 OG1 THR A 31 -28.274 -15.887 9.555 1.00 20.00 O ATOM 617 CG2 THR A 31 -27.564 -13.821 10.595 1.00 20.00 C ATOM 0 H THR A 31 -24.678 -16.616 8.960 1.00 20.00 H new ATOM 0 HA THR A 31 -26.519 -14.552 8.123 1.00 20.00 H new ATOM 0 HB THR A 31 -26.700 -15.747 10.906 1.00 20.00 H new ATOM 0 HG1 THR A 31 -28.192 -15.967 8.582 1.00 20.00 H new ATOM 0 HG21 THR A 31 -28.322 -13.949 11.368 1.00 20.00 H new ATOM 0 HG22 THR A 31 -26.703 -13.301 11.014 1.00 20.00 H new ATOM 0 HG23 THR A 31 -27.978 -13.235 9.775 1.00 20.00 H new ATOM 625 N SER A 32 -24.128 -14.744 10.434 1.00 20.00 N ATOM 626 CA SER A 32 -22.913 -14.098 10.932 1.00 20.00 C ATOM 627 C SER A 32 -23.165 -12.643 11.325 1.00 20.00 C ATOM 628 O SER A 32 -22.394 -11.741 10.970 1.00 20.00 O ATOM 629 CB SER A 32 -21.806 -14.181 9.877 1.00 20.00 C ATOM 630 OG SER A 32 -21.541 -15.529 9.519 1.00 20.00 O ATOM 0 H SER A 32 -24.338 -15.636 10.883 1.00 20.00 H new ATOM 0 HA SER A 32 -22.596 -14.629 11.830 1.00 20.00 H new ATOM 0 HB2 SER A 32 -22.100 -13.617 8.992 1.00 20.00 H new ATOM 0 HB3 SER A 32 -20.897 -13.718 10.262 1.00 20.00 H new ATOM 0 HG SER A 32 -20.832 -15.555 8.843 1.00 20.00 H new ATOM 636 N LEU A 33 -24.250 -12.422 12.049 1.00 20.00 N ATOM 637 CA LEU A 33 -24.594 -11.101 12.543 1.00 20.00 C ATOM 638 C LEU A 33 -25.222 -11.250 13.921 1.00 20.00 C ATOM 639 O LEU A 33 -26.423 -11.497 14.039 1.00 20.00 O ATOM 640 CB LEU A 33 -25.565 -10.407 11.573 1.00 20.00 C ATOM 641 CG LEU A 33 -25.590 -8.863 11.601 1.00 20.00 C ATOM 642 CD1 LEU A 33 -26.051 -8.330 12.952 1.00 20.00 C ATOM 643 CD2 LEU A 33 -24.223 -8.291 11.243 1.00 20.00 C ATOM 0 H LEU A 33 -24.914 -13.151 12.309 1.00 20.00 H new ATOM 0 HA LEU A 33 -23.699 -10.484 12.616 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -25.319 -10.725 10.560 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -26.572 -10.767 11.784 1.00 20.00 H new ATOM 0 HG LEU A 33 -26.312 -8.538 10.852 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -26.055 -7.240 12.931 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -27.057 -8.693 13.162 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -25.371 -8.675 13.731 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -24.266 -7.202 11.269 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -23.482 -8.643 11.961 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -23.942 -8.619 10.242 1.00 20.00 H new ATOM 655 N ALA A 34 -24.389 -11.128 14.954 1.00 20.00 N ATOM 656 CA ALA A 34 -24.816 -11.333 16.338 1.00 20.00 C ATOM 657 C ALA A 34 -25.350 -12.753 16.534 1.00 20.00 C ATOM 658 O ALA A 34 -25.137 -13.628 15.691 1.00 20.00 O ATOM 659 CB ALA A 34 -25.856 -10.294 16.742 1.00 20.00 C ATOM 0 H ALA A 34 -23.403 -10.885 14.856 1.00 20.00 H new ATOM 0 HA ALA A 34 -23.949 -11.208 16.987 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -26.159 -10.465 17.775 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -25.428 -9.296 16.650 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -26.726 -10.377 16.090 1.00 20.00 H new ATOM 665 N ASP A 35 -26.023 -12.986 17.646 1.00 20.00 N ATOM 666 CA ASP A 35 -26.601 -14.295 17.917 1.00 20.00 C ATOM 667 C ASP A 35 -27.917 -14.461 17.170 1.00 20.00 C ATOM 668 O ASP A 35 -28.672 -13.501 17.009 1.00 20.00 O ATOM 669 CB ASP A 35 -26.839 -14.486 19.418 1.00 20.00 C ATOM 670 CG ASP A 35 -25.550 -14.598 20.203 1.00 20.00 C ATOM 671 OD1 ASP A 35 -24.890 -15.656 20.124 1.00 20.00 O ATOM 672 OD2 ASP A 35 -25.186 -13.628 20.902 1.00 20.00 O ATOM 0 H ASP A 35 -26.184 -12.291 18.375 1.00 20.00 H new ATOM 0 HA ASP A 35 -25.894 -15.050 17.573 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -27.420 -13.647 19.799 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -27.435 -15.385 19.576 1.00 20.00 H new ATOM 677 N PRO A 36 -28.200 -15.684 16.680 1.00 20.00 N ATOM 678 CA PRO A 36 -29.480 -16.007 16.038 1.00 20.00 C ATOM 679 C PRO A 36 -30.635 -15.918 17.030 1.00 20.00 C ATOM 680 O PRO A 36 -31.804 -15.890 16.649 1.00 20.00 O ATOM 681 CB PRO A 36 -29.301 -17.453 15.557 1.00 20.00 C ATOM 682 CG PRO A 36 -27.830 -17.696 15.579 1.00 20.00 C ATOM 683 CD PRO A 36 -27.288 -16.839 16.685 1.00 20.00 C ATOM 0 HA PRO A 36 -29.721 -15.315 15.231 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -29.825 -18.152 16.209 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -29.707 -17.587 14.554 