USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 491 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 44 ASN : amide:sc= 1.93 K(o=5.8,f=-0.93) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -161:sc= 0.254 (180deg=-0.124) USER MOD Set 1.3: A 51 GLN : amide:sc= 2.82 K(o=5.8,f=-0.93) USER MOD Set 1.4: A 53 LYS NZ :NH3+ -170:sc= 0.814 (180deg=0.64) USER MOD Set 2.1: A 47 GLN : amide:sc= 2.04 K(o=3,f=-7.3!) USER MOD Set 2.2: A 50 SER OG : rot 82:sc= 0.951 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.0736 (180deg=-0.2) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.0968 (180deg=-0.441) USER MOD Single : A 3 SER OG : rot 180:sc= 0.114 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 0.951 (180deg=0.678) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.062) USER MOD Single : A 21 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.398) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 30 THR OG1 : rot 81:sc= 2.19 USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.12 USER MOD Single : A 33 SER OG : rot 78:sc= 1.17 USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.584 (180deg=-0.0171) USER MOD Single : A 36 SER OG : rot 77:sc= 1.18 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc=-0.00822 (180deg=-0.14) USER MOD Single : A 40 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 170:sc= 0 (180deg=-0.0363) USER MOD Single : A 48 GLN : amide:sc= 1.12 K(o=1.1,f=-0.78) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00524) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.358 11.826 10.296 1.00 0.00 N ATOM 2 CA MET A 1 -16.895 11.141 9.131 1.00 0.00 C ATOM 3 C MET A 1 -16.115 9.851 8.837 1.00 0.00 C ATOM 4 O MET A 1 -16.003 9.429 7.686 1.00 0.00 O ATOM 5 CB MET A 1 -16.953 12.114 7.942 1.00 0.00 C ATOM 6 CG MET A 1 -15.575 12.643 7.515 1.00 0.00 C ATOM 7 SD MET A 1 -15.574 13.880 6.189 1.00 0.00 S ATOM 8 CE MET A 1 -16.336 12.941 4.851 1.00 0.00 C ATOM 0 H1 MET A 1 -16.749 12.789 10.344 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.618 11.303 11.157 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.322 11.877 10.222 1.00 0.00 H new ATOM 0 HA MET A 1 -17.917 10.820 9.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.419 11.612 7.094 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.592 12.957 8.204 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.087 13.076 8.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.966 11.797 7.196 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.294 13.521 3.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.799 12.002 4.714 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.376 12.731 5.100 1.00 0.00 H new ATOM 18 N ALA A 2 -15.592 9.220 9.895 1.00 0.00 N ATOM 19 CA ALA A 2 -14.781 8.009 9.834 1.00 0.00 C ATOM 20 C ALA A 2 -15.358 6.996 8.845 1.00 0.00 C ATOM 21 O ALA A 2 -14.677 6.593 7.906 1.00 0.00 O ATOM 22 CB ALA A 2 -14.648 7.404 11.235 1.00 0.00 C ATOM 0 H ALA A 2 -15.730 9.554 10.849 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.788 8.276 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.042 6.500 11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.170 8.125 11.899 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.637 7.156 11.620 1.00 0.00 H new ATOM 28 N SER A 3 -16.628 6.629 9.020 1.00 0.00 N ATOM 29 CA SER A 3 -17.349 5.714 8.153 1.00 0.00 C ATOM 30 C SER A 3 -17.200 6.077 6.670 1.00 0.00 C ATOM 31 O SER A 3 -16.982 5.202 5.832 1.00 0.00 O ATOM 32 CB SER A 3 -18.820 5.728 8.582 1.00 0.00 C ATOM 33 OG SER A 3 -18.889 5.873 9.991 1.00 0.00 O ATOM 0 H SER A 3 -17.195 6.974 9.794 1.00 0.00 H new ATOM 0 HA SER A 3 -16.930 4.713 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.347 6.547 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.311 4.805 8.274 1.00 0.00 H new ATOM 0 HG SER A 3 -19.827 5.885 10.273 1.00 0.00 H new ATOM 39 N VAL A 4 -17.308 7.372 6.353 1.00 0.00 N ATOM 40 CA VAL A 4 -17.185 7.861 4.990 1.00 0.00 C ATOM 41 C VAL A 4 -15.755 7.626 4.509 1.00 0.00 C ATOM 42 O VAL A 4 -15.545 7.041 3.448 1.00 0.00 O ATOM 43 CB VAL A 4 -17.602 9.337 4.877 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.573 9.779 3.408 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.013 9.555 5.438 1.00 0.00 C ATOM 0 H VAL A 4 -17.483 8.105 7.040 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.868 7.309 4.344 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.896 9.931 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -17.870 10.825 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.564 9.660 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.264 9.166 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.283 10.607 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.725 8.948 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.036 9.266 6.489 1.00 0.00 H new ATOM 55 N LEU A 5 -14.767 8.059 5.298 1.00 0.00 N ATOM 56 CA LEU A 5 -13.366 7.848 4.949 1.00 0.00 C ATOM 57 C LEU A 5 -13.110 6.365 4.669 1.00 0.00 C ATOM 58 O LEU A 5 -12.538 6.015 3.639 1.00 0.00 O ATOM 59 CB LEU A 5 -12.427 8.369 6.048 1.00 0.00 C ATOM 60 CG LEU A 5 -12.655 9.841 6.434 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.627 10.252 7.492 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.560 10.786 5.231 1.00 0.00 C ATOM 0 H LEU A 5 -14.914 8.555 6.177 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.153 8.417 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.549 7.750 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.396 8.249 5.715 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.667 9.923 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.786 11.295 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.741 9.622 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.622 10.133 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.729 11.811 5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.569 10.707 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.314 10.513 4.493 1.00 0.00 H new ATOM 74 N GLU A 6 -13.566 5.495 5.573 1.00 0.00 N ATOM 75 CA GLU A 6 -13.430 4.053 5.454 1.00 0.00 C ATOM 76 C GLU A 6 -14.044 3.547 4.145 1.00 0.00 C ATOM 77 O GLU A 6 -13.351 2.912 3.352 1.00 0.00 O ATOM 78 CB GLU A 6 -14.058 3.371 6.677 1.00 0.00 C ATOM 79 CG GLU A 6 -13.236 3.628 7.948 1.00 0.00 C ATOM 80 CD GLU A 6 -13.982 3.164 9.194 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.013 1.934 9.411 1.00 0.00 O ATOM 82 OE2 GLU A 6 -14.519 4.047 9.899 1.00 0.00 O ATOM 0 H GLU A 6 -14.049 5.786 6.423 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.371 3.798 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.074 3.739 6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.130 2.298 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.281 3.106 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.013 4.692 8.030 1.00 0.00 H new ATOM 89 N GLU A 7 -15.338 3.793 3.906 1.00 0.00 N ATOM 90 CA GLU A 7 -15.979 3.237 2.717 1.00 0.00 C ATOM 91 C GLU A 7 -15.356 3.790 1.430 1.00 0.00 C ATOM 92 O GLU A 7 -15.128 3.040 0.481 1.00 0.00 O ATOM 93 CB GLU A 7 -17.507 3.379 2.773 1.00 0.00 C ATOM 94 CG GLU A 7 -17.997 4.821 2.616 1.00 0.00 C ATOM 95 CD GLU A 7 -19.487 4.946 2.917 1.00 0.00 C ATOM 96 OE1 GLU A 7 -20.255 4.197 2.276 1.00 0.00 O ATOM 97 OE2 GLU A 7 -19.832 5.780 3.781 1.00 0.00 O ATOM 0 H GLU A 7 -15.944 4.357 4.503 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.786 2.164 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.949 2.767 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.865 2.984 3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.435 5.471 3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.801 5.163 1.600 1.00 0.00 H new ATOM 104 N LEU A 8 -15.043 5.089 1.386 1.00 0.00 N ATOM 105 CA LEU A 8 -14.388 5.665 0.220 1.00 0.00 C ATOM 106 C LEU A 8 -13.002 5.045 0.021 1.00 0.00 C ATOM 107 O LEU A 8 -12.649 4.680 -1.098 1.00 0.00 O ATOM 108 CB LEU A 8 -14.334 7.195 0.324 1.00 0.00 C ATOM 109 CG LEU A 8 -15.723 7.859 0.295 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.527 9.375 0.340 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.544 7.496 -0.948 1.00 0.00 C ATOM 0 H LEU A 8 -15.232 5.751 2.139 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.977 5.429 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.827 7.471 1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.735 7.587 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.282 7.494 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.499 9.868 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.000 9.647 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.942 9.692 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.511 7.997 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.010 7.815 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.696 6.417 -0.981 1.00 0.00 H new ATOM 123 N GLN A 9 -12.221 4.881 1.091 1.00 0.00 N ATOM 124 CA GLN A 9 -10.944 4.181 1.022 1.00 0.00 C ATOM 125 C GLN A 9 -11.132 2.761 0.471 1.00 0.00 C ATOM 126 O GLN A 9 -10.380 2.332 -0.403 1.00 0.00 O ATOM 127 CB GLN A 9 -10.261 4.189 2.396 1.00 0.00 C ATOM 128 CG GLN A 9 -8.897 3.490 2.360 1.00 0.00 C ATOM 129 CD GLN A 9 -8.164 3.660 3.685 1.00 0.00 C ATOM 130 OE1 GLN A 9 -8.251 2.810 4.563 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.438 4.763 3.844 1.00 0.00 N ATOM 0 H GLN A 9 -12.456 5.228 2.021 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.286 4.704 0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.133 5.218 2.732 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.904 3.694 3.124 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.033 2.429 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.294 3.902 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.386 5.452 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.933 4.920 4.716 1.00 0.00 H new ATOM 140 N LYS A 10 -12.134 2.029 0.961 1.00 0.00 N ATOM 141 CA LYS A 10 -12.440 0.707 0.435 1.00 0.00 C ATOM 142 C LYS A 10 -12.725 0.794 -1.067 1.00 0.00 C ATOM 143 O LYS A 10 -12.170 0.023 -1.845 1.00 0.00 O ATOM 144 CB LYS A 10 -13.591 0.063 1.222 1.00 0.00 C ATOM 145 CG LYS A 10 -13.950 -1.352 0.740 1.00 0.00 C ATOM 146 CD LYS A 10 -12.781 -2.339 0.874 1.00 0.00 C ATOM 147 CE LYS A 10 -13.222 -3.751 0.478 1.00 0.00 C ATOM 148 NZ LYS A 10 -12.125 -4.719 0.657 1.00 0.00 N ATOM 0 H LYS A 10 -12.744 2.333 1.720 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.575 0.056 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.320 0.021 2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.473 0.699 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.800 -1.722 1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.264 -1.307 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.953 -2.019 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.415 -2.341 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.078 -4.051 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.549 -3.755 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.306 -5.560 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.226 -4.283 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.068 -4.998 1.657 1.00 0.00 H new ATOM 162 N ASP A 11 -13.553 1.750 -1.496 1.00 0.00 N ATOM 163 CA ASP A 11 -13.815 1.955 -2.917 1.00 0.00 C ATOM 164 C ASP A 11 -12.515 2.224 -3.689 1.00 0.00 C ATOM 165 O ASP A 11 -12.308 1.681 -4.772 1.00 0.00 O ATOM 166 CB ASP A 11 -14.833 3.083 -3.115 1.00 0.00 C ATOM 167 CG ASP A 11 -15.233 3.209 -4.580 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.647 2.179 -5.154 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.117 4.340 -5.098 1.00 0.00 O ATOM 0 H ASP A 11 -14.051 2.391 -0.879 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.245 1.039 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.718 2.889 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.409 4.025 -2.768 1.00 0.00 H new ATOM 174 N LEU A 12 -11.623 3.039 -3.118 1.00 0.00 N ATOM 175 CA LEU A 12 -10.294 3.306 -3.652 1.00 0.00 C ATOM 176 C LEU A 12 -9.559 1.975 -3.877 1.00 0.00 C ATOM 177 O LEU A 12 -9.063 1.696 -4.971 1.00 0.00 O ATOM 178 CB LEU A 12 -9.537 4.258 -2.707 1.00 0.00 C ATOM 179 CG LEU A 12 -8.574 5.217 -3.425 1.00 0.00 C ATOM 180 CD1 LEU A 12 -7.968 6.176 -2.394 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.448 