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -27.611 -18.749 15.757 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -27.376 -17.433 14.623 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -27.300 -17.359 17.643 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -26.257 -16.541 16.497 1.00 20.00 H new ATOM 691 N ARG A 37 -30.286 -15.888 18.308 1.00 20.00 N ATOM 692 CA ARG A 37 -31.251 -15.694 19.379 1.00 20.00 C ATOM 693 C ARG A 37 -30.830 -14.500 20.232 1.00 20.00 C ATOM 694 O ARG A 37 -30.299 -14.667 21.332 1.00 20.00 O ATOM 695 CB ARG A 37 -31.356 -16.953 20.247 1.00 20.00 C ATOM 696 CG ARG A 37 -31.879 -18.177 19.509 1.00 20.00 C ATOM 697 CD ARG A 37 -33.324 -17.994 19.072 1.00 20.00 C ATOM 698 NE ARG A 37 -34.212 -17.758 20.210 1.00 20.00 N ATOM 699 CZ ARG A 37 -35.541 -17.800 20.139 1.00 20.00 C ATOM 700 NH1 ARG A 37 -36.138 -18.074 18.987 1.00 20.00 N ATOM 701 NH2 ARG A 37 -36.271 -17.567 21.222 1.00 20.00 N ATOM 0 H ARG A 37 -29.325 -15.998 18.631 1.00 20.00 H new ATOM 0 HA ARG A 37 -32.230 -15.500 18.942 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -30.372 -17.182 20.656 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -32.012 -16.744 21.092 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -31.256 -18.369 18.636 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -31.802 -19.052 20.154 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -33.390 -17.155 18.380 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -33.655 -18.881 18.531 1.00 20.00 H new ATOM 0 HE ARG A 37 -33.787 -17.548 21.113 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -35.579 -18.253 18.153 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -37.156 -18.106 18.935 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -35.814 -17.356 22.109 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -37.289 -17.599 21.167 1.00 20.00 H new ATOM 715 N PRO A 38 -31.050 -13.276 19.725 1.00 20.00 N ATOM 716 CA PRO A 38 -30.620 -12.049 20.396 1.00 20.00 C ATOM 717 C PRO A 38 -31.559 -11.650 21.527 1.00 20.00 C ATOM 718 O PRO A 38 -32.660 -12.193 21.656 1.00 20.00 O ATOM 719 CB PRO A 38 -30.664 -11.015 19.269 1.00 20.00 C ATOM 720 CG PRO A 38 -31.760 -11.484 18.377 1.00 20.00 C ATOM 721 CD PRO A 38 -31.754 -12.989 18.458 1.00 20.00 C ATOM 0 HA PRO A 38 -29.643 -12.152 20.867 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -30.866 -10.016 19.655 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -29.713 -10.966 18.738 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -32.721 -11.081 18.696 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -31.598 -11.149 17.353 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -32.767 -13.392 18.464 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -31.239 -13.433 17.606 1.00 20.00 H new ATOM 729 N ALA A 39 -31.107 -10.715 22.357 1.00 20.00 N ATOM 730 CA ALA A 39 -31.918 -10.201 23.447 1.00 20.00 C ATOM 731 C ALA A 39 -33.169 -9.536 22.902 1.00 20.00 C ATOM 732 O ALA A 39 -33.081 -8.643 22.057 1.00 20.00 O ATOM 733 CB ALA A 39 -31.117 -9.223 24.294 1.00 20.00 C ATOM 0 H ALA A 39 -30.178 -10.298 22.292 1.00 20.00 H new ATOM 0 HA ALA A 39 -32.217 -11.035 24.081 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -31.741 -8.849 25.105 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -30.247 -9.730 24.710 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -30.789 -8.389 23.674 1.00 20.00 H new ATOM 739 N ILE A 40 -34.321 -9.969 23.404 1.00 20.00 N ATOM 740 CA ILE A 40 -35.618 -9.542 22.889 1.00 20.00 C ATOM 741 C ILE A 40 -35.812 -10.048 21.460 1.00 20.00 C ATOM 742 O ILE A 40 -35.302 -9.464 20.503 1.00 20.00 O ATOM 743 CB ILE A 40 -35.797 -8.009 22.925 1.00 20.00 C ATOM 744 CG1 ILE A 40 -35.512 -7.469 24.332 1.00 20.00 C ATOM 745 CG2 ILE A 40 -37.209 -7.640 22.489 1.00 20.00 C ATOM 746 CD1 ILE A 40 -35.578 -5.960 24.430 1.00 20.00 C ATOM 0 H ILE A 40 -34.382 -10.627 24.181 1.00 20.00 H new ATOM 0 HA ILE A 40 -36.375 -9.975 23.544 1.00 20.00 H new ATOM 0 HB ILE A 40 -35.086 -7.556 22.234 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -36.229 -7.901 25.030 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -34.522 -7.802 24.646 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -37.327 -6.557 22.517 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -37.381 -7.998 21.474 