4.468 -4.138 1.00 0.00 C ATOM 0 H LEU A 12 -11.815 3.541 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.361 3.806 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.262 4.843 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.973 3.666 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.140 5.764 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.283 6.861 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.764 6.745 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.425 5.605 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.791 5.184 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.876 3.893 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.873 3.793 -4.881 1.00 0.00 H new ATOM 193 N GLU A 13 -9.522 1.125 -2.846 1.00 0.00 N ATOM 194 CA GLU A 13 -8.946 -0.210 -2.944 1.00 0.00 C ATOM 195 C GLU A 13 -9.600 -1.000 -4.086 1.00 0.00 C ATOM 196 O GLU A 13 -8.898 -1.595 -4.900 1.00 0.00 O ATOM 197 CB GLU A 13 -9.064 -0.937 -1.596 1.00 0.00 C ATOM 198 CG GLU A 13 -8.277 -2.253 -1.581 1.00 0.00 C ATOM 199 CD GLU A 13 -8.487 -2.996 -0.267 1.00 0.00 C ATOM 200 OE1 GLU A 13 -9.562 -3.622 -0.138 1.00 0.00 O ATOM 201 OE2 GLU A 13 -7.582 -2.909 0.591 1.00 0.00 O ATOM 0 H GLU A 13 -9.892 1.348 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.885 -0.125 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.699 -0.287 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.114 -1.140 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.594 -2.881 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.216 -2.049 -1.723 1.00 0.00 H new ATOM 208 N GLU A 14 -10.933 -1.011 -4.159 1.00 0.00 N ATOM 209 CA GLU A 14 -11.645 -1.701 -5.228 1.00 0.00 C ATOM 210 C GLU A 14 -11.174 -1.215 -6.602 1.00 0.00 C ATOM 211 O GLU A 14 -10.840 -2.036 -7.457 1.00 0.00 O ATOM 212 CB GLU A 14 -13.165 -1.564 -5.066 1.00 0.00 C ATOM 213 CG GLU A 14 -13.674 -2.321 -3.831 1.00 0.00 C ATOM 214 CD GLU A 14 -15.165 -2.086 -3.613 1.00 0.00 C ATOM 215 OE1 GLU A 14 -15.946 -2.596 -4.445 1.00 0.00 O ATOM 216 OE2 GLU A 14 -15.496 -1.404 -2.619 1.00 0.00 O ATOM 0 H GLU A 14 -11.541 -0.546 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.410 -2.763 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.429 -0.510 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.662 -1.946 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.486 -3.388 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.120 -1.998 -2.950 1.00 0.00 H new ATOM 223 N VAL A 15 -11.128 0.101 -6.837 1.00 0.00 N ATOM 224 CA VAL A 15 -10.659 0.586 -8.131 1.00 0.00 C ATOM 225 C VAL A 15 -9.190 0.229 -8.371 1.00 0.00 C ATOM 226 O VAL A 15 -8.857 -0.125 -9.496 1.00 0.00 O ATOM 227 CB VAL A 15 -11.009 2.057 -8.409 1.00 0.00 C ATOM 228 CG1 VAL A 15 -10.378 3.039 -7.425 1.00 0.00 C ATOM 229 CG2 VAL A 15 -10.608 2.458 -9.833 1.00 0.00 C ATOM 0 H VAL A 15 -11.400 0.824 -6.171 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.226 0.046 -8.889 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.090 2.119 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.671 4.056 -7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.719 2.812 -6.415 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.292 2.952 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.867 3.503 -10.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.534 2.325 -9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -11.138 1.832 -10.550 1.00 0.00 H new ATOM 239 N LYS A 16 -8.315 0.263 -7.357 1.00 0.00 N ATOM 240 CA LYS A 16 -6.960 -0.272 -7.529 1.00 0.00 C ATOM 241 C LYS A 16 -7.007 -1.724 -8.026 1.00 0.00 C ATOM 242 O LYS A 16 -6.460 -2.054 -9.078 1.00 0.00 O ATOM 243 CB LYS A 16 -6.146 -0.178 -6.234 1.00 0.00 C ATOM 244 CG LYS A 16 -5.662 1.247 -5.968 1.00 0.00 C ATOM 245 CD LYS A 16 -4.823 1.247 -4.686 1.00 0.00 C ATOM 246 CE LYS A 16 -4.169 2.608 -4.442 1.00 0.00 C ATOM 247 NZ LYS A 16 -3.091 2.887 -5.408 1.00 0.00 N ATOM 0 H LYS A 16 -8.514 0.645 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.462 0.340 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.756 -0.517 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.288 -0.848 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.069 1.608 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.512 1.922 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.455 0.989 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.052 0.479 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.925 3.390 -4.508 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.765 2.639 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.576 3.742 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.434 2.081 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.501 3.034 -6.352 1.00 0.00 H new ATOM 261 N VAL A 17 -7.675 -2.591 -7.266 1.00 0.00 N ATOM 262 CA VAL A 17 -7.849 -3.998 -7.615 1.00 0.00 C ATOM 263 C VAL A 17 -8.304 -4.140 -9.077 1.00 0.00 C ATOM 264 O VAL A 17 -7.674 -4.855 -9.860 1.00 0.00 O ATOM 265 CB VAL A 17 -8.808 -4.656 -6.601 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.313 -6.031 -7.050 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.106 -4.822 -5.245 1.00 0.00 C ATOM 0 H VAL A 17 -8.114 -2.333 -6.382 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.899 -4.528 -7.550 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.668 -3.991 -6.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.982 -6.438 -6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.850 -5.931 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.466 -6.704 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.790 -5.287 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.225 -5.452 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.804 -3.844 -4.870 1.00 0.00 H new ATOM 277 N LEU A 18 -9.379 -3.446 -9.460 1.00 0.00 N ATOM 278 CA LEU A 18 -9.906 -3.524 -10.816 1.00 0.00 C ATOM 279 C LEU A 18 -8.922 -2.986 -11.857 1.00 0.00 C ATOM 280 O LEU A 18 -8.699 -3.647 -12.868 1.00 0.00 O ATOM 281 CB LEU A 18 -11.249 -2.797 -10.929 1.00 0.00 C ATOM 282 CG LEU A 18 -12.392 -3.489 -10.169 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.640 -2.612 -10.293 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.712 -4.882 -10.730 1.00 0.00 C ATOM 0 H LEU A 18 -9.900 -2.822 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.060 -4.582 -11.028 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.135 -1.781 -10.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.521 -2.716 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.083 -3.617 -9.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.468 -3.081 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.440 -1.631 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.902 -2.498 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.526 -5.327 -10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.009 -4.794 -11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.828 -5.516 -10.656 1.00 0.00 H new ATOM 296 N LEU A 19 -8.358 -1.793 -11.650 1.00 0.00 N ATOM 297 CA LEU A 19 -7.470 -1.163 -12.624 1.00 0.00 C ATOM 298 C LEU A 19 -6.230 -2.032 -12.848 1.00 0.00 C ATOM 299 O LEU A 19 -5.732 -2.130 -13.965 1.00 0.00 O ATOM 300 CB LEU A 19 -7.195 0.316 -12.269 1.00 0.00 C ATOM 301 CG LEU A 19 -6.075 0.610 -11.255 1.00 0.00 C ATOM 302 CD1 LEU A 19 -4.680 0.665 -11.894 1.00 0.00 C ATOM 303 CD2 LEU A 19 -6.327 1.972 -10.597 1.00 0.00 C ATOM 0 H LEU A 19 -8.505 -1.241 -10.805 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.962 -1.108 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.959 0.845 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.119 0.746 -11.883 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.093 -0.208 -10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.936 0.876 -11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.456 -0.293 -12.362 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.656 1.452 -12.648 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.534 2.181 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.338 2.749 -11.361 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.288 1.955 -10.083 1.00 0.00 H new ATOM 315 N GLU A 20 -5.748 -2.699 -11.795 1.00 0.00 N ATOM 316 CA GLU A 20 -4.695 -3.693 -11.929 1.00 0.00 C ATOM 317 C GLU A 20 -5.179 -4.869 -12.787 1.00 0.00 C ATOM 318 O GLU A 20 -4.609 -5.150 -13.840 1.00 0.00 O ATOM 319 CB GLU A 20 -4.254 -4.163 -10.536 1.00 0.00 C ATOM 320 CG GLU A 20 -3.516 -3.057 -9.766 1.00 0.00 C ATOM 321 CD GLU A 20 -3.403 -3.380 -8.279 1.00 0.00 C ATOM 322 OE1 GLU A 20 -3.274 -4.584 -7.964 1.00 0.00 O ATOM 323 OE2 GLU A 20 -3.449 -2.419 -7.481 1.00 0.00 O ATOM 0 H GLU A 20 -6.076 -2.563 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.836 -3.249 -12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.127 -4.481 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.604 -5.032 -10.635 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.519 -2.925 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.043 -2.112 -9.893 1.00 0.00 H new ATOM 330 N LYS A 21 -6.211 -5.579 -12.320 1.00 0.00 N ATOM 331 CA LYS A 21 -6.634 -6.842 -12.916 1.00 0.00 C ATOM 332 C LYS A 21 -7.188 -6.678 -14.334 1.00 0.00 C ATOM 333 O LYS A 21 -6.758 -7.354 -15.264 1.00 0.00 O ATOM 334 CB LYS A 21 -7.676 -7.507 -12.007 1.00 0.00 C ATOM 335 CG LYS A 21 -7.031 -8.021 -10.716 1.00 0.00 C ATOM 336 CD LYS A 21 -8.116 -8.508 -9.750 1.00 0.00 C ATOM 337 CE LYS A 21 -7.521 -9.310 -8.584 1.00 0.00 C ATOM 338 NZ LYS A 21 -6.431 -8.591 -7.900 1.00 0.00 N ATOM 0 H LYS A 21 -6.773 -5.291 -11.519 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.751 -7.476 -13.004 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.462 -6.792 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.150 -8.334 -12.535 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.341 -8.834 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.446 -7.228 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.666 -7.652 -9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.832 -9.128 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.308 -9.538 -7.865 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.145 -10.262 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.372 -8.909 -6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.530 -8.787 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.621 -7.569 -7.924 1.00 0.00 H new ATOM 352 N SER A 22 -8.191 -5.820 -14.500 1.00 0.00 N ATOM 353 CA SER A 22 -8.937 -5.693 -15.743 1.00 0.00 C ATOM 354 C SER A 22 -8.213 -4.730 -16.686 1.00 0.00 C ATOM 355 O SER A 22 -8.797 -3.726 -17.090 1.00 0.00 O ATOM 356 CB SER A 22 -10.349 -5.195 -15.414 1.00 0.00 C ATOM 357 OG SER A 22 -10.965 -6.042 -14.464 1.00 0.00 O ATOM 0 H SER A 22 -8.510 -5.188 -13.766 1.00 0.00 H new ATOM 0 HA SER A 22 -9.009 -6.657 -16.246 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.301 -4.178 -15.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.950 -5.161 -16.323 1.00 0.00 H new ATOM 0 HG SER A 22 -11.865 -5.709 -14.264 1.00 0.00 H new ATOM 363 N THR A 23 -6.965 -5.047 -17.043 1.00 0.00 N ATOM 364 CA THR A 23 -6.007 -4.190 -17.742 1.00 0.00 C ATOM 365 C THR A 23 -6.333 -3.852 -19.212 1.00 0.00 C ATOM 366 O THR A 23 -5.442 -3.854 -20.059 1.00 0.00 O ATOM 367 CB THR A 23 -4.612 -4.838 -17.598 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.586 -5.768 -16.528 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.511 -3.798 -17.376 1.00 0.00 C ATOM 0 H THR A 23 -6.574 -5.966 -16.838 1.00 0.00 H new ATOM 0 HA THR A 23 -6.053 -3.210 -17.266 1.00 0.00 H new ATOM 0 HB THR A 23 -4.419 -5.354 -18.538 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.600 -5.286 -15.675 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.549 -4.301 -17.281 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.480 -3.114 -18.224 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.719 -3.237 -16.465 1.00 0.00 H new ATOM 377 N ARG A 24 -7.590 -3.537 -19.529 1.00 0.00 N ATOM 378 CA ARG A 24 -7.995 -2.995 -20.820 1.00 0.00 C ATOM 379 C ARG A 24 -7.929 -1.461 -20.767 1.00 0.00 C ATOM 380 O ARG A 24 -7.509 -0.877 -19.771 1.00 0.00 O ATOM 381 CB ARG A 24 -9.408 -3.489 -21.165 1.00 0.00 C ATOM 382 CG ARG A 24 -9.527 -5.016 -21.061 1.00 0.00 C ATOM 383 CD ARG A 24 -10.880 -5.503 -21.589 