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -37.930 -8.101 23.164 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -35.366 -5.652 25.454 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -34.841 -5.519 23.758 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -36.575 -5.620 24.148 1.00 20.00 H new ATOM 758 N PRO A 41 -36.551 -11.156 21.306 1.00 20.00 N ATOM 759 CA PRO A 41 -36.805 -11.768 19.998 1.00 20.00 C ATOM 760 C PRO A 41 -37.424 -10.781 19.010 1.00 20.00 C ATOM 761 O PRO A 41 -38.474 -10.192 19.282 1.00 20.00 O ATOM 762 CB PRO A 41 -37.794 -12.896 20.312 1.00 20.00 C ATOM 763 CG PRO A 41 -37.600 -13.192 21.759 1.00 20.00 C ATOM 764 CD PRO A 41 -37.200 -11.894 22.400 1.00 20.00 C ATOM 0 HA PRO A 41 -35.885 -12.112 19.526 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -38.820 -12.589 20.107 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -37.596 -13.776 19.700 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -38.516 -13.580 22.204 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -36.830 -13.951 21.902 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -38.064 -11.356 22.790 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -36.519 -12.052 23.236 1.00 20.00 H new ATOM 772 N HIS A 42 -36.779 -10.617 17.855 1.00 20.00 N ATOM 773 CA HIS A 42 -37.249 -9.674 16.843 1.00 20.00 C ATOM 774 C HIS A 42 -38.597 -10.119 16.284 1.00 20.00 C ATOM 775 O HIS A 42 -39.373 -9.306 15.789 1.00 20.00 O ATOM 776 CB HIS A 42 -36.217 -9.501 15.705 1.00 20.00 C ATOM 777 CG HIS A 42 -35.908 -10.750 14.922 1.00 20.00 C ATOM 778 ND1 HIS A 42 -34.698 -11.405 14.994 1.00 20.00 N ATOM 779 CD2 HIS A 42 -36.652 -11.447 14.028 1.00 20.00 C ATOM 780 CE1 HIS A 42 -34.714 -12.449 14.187 1.00 20.00 C ATOM 781 NE2 HIS A 42 -35.887 -12.497 13.587 1.00 20.00 N ATOM 0 H HIS A 42 -35.932 -11.124 17.598 1.00 20.00 H new ATOM 0 HA HIS A 42 -37.373 -8.704 17.325 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -36.585 -8.741 15.015 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -35.289 -9.121 16.133 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -37.661 -11.218 13.720 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -33.903 -13.147 14.042 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -36.178 -13.199 12.907 1.00 20.00 H new ATOM 790 N ASP A 43 -38.869 -11.416 16.381 1.00 20.00 N ATOM 791 CA ASP A 43 -40.132 -11.972 15.909 1.00 20.00 C ATOM 792 C ASP A 43 -41.276 -11.534 16.814 1.00 20.00 C ATOM 793 O ASP A 43 -42.392 -11.290 16.352 1.00 20.00 O ATOM 794 CB ASP A 43 -40.062 -13.499 15.850 1.00 20.00 C ATOM 795 CG ASP A 43 -41.377 -14.123 15.435 1.00 20.00 C ATOM 796 OD1 ASP A 43 -41.683 -14.130 14.223 1.00 20.00 O ATOM 797 OD2 ASP A 43 -42.110 -14.621 16.315 1.00 20.00 O ATOM 0 H ASP A 43 -38.231 -12.103 16.783 1.00 20.00 H new ATOM 0 HA ASP A 43 -40.316 -11.595 14.903 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -39.284 -13.797 15.147 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -39.773 -13.884 16.828 1.00 20.00 H new ATOM 802 N GLU A 44 -40.978 -11.422 18.104 1.00 20.00 N ATOM 803 CA GLU A 44 -41.956 -10.984 19.092 1.00 20.00 C ATOM 804 C GLU A 44 -42.328 -9.528 18.843 1.00 20.00 C ATOM 805 O GLU A 44 -43.505 -9.167 18.817 1.00 20.00 O ATOM 806 CB GLU A 44 -41.381 -11.149 20.504 1.00 20.00 C ATOM 807 CG GLU A 44 -42.317 -10.706 21.618 1.00 20.00 C ATOM 808 CD GLU A 44 -43.544 -11.585 21.740 1.00 20.00 C ATOM 809 OE1 GLU A 44 -43.408 -12.734 22.207 1.00 20.00 O ATOM 810 OE2 GLU A 44 -44.648 -11.134 21.374 1.00 20.00 O ATOM 0 H GLU A 44 -40.058 -11.631 18.492 1.00 20.00 H new ATOM 0 HA GLU A 44 -42.853 -11.597 19.003 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -41.123 -12.197 20.658 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -40.455 -10.578 20.575 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -41.776 -10.712 22.564 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -42.629 -9.678 21.436 1.00 20.00 H new ATOM 817 N VAL A 45 -41.308 -8.706 18.635 1.00 20.00 N ATOM 818 CA VAL A 45 -41.506 -7.289 18.391 1.00 20.00 C ATOM 819 C VAL A 45 -42.287 -7.069 17.106 1.00 20.00 C ATOM 820 O VAL A 45 -43.272 -6.340 17.091 1.00 20.00 O ATOM 821 CB VAL A 45 -40.166 -6.534 18.302 1.00 20.00 C ATOM 822 CG1 VAL A 45 -40.402 -5.047 18.084 1.00 20.00 C ATOM 823 CG2 VAL A 45 -39.337 -6.771 19.552 1.00 20.00 C ATOM 0 H VAL A 45 -40.332 -9.001 18.631 1.00 20.00 H new ATOM 0 HA VAL A 45 -42.072 -6.897 19.236 1.00 20.00 H new ATOM 0 HB VAL A 45 -39.610 -6.918 17.447 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -39.444 -4.531 18.024 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -40.953 -4.898 17.155 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -40.979 -4.644 18.916 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -38.394 -6.230 19.471 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -39.885 -6.416 20.425 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -39.136 -7.837 19.658 1.00 20.00 H new ATOM 833 N GLU A 46 -41.856 -7.728 16.038 1.00 20.00 N ATOM 834 CA GLU A 46 -42.475 -7.557 14.728 1.00 20.00 C ATOM 835 C GLU A 46 -43.936 -8.001 14.754 1.00 20.00 C ATOM 836 O GLU A 46 -44.792 -7.403 14.097 1.00 20.00 O ATOM 837 CB GLU A 46 -41.712 -8.349 13.668 1.00 20.00 C ATOM 838 CG GLU A 46 -42.046 -7.931 12.249 1.00 20.00 C ATOM 839 CD GLU A 46 -41.534 -6.543 11.918 1.00 20.00 C ATOM 840 OE1 GLU A 46 -42.171 -5.551 12.326 1.00 20.00 O ATOM 841 OE2 GLU A 46 -40.482 -6.439 11.252 1.00 20.00 O ATOM 0 H GLU A 46 -41.078 -8.388 16.053 1.00 20.00 H new ATOM 0 HA GLU A 46 -42.437 -6.497 14.475 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -40.642 -8.226 13.833 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -41.933 -9.410 13.788 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -41.616 -8.650 11.551 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -43.127 -7.959 12.110 1.00 20.00 H new ATOM 848 N ARG A 47 -44.212 -9.047 15.524 1.00 20.00 N ATOM 849 CA ARG A 47 -45.568 -9.560 15.665 1.00 20.00 C ATOM 850 C ARG A 47 -46.466 -8.503 16.292 1.00 20.00 C ATOM 851 O ARG A 47 -47.549 -8.205 15.784 1.00 20.00 O ATOM 852 CB ARG A 47 -45.568 -10.823 16.527 1.00 20.00 C ATOM 853 CG ARG A 47 -46.912 -11.542 16.592 1.00 20.00 C ATOM 854 CD ARG A 47 -47.309 -12.139 15.246 1.00 20.00 C ATOM 855 NE ARG A 47 -47.826 -11.135 14.312 1.00 20.00 N ATOM 856 CZ ARG A 47 -47.279 -10.851 13.127 1.00 20.00 C ATOM 857 NH1 ARG A 47 -46.145 -11.429 12.750 1.00 20.00 N ATOM 858 NH2 ARG A 47 -47.867 -9.974 12.328 1.00 20.00 N ATOM 0 H ARG A 47 -43.512 -9.557 16.062 1.00 20.00 H new ATOM 0 HA ARG A 47 -45.952 -9.808 14.676 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -44.819 -11.513 16.139 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -45.263 -10.557 17.539 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -46.863 -12.334 17.339 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -47.681 -10.843 16.919 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -46.444 -12.631 14.802 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -48.066 -12.907 15.403 1.00 20.00 H new ATOM 0 HE ARG A 47 -48.661 -10.617 14.586 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -45.683 -12.097 13.367 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -45.735 -11.205 11.843 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -48.733 -9.520 12.619 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -47.454 -9.753 11.422 1.00 20.00 H new ATOM 872 N ARG A 48 -45.996 -7.922 17.386 1.00 20.00 N ATOM 873 CA ARG A 48 -46.752 -6.900 18.092 1.00 20.00 C ATOM 874 C ARG A 48 -46.738 -5.590 17.316 1.00 20.00 C ATOM 875 O ARG A 48 -47.660 -4.784 17.427 1.00 20.00 O ATOM 876 CB ARG A 48 -46.181 -6.686 19.498 1.00 20.00 C ATOM 877 CG ARG A 48 -46.160 -7.950 20.347 1.00 20.00 C ATOM 878 CD ARG A 48 -45.648 -7.676 21.751 1.00 20.00 C ATOM 879 NE ARG A 48 -45.613 -8.893 22.561 1.00 20.00 N ATOM 880 CZ ARG A 48 -45.879 -8.931 23.866 1.00 20.00 C ATOM 881 NH1 ARG A 48 -46.184 -7.817 24.520 1.00 20.00 N ATOM 882 NH2 ARG A 48 -45.841 -10.086 24.518 1.00 20.00 N ATOM 0 H ARG A 48 -45.092 -8.142 17.804 1.00 20.00 H new ATOM 0 HA ARG A 48 -47.784 -7.240 18.181 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -45.166 -6.298 19.414 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -46.771 -5.925 20.009 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -47.165 -8.368 20.401 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -45.528 -8.699 19.869 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -44.648 -7.246 21.696 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -46.287 -6.936 22.233 1.00 20.00 H new ATOM 0 HE ARG A 48 -45.369 -9.768 22.098 