1.00 0.00 C ATOM 384 NE ARG A 24 -11.997 -4.932 -20.823 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.293 -5.131 -21.107 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.651 -5.917 -22.129 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.227 -4.537 -20.358 1.00 0.00 N ATOM 0 H ARG A 24 -8.368 -3.655 -18.880 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.320 -3.339 -21.604 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.129 -3.023 -20.493 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.665 -3.174 -22.176 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.722 -5.486 -21.627 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.407 -5.323 -20.022 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.981 -5.230 -22.639 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.921 -6.591 -21.537 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.771 -4.344 -20.021 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.936 -6.370 -22.699 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.639 -6.063 -22.338 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.952 -3.939 -19.579 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.215 -4.682 -20.565 1.00 0.00 H new ATOM 401 N LYS A 25 -8.425 -0.785 -21.808 1.00 0.00 N ATOM 402 CA LYS A 25 -8.531 0.671 -21.813 1.00 0.00 C ATOM 403 C LYS A 25 -9.360 1.207 -20.632 1.00 0.00 C ATOM 404 O LYS A 25 -9.168 2.347 -20.206 1.00 0.00 O ATOM 405 CB LYS A 25 -9.082 1.157 -23.163 1.00 0.00 C ATOM 406 CG LYS A 25 -10.494 0.638 -23.486 1.00 0.00 C ATOM 407 CD LYS A 25 -11.086 1.322 -24.729 1.00 0.00 C ATOM 408 CE LYS A 25 -10.271 1.111 -26.012 1.00 0.00 C ATOM 409 NZ LYS A 25 -10.098 -0.316 -26.333 1.00 0.00 N ATOM 0 H LYS A 25 -8.761 -1.230 -22.662 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.528 1.076 -21.682 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.097 2.247 -23.167 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.401 0.845 -23.955 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.457 -0.439 -23.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.148 0.809 -22.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.097 0.948 -24.889 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.169 2.392 -24.536 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.769 1.611 -26.843 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.292 1.578 -25.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.601 -0.410 -27.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.541 -0.775 -25.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.030 -0.772 -26.400 1.00 0.00 H new ATOM 423 N ARG A 26 -10.278 0.383 -20.103 1.00 0.00 N ATOM 424 CA ARG A 26 -11.255 0.798 -19.101 1.00 0.00 C ATOM 425 C ARG A 26 -10.621 1.449 -17.875 1.00 0.00 C ATOM 426 O ARG A 26 -11.302 2.196 -17.176 1.00 0.00 O ATOM 427 CB ARG A 26 -12.163 -0.362 -18.670 1.00 0.00 C ATOM 428 CG ARG A 26 -11.454 -1.470 -17.868 1.00 0.00 C ATOM 429 CD ARG A 26 -12.445 -2.235 -16.988 1.00 0.00 C ATOM 430 NE ARG A 26 -13.002 -1.355 -15.956 1.00 0.00 N ATOM 431 CZ ARG A 26 -13.803 -1.723 -14.950 1.00 0.00 C ATOM 432 NH1 ARG A 26 -14.069 -3.012 -14.711 1.00 0.00 N ATOM 433 NH2 ARG A 26 -14.330 -0.758 -14.194 1.00 0.00 N ATOM 0 H ARG A 26 -10.358 -0.599 -20.366 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.865 1.556 -19.593 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.979 0.038 -18.068 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.610 -0.806 -19.560 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.963 -2.161 -18.553 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.675 -1.030 -17.246 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.250 -2.639 -17.603 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.945 -3.083 -16.520 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.755 -0.367 -16.010 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.658 -3.735 -15.301 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.683 -3.271 -13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.117 0.219 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.946 -0.998 -13.417 1.00 0.00 H new ATOM 447 N LEU A 27 -9.349 1.145 -17.599 1.00 0.00 N ATOM 448 CA LEU A 27 -8.564 1.738 -16.529 1.00 0.00 C ATOM 449 C LEU A 27 -8.784 3.245 -16.454 1.00 0.00 C ATOM 450 O LEU A 27 -9.119 3.755 -15.388 1.00 0.00 O ATOM 451 CB LEU A 27 -7.082 1.415 -16.763 1.00 0.00 C ATOM 452 CG LEU A 27 -6.639 0.052 -16.212 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.668 -1.073 -16.371 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.310 -0.344 -16.862 1.00 0.00 C ATOM 0 H LEU A 27 -8.826 0.454 -18.137 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.884 1.318 -15.575 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.880 1.444 -17.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.475 2.195 -16.303 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.527 0.179 -15.135 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.266 -1.996 -15.953 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.584 -0.805 -15.845 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.887 -1.219 -17.429 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.990 -1.311 -16.