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -46.216 -6.927 24.024 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -46.387 -7.851 25.519 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -45.608 -10.945 24.020 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -46.045 -10.115 25.517 1.00 20.00 H new ATOM 896 N MET A 49 -45.693 -5.398 16.520 1.00 20.00 N ATOM 897 CA MET A 49 -45.527 -4.190 15.720 1.00 20.00 C ATOM 898 C MET A 49 -46.627 -4.073 14.672 1.00 20.00 C ATOM 899 O MET A 49 -47.100 -2.976 14.377 1.00 20.00 O ATOM 900 CB MET A 49 -44.157 -4.194 15.043 1.00 20.00 C ATOM 901 CG MET A 49 -43.821 -2.895 14.332 1.00 20.00 C ATOM 902 SD MET A 49 -43.716 -1.486 15.456 1.00 20.00 S ATOM 903 CE MET A 49 -42.376 -1.999 16.530 1.00 20.00 C ATOM 0 H MET A 49 -44.937 -6.074 16.411 1.00 20.00 H new ATOM 0 HA MET A 49 -45.596 -3.329 16.385 1.00 20.00 H new ATOM 0 HB2 MET A 49 -43.392 -4.395 15.793 1.00 20.00 H new ATOM 0 HB3 MET A 49 -44.120 -5.011 14.323 1.00 20.00 H new ATOM 0 HG2 MET A 49 -42.871 -3.008 13.809 1.00 20.00 H new ATOM 0 HG3 MET A 49 -44.579 -2.694 13.575 1.00 20.00 H new ATOM 0 HE1 MET A 49 -42.075 -1.163 17.162 1.00 20.00 H new ATOM 0 HE2 MET A 49 -42.709 -2.826 17.157 1.00 20.00 H new ATOM 0 HE3 MET A 49 -41.528 -2.320 15.925 1.00 20.00 H new ATOM 913 N ALA A 50 -47.044 -5.209 14.129 1.00 20.00 N ATOM 914 CA ALA A 50 -48.110 -5.233 13.138 1.00 20.00 C ATOM 915 C ALA A 50 -49.400 -4.675 13.723 1.00 20.00 C ATOM 916 O ALA A 50 -50.145 -3.960 13.052 1.00 20.00 O ATOM 917 CB ALA A 50 -48.323 -6.647 12.629 1.00 20.00 C ATOM 0 H ALA A 50 -46.660 -6.126 14.358 1.00 20.00 H new ATOM 0 HA ALA A 50 -47.816 -4.602 12.299 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -49.123 -6.651 11.889 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -47.403 -7.011 12.171 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -48.596 -7.296 13.461 1.00 20.00 H new ATOM 923 N GLU A 51 -49.646 -4.991 14.985 1.00 20.00 N ATOM 924 CA GLU A 51 -50.822 -4.492 15.682 1.00 20.00 C ATOM 925 C GLU A 51 -50.542 -3.115 16.272 1.00 20.00 C ATOM 926 O GLU A 51 -51.459 -2.334 16.532 1.00 20.00 O ATOM 927 CB GLU A 51 -51.243 -5.465 16.782 1.00 20.00 C ATOM 928 CG GLU A 51 -51.595 -6.850 16.263 1.00 20.00 C ATOM 929 CD GLU A 51 -52.199 -7.736 17.329 1.00 20.00 C ATOM 930 OE1 GLU A 51 -53.359 -7.495 17.717 1.00 20.00 O ATOM 931 OE2 GLU A 51 -51.522 -8.684 17.781 1.00 20.00 O ATOM 0 H GLU A 51 -49.045 -5.592 15.549 1.00 20.00 H new ATOM 0 HA GLU A 51 -51.639 -4.405 14.966 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -50.435 -5.552 17.508 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -52.103 -5.054 17.310 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -52.297 -6.756 15.434 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -50.697 -7.325 15.868 1.00 20.00 H new ATOM 938 N ARG A 52 -49.263 -2.824 16.468 1.00 20.00 N ATOM 939 CA ARG A 52 -48.829 -1.530 16.971 1.00 20.00 C ATOM 940 C ARG A 52 -49.176 -0.438 15.970 1.00 20.00 C ATOM 941 O ARG A 52 -49.499 0.682 16.355 1.00 20.00 O ATOM 942 CB ARG A 52 -47.321 -1.537 17.239 1.00 20.00 C ATOM 943 CG ARG A 52 -46.773 -0.199 17.709 1.00 20.00 C ATOM 944 CD ARG A 52 -47.381 0.215 19.036 1.00 20.00 C ATOM 945 NE ARG A 52 -47.036 1.587 19.391 1.00 20.00 N ATOM 946 CZ ARG A 52 -47.413 2.177 20.521 1.00 20.00 C ATOM 947 NH1 ARG A 52 -48.115 1.499 21.422 1.00 20.00 N ATOM 948 NH2 ARG A 52 -47.082 3.441 20.752 1.00 20.00 N ATOM 0 H ARG A 52 -48.501 -3.476 16.283 1.00 20.00 H new ATOM 0 HA ARG A 52 -49.347 -1.330 17.909 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -47.099 -2.294 17.991 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -46.801 -1.832 16.327 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -45.689 -0.263 17.808 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -46.980 0.564 16.959 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -48.465 0.116 18.985 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -47.036 -0.460 19.819 1.00 20.00 H new ATOM 0 HE ARG A 52 -46.472 2.126 18.733 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -48.365 0.526 21.247 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -48.404 1.952 22.289 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -46.538 3.960 20.062 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -47.371 3.894 21.619 1.00 20.00 H new ATOM 962 N PHE A 53 -49.119 -0.777 14.689 1.00 20.00 N ATOM 963 CA PHE A 53 -49.479 0.156 13.630 1.00 20.00 C ATOM 964 C PHE A 53 -50.904 0.672 13.837 1.00 20.00 C ATOM 965 O PHE A 53 -51.184 1.855 13.644 1.00 20.00 O ATOM 966 CB PHE A 53 -49.349 -0.521 12.262 1.00 20.00 C ATOM 967 CG PHE A 53 -49.693 0.380 11.108 1.00 20.00 C ATOM 968 CD1 PHE A 53 -48.811 1.368 10.693 1.00 20.00 C ATOM 969 CD2 PHE A 53 -50.902 0.244 10.443 1.00 20.00 C ATOM 970 CE1 PHE A 53 -49.130 2.200 9.638 1.00 20.00 C ATOM 971 CE2 PHE A 53 -51.225 1.074 9.387 1.00 20.00 C ATOM 972 CZ PHE A 53 -50.339 2.053 8.984 1.00 20.00 C ATOM 0 H PHE A 53 -48.825 -1.696 14.357 1.00 20.00 H new ATOM 0 HA PHE A 53 -48.796 1.005 13.665 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -48.327 -0.880 12.139 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -49.999 -1.395 12.236 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -47.865 1.487 11.201 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -51.599 -0.520 10.754 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -48.435 2.965 9.324 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -52.170 0.957 8.877 1.00 20.00 H new ATOM 0 HZ PHE A 53 -50.590 2.703 8.159 1.00 20.00 H new ATOM 982 N ALA A 54 -51.791 -0.221 14.256 1.00 20.00 N ATOM 983 CA ALA A 54 -53.181 0.132 14.496 1.00 20.00 C ATOM 984 C ALA A 54 -53.339 0.875 15.819 1.00 20.00 C ATOM 985 O ALA A 54 -54.213 1.725 15.968 1.00 20.00 O ATOM 986 CB ALA A 54 -54.047 -1.119 14.482 1.00 20.00 C ATOM 0 H ALA A 54 -51.569 -1.200 14.437 1.00 20.00 H new ATOM 0 HA ALA A 54 -53.507 0.798 13.697 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -55.086 -0.844 14.663 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -53.964 -1.608 13.511 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -53.712 -1.802 15.262 1.00 20.00 H new ATOM 992 N LYS A 55 -52.476 0.558 16.774 1.00 20.00 N ATOM 993 CA LYS A 55 -52.537 1.170 18.096 1.00 20.00 C ATOM 994 C LYS A 55 -51.935 2.575 18.070 1.00 20.00 C ATOM 995 O LYS A 55 -52.319 3.447 18.849 1.00 20.00 O ATOM 996 CB LYS A 55 -51.802 0.294 19.115 1.00 20.00 C ATOM 997 CG LYS A 55 -52.003 0.720 20.563 1.00 20.00 C ATOM 998 CD LYS A 55 -53.465 0.655 20.966 1.00 20.00 C ATOM 999 CE LYS A 55 -53.649 0.881 22.460 1.00 20.00 C ATOM 1000 NZ LYS A 55 -53.157 2.215 22.895 1.00 20.00 N ATOM 0 H LYS A 55 -51.723 -0.121 16.659 1.00 20.00 H new ATOM 0 HA LYS A 55 -53.583 1.253 18.391 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -52.138 -0.737 19.001 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -50.736 0.309 18.888 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -51.416 0.076 21.217 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -51.632 1.736 20.699 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -54.029 1.406 20.412 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -53.875 -0.317 20.692 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -54.705 0.786 22.712 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -53.119 0.104 23.011 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -53.350 2.342 23.909 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -52.133 2.279 22.727 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -53.644 2.958 22.354 1.00 20.00 H new ATOM 1014 N MET A 56 -50.998 2.787 17.158 1.00 20.00 N ATOM 1015 CA MET A 56 -50.333 4.077 17.020 1.00 20.00 C ATOM 1016 C MET A 56 -51.095 4.967 16.036 1.00 20.00 C ATOM 1017 O MET A 56 -50.621 6.032 15.636 1.00 20.00 O ATOM 1018 CB MET A 56 -48.885 3.867 16.558 1.00 20.00 C ATOM 1019 CG MET A 56 -48.024 5.122 16.618 1.00 20.00 C ATOM 1020 SD MET A 56 -47.924 5.819 18.278 1.00 20.00 S ATOM 1021 CE MET A 56 -46.843 7.215 17.979 1.00 20.00 C ATOM 0 H MET A 56 -50.678 2.078 16.498 1.00 20.00 H new ATOM 0 HA MET A 56 -50.321 4.578 17.988 1.00 20.00 H new ATOM 0 HB2 MET A 56 -48.426 3.095 17.176 1.00 20.00 H new ATOM 0 HB3 MET A 56 -48.892 3.493 15.534 1.00 20.00 H new ATOM 0 HG2 MET A 56 -47.020 4.886 16.267 1.00 20.00 H new ATOM 0 HG3 MET A 56 -48.432 5.870 15.938 1.00 20.00 H new ATOM 0 HE1 MET A 56 -46.737 7.796 18.895 1.00 20.00 H new ATOM 0 HE2 MET A 56 -45.864 6.856 17.661 1.00 20.00 H new ATOM 0 HE3 MET A 56 -47.269 7.845 17.198 1.00 20.00 H new ATOM 1031 N ARG A 57 -52.287 4.521 15.659 1.00 20.00 N ATOM 1032 CA ARG A 57 -53.136 5.268 14.740 1.00 