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.439 -0.410 -17.942 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.554 0.407 -16.632 1.00 0.00 H new ATOM 466 N ARG A 28 -8.606 3.967 -17.562 1.00 0.00 N ATOM 467 CA ARG A 28 -8.678 5.425 -17.531 1.00 0.00 C ATOM 468 C ARG A 28 -10.093 5.893 -17.190 1.00 0.00 C ATOM 469 O ARG A 28 -10.287 6.709 -16.286 1.00 0.00 O ATOM 470 CB ARG A 28 -8.191 6.014 -18.858 1.00 0.00 C ATOM 471 CG ARG A 28 -6.676 5.815 -18.998 1.00 0.00 C ATOM 472 CD ARG A 28 -6.156 6.397 -20.318 1.00 0.00 C ATOM 473 NE ARG A 28 -6.473 7.826 -20.463 1.00 0.00 N ATOM 474 CZ ARG A 28 -5.861 8.833 -19.825 1.00 0.00 C ATOM 475 NH1 ARG A 28 -4.851 8.590 -18.981 1.00 0.00 N ATOM 476 NH2 ARG A 28 -6.267 10.089 -20.035 1.00 0.00 N ATOM 0 H ARG A 28 -8.413 3.569 -18.481 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.017 5.789 -16.744 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.707 5.534 -19.689 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.432 7.076 -18.904 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.166 6.293 -18.162 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.441 4.752 -18.949 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.076 6.260 -20.372 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.590 5.845 -21.152 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.225 8.072 -21.106 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.541 7.632 -18.819 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.391 9.363 -18.500 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.037 10.275 -20.677 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.806 10.861 -19.553 1.00 0.00 H new ATOM 490 N ASP A 29 -11.084 5.368 -17.913 1.00 0.00 N ATOM 491 CA ASP A 29 -12.492 5.688 -17.712 1.00 0.00 C ATOM 492 C ASP A 29 -12.872 5.449 -16.250 1.00 0.00 C ATOM 493 O ASP A 29 -13.400 6.331 -15.570 1.00 0.00 O ATOM 494 CB ASP A 29 -13.365 4.822 -18.634 1.00 0.00 C ATOM 495 CG ASP A 29 -12.948 4.919 -20.097 1.00 0.00 C ATOM 496 OD1 ASP A 29 -11.905 4.310 -20.422 1.00 0.00 O ATOM 497 OD2 ASP A 29 -13.673 5.594 -20.858 1.00 0.00 O ATOM 0 H ASP A 29 -10.925 4.698 -18.666 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.659 6.737 -17.956 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.307 3.782 -18.312 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.406 5.129 -18.536 1.00 0.00 H new ATOM 502 N THR A 30 -12.581 4.237 -15.778 1.00 0.00 N ATOM 503 CA THR A 30 -12.884 3.783 -14.435 1.00 0.00 C ATOM 504 C THR A 30 -12.188 4.682 -13.416 1.00 0.00 C ATOM 505 O THR A 30 -12.841 5.179 -12.505 1.00 0.00 O ATOM 506 CB THR A 30 -12.492 2.304 -14.282 1.00 0.00 C ATOM 507 OG1 THR A 30 -13.160 1.536 -15.262 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.875 1.766 -12.901 1.00 0.00 C ATOM 0 H THR A 30 -12.114 3.528 -16.343 1.00 0.00 H new ATOM 0 HA THR A 30 -13.956 3.853 -14.249 1.00 0.00 H new ATOM 0 HB THR A 30 -11.411 2.230 -14.403 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.685 1.611 -16.116 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.584 0.718 -12.825 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.361 2.342 -12.131 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.952 1.855 -12.762 1.00 0.00 H new ATOM 516 N LEU A 31 -10.880 4.906 -13.571 1.00 0.00 N ATOM 517 CA LEU A 31 -10.094 5.759 -12.691 1.00 0.00 C ATOM 518 C LEU A 31 -10.754 7.130 -12.576 1.00 0.00 C ATOM 519 O LEU A 31 -11.050 7.585 -11.474 1.00 0.00 O ATOM 520 CB LEU A 31 -8.658 5.862 -13.233 1.00 0.00 C ATOM 521 CG LEU A 31 -7.738 6.804 -12.439 1.00 0.00 C ATOM 522 CD1 LEU A 31 -7.494 6.279 -11.022 1.00 0.00 C ATOM 523 CD2 LEU A 31 -6.396 6.926 -13.170 1.00 0.00 C ATOM 0 H LEU A 31 -10.334 4.490 -14.325 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.050 5.328 -11.691 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.215 4.866 -13.242 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.698 6.202 -14.268 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.223 7.777 -12.364 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.840 6.967 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.445 6.198 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.023 5.297 -11.074 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.738 7.593 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.934 5.942 -13.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.561 7.330 -14.169 1.00 0.00 H new ATOM 535 N THR A 32 -10.995 7.780 -13.718 1.00 0.00 N ATOM 536 CA THR A 32 -11.583 9.111 -13.757 1.00 0.00 C ATOM 537 C THR A 32 -12.938 9.114 -13.042 1.00 0.00 C ATOM 538 O THR A 32 -13.185 9.936 -12.157 1.00 0.00 O ATOM 539 CB THR A 32 -11.702 9.583 -15.216 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.455 9.443 -15.868 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.114 11.056 -15.290 1.00 0.00 C ATOM 0 H THR A 32 -10.786 7.394 -14.639 1.00 0.00 H new ATOM 0 HA THR A 32 -10.937 9.813 -13.230 1.00 0.00 H new ATOM 0 HB THR A 32 -12.463 8.970 -15.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.349 8.519 -16.177 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.190 11.361 -16.334 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.080 11.189 -14.802 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.366 11.669 -14.787 1.00 0.00 H new ATOM 549 N SER A 33 -13.818 8.183 -13.423 1.00 0.00 N ATOM 550 CA SER A 33 -15.154 8.087 -12.856 1.00 0.00 C ATOM 551 C SER A 33 -15.085 7.906 -11.340 1.00 0.00 C ATOM 552 O SER A 33 -15.716 8.653 -10.592 1.00 0.00 O ATOM 553 CB SER A 33 -15.920 6.934 -13.514 1.00 0.00 C ATOM 554 OG SER A 33 -15.963 7.118 -14.913 1.00 0.00 O ATOM 0 H SER A 33 -13.618 7.478 -14.133 1.00 0.00 H new ATOM 0 HA SER A 33 -15.689 9.015 -13.055 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.438 5.985 -13.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.933 6.885 -13.114 1.00 0.00 H new ATOM 0 HG SER A 33 -15.102 6.859 -15.304 1.00 0.00 H new ATOM 560 N GLU A 34 -14.317 6.912 -10.889 1.00 0.00 N ATOM 561 CA GLU A 34 -14.223 6.579 -9.482 1.00 0.00 C ATOM 562 C GLU A 34 -13.629 7.752 -8.705 1.00 0.00 C ATOM 563 O GLU A 34 -14.168 8.135 -7.675 1.00 0.00 O ATOM 564 CB GLU A 34 -13.406 5.296 -9.273 1.00 0.00 C ATOM 565 CG GLU A 34 -13.848 4.606 -7.976 1.00 0.00 C ATOM 566 CD GLU A 34 -15.034 3.674 -8.220 1.00 0.00 C ATOM 567 OE1 GLU A 34 -16.177 4.177 -8.175 1.00 0.00 O ATOM 568 OE2 GLU A 34 -14.770 2.482 -8.492 1.00 0.00 O ATOM 0 H GLU A 34 -13.747 6.321 -11.494 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.226 6.389 -9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.545 4.623 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.343 5.534 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.015 4.038 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.120 5.358 -7.236 1.00 0.00 H new ATOM 575 N LYS A 35 -12.536 8.338 -9.202 1.00 0.00 N ATOM 576 CA LYS A 35 -11.938 9.521 -8.598 1.00 0.00 C ATOM 577 C LYS A 35 -12.998 10.608 -8.430 1.00 0.00 C ATOM 578 O LYS A 35 -13.159 11.149 -7.337 1.00 0.00 O ATOM 579 CB LYS A 35 -10.759 10.000 -9.456 1.00 0.00 C ATOM 580 CG LYS A 35 -10.098 11.259 -8.878 1.00 0.00 C ATOM 581 CD LYS A 35 -8.898 11.648 -9.747 1.00 0.00 C ATOM 582 CE LYS A 35 -8.289 12.990 -9.324 1.00 0.00 C ATOM 583 NZ LYS A 35 -7.766 12.954 -7.947 1.00 0.00 N ATOM 0 H LYS A 35 -12.046 8.003 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.552 9.278 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.018 9.204 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.108 10.206 -10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.817 12.078 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.775 11.076 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.138 10.870 -9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.210 11.705 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.484 13.254 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.045 13.771 -9.