20.00 C ATOM 1033 C ARG A 57 -53.480 6.632 15.328 1.00 20.00 C ATOM 1034 O ARG A 57 -53.395 7.653 14.646 1.00 20.00 O ATOM 1035 CB ARG A 57 -54.412 4.482 14.439 1.00 20.00 C ATOM 1036 CG ARG A 57 -55.280 5.115 13.367 1.00 20.00 C ATOM 1037 CD ARG A 57 -56.502 4.262 13.073 1.00 20.00 C ATOM 1038 NE ARG A 57 -57.273 4.782 11.949 1.00 20.00 N ATOM 1039 CZ ARG A 57 -58.257 4.116 11.350 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -58.638 2.926 11.807 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -58.869 4.647 10.303 1.00 20.00 N ATOM 0 H ARG A 57 -52.689 3.640 15.978 1.00 20.00 H new ATOM 0 HA ARG A 57 -52.592 5.418 13.807 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -54.142 3.473 14.126 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -54.994 4.386 15.356 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -55.595 6.107 13.690 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -54.698 5.247 12.455 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -56.188 3.241 12.856 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -57.136 4.219 13.959 1.00 20.00 H new ATOM 0 HE ARG A 57 -57.044 5.713 11.601 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -58.175 2.520 12.620 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -59.393 2.420 11.344 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -58.586 5.564 9.958 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -59.624 4.139 9.842 1.00 20.00 H new ATOM 1055 N LYS A 58 -53.865 6.645 16.597 1.00 20.00 N ATOM 1056 CA LYS A 58 -54.117 7.893 17.295 1.00 20.00 C ATOM 1057 C LYS A 58 -52.883 8.296 18.099 1.00 20.00 C ATOM 1058 O LYS A 58 -52.623 7.777 19.185 1.00 20.00 O ATOM 1059 CB LYS A 58 -55.364 7.788 18.189 1.00 20.00 C ATOM 1060 CG LYS A 58 -55.319 6.656 19.207 1.00 20.00 C ATOM 1061 CD LYS A 58 -56.610 6.565 20.013 1.00 20.00 C ATOM 1062 CE LYS A 58 -56.904 7.850 20.776 1.00 20.00 C ATOM 1063 NZ LYS A 58 -55.809 8.204 21.717 1.00 20.00 N ATOM 0 H LYS A 58 -54.009 5.807 17.160 1.00 20.00 H new ATOM 0 HA LYS A 58 -54.317 8.672 16.559 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -55.496 8.731 18.719 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -56.240 7.654 17.554 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -55.145 5.711 18.692 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -54.478 6.809 19.884 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -57.440 6.345 19.342 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -56.540 5.735 20.716 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -57.051 8.666 20.068 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -57.836 7.737 21.330 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -56.107 9.004 22.311 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -55.593 7.386 22.322 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -54.960 8.470 21.178 1.00 20.00 H new ATOM 1077 N GLU A 59 -52.115 9.210 17.539 1.00 20.00 N ATOM 1078 CA GLU A 59 -50.867 9.641 18.141 1.00 20.00 C ATOM 1079 C GLU A 59 -51.119 10.753 19.158 1.00 20.00 C ATOM 1080 O GLU A 59 -51.411 11.892 18.794 1.00 20.00 O ATOM 1081 CB GLU A 59 -49.909 10.111 17.046 1.00 20.00 C ATOM 1082 CG GLU A 59 -48.552 10.550 17.558 1.00 20.00 C ATOM 1083 CD GLU A 59 -47.601 10.913 16.437 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -47.906 11.853 15.673 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -46.543 10.266 16.315 1.00 20.00 O ATOM 0 H GLU A 59 -52.336 9.673 16.658 1.00 20.00 H new ATOM 0 HA GLU A 59 -50.414 8.802 18.670 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -49.770 9.303 16.328 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -50.368 10.940 16.508 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -48.676 11.409 18.218 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -48.116 9.749 18.156 1.00 20.00 H new ATOM 1092 N ARG A 60 -51.008 10.410 20.435 1.00 20.00 N ATOM 1093 CA ARG A 60 -51.262 11.362 21.517 1.00 20.00 C ATOM 1094 C ARG A 60 -50.018 12.204 21.809 1.00 20.00 C ATOM 1095 O ARG A 60 -50.030 13.069 22.686 1.00 20.00 O ATOM 1096 CB ARG A 60 -51.722 10.628 22.792 1.00 20.00 C ATOM 1097 CG ARG A 60 -50.605 9.966 23.603 1.00 20.00 C ATOM 1098 CD ARG A 60 -49.845 8.911 22.809 1.00 20.00 C ATOM 1099 NE ARG A 60 -50.713 7.841 22.326 1.00 20.00 N ATOM 1100 CZ ARG A 60 -50.317 6.888 21.483 