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.396 13.496 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.718 11.968 -7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.814 13.373 -7.926 1.00 0.00 H new ATOM 597 N SER A 36 -13.725 10.918 -9.507 1.00 0.00 N ATOM 598 CA SER A 36 -14.775 11.924 -9.468 1.00 0.00 C ATOM 599 C SER A 36 -15.797 11.598 -8.374 1.00 0.00 C ATOM 600 O SER A 36 -16.062 12.437 -7.515 1.00 0.00 O ATOM 601 CB SER A 36 -15.438 12.063 -10.842 1.00 0.00 C ATOM 602 OG SER A 36 -14.465 12.365 -11.822 1.00 0.00 O ATOM 0 H SER A 36 -13.600 10.480 -10.420 1.00 0.00 H new ATOM 0 HA SER A 36 -14.328 12.887 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.952 11.138 -11.102 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.192 12.849 -10.813 1.00 0.00 H new ATOM 0 HG SER A 36 -13.962 11.554 -12.044 1.00 0.00 H new ATOM 608 N LYS A 37 -16.360 10.384 -8.394 1.00 0.00 N ATOM 609 CA LYS A 37 -17.302 9.928 -7.378 1.00 0.00 C ATOM 610 C LYS A 37 -16.725 10.118 -5.973 1.00 0.00 C ATOM 611 O LYS A 37 -17.340 10.789 -5.149 1.00 0.00 O ATOM 612 CB LYS A 37 -17.684 8.459 -7.615 1.00 0.00 C ATOM 613 CG LYS A 37 -18.538 8.237 -8.873 1.00 0.00 C ATOM 614 CD LYS A 37 -20.000 8.660 -8.656 1.00 0.00 C ATOM 615 CE LYS A 37 -20.857 8.406 -9.902 1.00 0.00 C ATOM 616 NZ LYS A 37 -20.941 6.973 -10.238 1.00 0.00 N ATOM 0 H LYS A 37 -16.171 9.692 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.205 10.534 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.774 7.865 -7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.230 8.090 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.116 8.803 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.503 7.185 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.416 8.111 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.038 9.718 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -21.861 8.798 -9.737 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.437 8.951 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -21.671 6.829 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.023 6.647 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -21.189 6.431 -9.386 1.00 0.00 H new ATOM 630 N ILE A 38 -15.547 9.549 -5.703 1.00 0.00 N ATOM 631 CA ILE A 38 -14.891 9.622 -4.404 1.00 0.00 C ATOM 632 C ILE A 38 -14.771 11.081 -3.959 1.00 0.00 C ATOM 633 O ILE A 38 -15.250 11.432 -2.882 1.00 0.00 O ATOM 634 CB ILE A 38 -13.531 8.890 -4.446 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.759 7.368 -4.550 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.698 9.202 -3.193 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.488 6.597 -4.929 1.00 0.00 C ATOM 0 H ILE A 38 -15.018 9.018 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.497 9.110 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.983 9.240 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.132 6.996 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.532 7.172 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.746 8.674 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.515 10.275 -3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.241 8.878 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.712 5.532 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.127 6.945 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.721 6.766 -4.173 1.00 0.00 H new ATOM 649 N GLU A 39 -14.147 11.933 -4.779 1.00 0.00 N ATOM 650 CA GLU A 39 -13.989 13.346 -4.457 1.00 0.00 C ATOM 651 C GLU A 39 -15.346 13.996 -4.161 1.00 0.00 C ATOM 652 O GLU A 39 -15.504 14.680 -3.150 1.00 0.00 O ATOM 653 CB GLU A 39 -13.262 14.056 -5.606 1.00 0.00 C ATOM 654 CG GLU A 39 -11.787 13.629 -5.666 1.00 0.00 C ATOM 655 CD GLU A 39 -11.036 14.283 -6.823 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.645 14.411 -7.908 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.854 14.631 -6.606 1.00 0.00 O ATOM 0 H GLU A 39 -13.742 11.661 -5.675 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.386 13.442 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.752 13.822 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.327 15.136 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.298 13.889 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.730 12.545 -5.766 1.00 0.00 H new ATOM 664 N THR A 40 -16.327 13.768 -5.035 1.00 0.00 N ATOM 665 CA THR A 40 -17.670 14.309 -4.889 1.00 0.00 C ATOM 666 C THR A 40 -18.275 13.898 -3.543 1.00 0.00 C ATOM 667 O THR A 40 -18.706 14.752 -2.774 1.00 0.00 O ATOM 668 CB THR A 40 -18.530 13.873 -6.086 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.949 14.368 -7.274 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.959 14.409 -6.017 1.00 0.00 C ATOM 0 H THR A 40 -16.206 13.196 -5.871 1.00 0.00 H new ATOM 0 HA THR A 40 -17.633 15.398 -4.888 1.00 0.00 H new ATOM 0 HB THR A 40 -18.569 12.784 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.320 13.707 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.518 14.068 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.442 14.043 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.939 15.499 -6.002 1.00 0.00 H new ATOM 678 N GLU A 41 -18.308 12.596 -3.248 1.00 0.00 N ATOM 679 CA GLU A 41 -18.860 12.061 -2.012 1.00 0.00 C ATOM 680 C GLU A 41 -18.124 