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -49.069 6.874 21.029 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -51.172 5.952 21.096 1.00 20.00 N ATOM 0 H ARG A 60 -50.743 9.477 20.751 1.00 20.00 H new ATOM 0 HA ARG A 60 -52.060 12.031 21.194 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -52.242 11.339 23.434 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -52.446 9.864 22.510 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -49.907 10.731 23.943 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -51.033 9.506 24.494 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -49.352 9.385 21.960 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -49.062 8.484 23.435 1.00 20.00 H new ATOM 0 HE ARG A 60 -51.679 7.822 22.653 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -48.410 7.594 21.326 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -48.769 6.143 20.384 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -52.131 5.962 21.443 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -50.871 5.222 20.451 1.00 20.00 H new ATOM 1116 N SER A 61 -48.950 11.934 21.070 1.00 20.00 N ATOM 1117 CA SER A 61 -47.699 12.664 21.205 1.00 20.00 C ATOM 1118 C SER A 61 -46.804 12.331 20.017 1.00 20.00 C ATOM 1119 O SER A 61 -46.526 11.159 19.767 1.00 20.00 O ATOM 1120 CB SER A 61 -46.997 12.296 22.519 1.00 20.00 C ATOM 1121 OG SER A 61 -45.936 13.193 22.805 1.00 20.00 O ATOM 0 H SER A 61 -48.928 11.202 20.360 1.00 20.00 H new ATOM 0 HA SER A 61 -47.905 13.734 21.223 1.00 20.00 H new ATOM 0 HB2 SER A 61 -47.719 12.311 23.336 1.00 20.00 H new ATOM 0 HB3 SER A 61 -46.609 11.279 22.454 1.00 20.00 H new ATOM 0 HG SER A 61 -45.508 12.935 23.648 1.00 20.00 H new ATOM 1127 N LYS A 62 -46.374 13.350 19.282 1.00 20.00 N ATOM 1128 CA LYS A 62 -45.607 13.141 18.059 1.00 20.00 C ATOM 1129 C LYS A 62 -44.305 12.392 18.340 1.00 20.00 C ATOM 1130 O LYS A 62 -43.428 12.890 19.048 1.00 20.00 O ATOM 1131 CB LYS A 62 -45.318 14.483 17.376 1.00 20.00 C ATOM 1132 CG LYS A 62 -44.461 14.369 16.121 1.00 20.00 C ATOM 1133 CD LYS A 62 -45.035 13.363 15.135 1.00 20.00 C ATOM 1134 CE LYS A 62 -44.216 13.298 13.856 1.00 20.00 C ATOM 1135 NZ LYS A 62 -44.368 14.529 13.036 1.00 20.00 N ATOM 0 H LYS A 62 -46.543 14.329 19.511 1.00 20.00 H new ATOM 0 HA LYS A 62 -46.206 12.526 17.388 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -46.264 14.957 17.115 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -44.817 15.140 18.087 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -44.386 15.345 15.642 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -43.450 14.071 16.397 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -45.065 12.377 15.598 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -46.063 13.635 14.895 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -43.164 13.156 14.105 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -44.525 12.432 13.271 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -43.920 14.386 12.108 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -45.379 14.736 12.905 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -43.911 15.328 13.521 1.00 20.00 H new ATOM 1149 N GLN A 63 -44.196 11.192 17.789 1.00 20.00 N ATOM 1150 CA GLN A 63 -43.002 10.382 17.953 1.00 20.00 C ATOM 1151 C GLN A 63 -42.428 10.011 16.593 1.00 20.00 C ATOM 1152 O GLN A 63 -41.369 10.555 16.230 1.00 20.00 O ATOM 1153 CB GLN A 63 -43.305 9.118 18.762 1.00 20.00 C ATOM 1154 CG GLN A 63 -42.082 8.243 18.987 1.00 20.00 C ATOM 1155 CD GLN A 63 -42.375 7.003 19.808 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -41.508 6.506 20.527 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -43.590 6.492 19.712 1.00 20.00 N ATOM 1158 OXT GLN A 63 -43.046 9.186 15.884 1.00 20.00 O ATOM 0 H GLN A 63 -44.925 10.758 17.222 1.00 20.00 H new ATOM 0 HA GLN A 63 -42.265 10.969 18.501 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -43.722 9.404 19.728 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -44.069 8.538 18.244 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -41.676 7.943 18.021 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -41.312 8.829 19.489 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -44.282 6.932 19.105 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -43.836 5.658 20.245 1.00 20.00 H new TER 1167 GLN A 63