12.633 -0.799 1.00 0.00 C ATOM 681 O GLU A 41 -18.754 13.078 0.157 1.00 0.00 O ATOM 682 CB GLU A 41 -18.771 10.530 -2.035 1.00 0.00 C ATOM 683 CG GLU A 41 -19.726 9.916 -3.068 1.00 0.00 C ATOM 684 CD GLU A 41 -19.501 8.413 -3.207 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.459 8.046 -3.793 1.00 0.00 O ATOM 686 OE2 GLU A 41 -20.371 7.660 -2.717 1.00 0.00 O ATOM 0 H GLU A 41 -17.945 11.877 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.907 12.354 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.748 10.229 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -19.006 10.138 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.757 10.105 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.579 10.399 -4.034 1.00 0.00 H new ATOM 693 N LEU A 42 -16.791 12.622 -0.835 1.00 0.00 N ATOM 694 CA LEU A 42 -15.965 13.162 0.234 1.00 0.00 C ATOM 695 C LEU A 42 -16.361 14.618 0.508 1.00 0.00 C ATOM 696 O LEU A 42 -16.746 14.963 1.625 1.00 0.00 O ATOM 697 CB LEU A 42 -14.485 13.004 -0.153 1.00 0.00 C ATOM 698 CG LEU A 42 -13.497 13.458 0.933 1.00 0.00 C ATOM 699 CD1 LEU A 42 -13.474 12.468 2.103 1.00 0.00 C ATOM 700 CD2 LEU A 42 -12.092 13.547 0.327 1.00 0.00 C ATOM 0 H LEU A 42 -16.256 12.235 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 42 -16.122 12.615 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.293 11.957 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.296 13.575 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.815 14.431 1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.767 12.813 2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.469 12.401 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.169 11.486 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.385 13.869 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.796 12.569 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.094 14.267 -0.491 1.00 0.00 H new ATOM 712 N LYS A 43 -16.301 15.471 -0.519 1.00 0.00 N ATOM 713 CA LYS A 43 -16.633 16.882 -0.388 1.00 0.00 C ATOM 714 C LYS A 43 -18.083 17.063 0.076 1.00 0.00 C ATOM 715 O LYS A 43 -18.369 17.917 0.920 1.00 0.00 O ATOM 716 CB LYS A 43 -16.350 17.601 -1.717 1.00 0.00 C ATOM 717 CG LYS A 43 -16.406 19.135 -1.624 1.00 0.00 C ATOM 718 CD LYS A 43 -15.051 19.799 -1.325 1.00 0.00 C ATOM 719 CE LYS A 43 -14.433 19.376 0.014 1.00 0.00 C ATOM 720 NZ LYS A 43 -13.260 20.203 0.349 1.00 0.00 N ATOM 0 H LYS A 43 -16.021 15.198 -1.461 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.005 17.334 0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.364 17.305 -2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.073 17.266 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.792 19.531 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.115 19.415 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.354 19.558 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.179 20.881 -1.329 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.179 19.462 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.139 18.327 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.865 19.892 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.540 20.101 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.547 21.200 0.418 1.00 0.00 H new ATOM 734 N ASN A 44 -19.004 16.261 -0.466 1.00 0.00 N ATOM 735 CA ASN A 44 -20.402 16.256 -0.060 1.00 0.00 C ATOM 736 C ASN A 44 -20.481 16.079 1.450 1.00 0.00 C ATOM 737 O ASN A 44 -20.973 16.955 2.151 1.00 0.00 O ATOM 738 CB ASN A 44 -21.187 15.154 -0.779 1.00 0.00 C ATOM 739 CG ASN A 44 -22.687 15.258 -0.526 1.00 0.00 C ATOM 740 OD1 ASN A 44 -23.150 15.155 0.607 1.00 0.00 O ATOM 741 ND2 ASN A 44 -23.467 15.448 -1.583 1.00 0.00 N ATOM 0 H ASN A 44 -18.792 15.592 -1.206 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.855 17.207 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.996 15.214 -1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -20.831 14.179 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.478 15.512 -1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -23.055 15.530 -2.513 1.00 0.00 H new ATOM 748 N LYS A 45 -19.963 14.963 1.957 1.00 0.00 N ATOM 749 CA LYS A 45 -20.095 14.625 3.362 1.00 0.00 C ATOM 750 C LYS A 45 -19.262 15.549 4.258 1.00 0.00 C ATOM 751 O LYS A 45 -19.616 15.722 5.424 1.00 0.00 O ATOM 752 CB LYS A 45 -19.804 13.135 3.569 1.00 0.00 C ATOM 753 CG LYS A 45 -20.720 12.222 2.732 1.00 0.00 C ATOM 754 CD LYS A 45 -22.209 12.344 3.097 1.00 0.00 C ATOM 755 CE LYS A 45 -23.083 11.481 2.181 1.00 0.00 C ATOM 756 NZ LYS A 45 -23.106 12.004 0.802 1.00 0.00 N ATOM 0 H LYS A 45 -19.446 14.277 1.407 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.126 14.796 3.673 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.765 12.934 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.922 12.890 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.592 12.462 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.406 11.187 2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.357 12.041 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.519 13.386 3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.707 10.458 2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.099 11.445 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.928 11.615 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.173 13.042 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.233 11.724 0.310 1.00 0.00 H new ATOM 770 N MET A 46 -18.196 16.169 3.738 1.00 0.00 N ATOM 771 CA MET A 46 -17.495 17.221 4.463 1.00 0.00 C ATOM 772 C MET A 46 -18.408 18.430 4.707 1.00 0.00 C ATOM 773 O MET A 46 -18.771 18.701 5.848 1.00 0.00 O ATOM 774 CB MET A 46 -16.225 17.659 3.715 1.00 0.00 C ATOM 775 CG MET A 46 -15.050 16.706 3.941 1.00 0.00 C ATOM 776 SD MET A 46 -13.537 17.189 3.070 1.00 0.00 S ATOM 777 CE MET A 46 -12.383 15.988 3.767 1.00 0.00 C ATOM 0 H MET A 46 -17.805 15.957 2.820 1.00 0.00 H new ATOM 0 HA MET A 46 -17.202 16.810 5.429 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.439 17.719 2.648 1.00 0.00 H new ATOM 0 HB3 MET A 46 -15.943 18.660 4.041 1.00 0.00 H new ATOM 0 HG2 MET A 46 -14.841 16.650 5.009 1.00 0.00 H new ATOM 0 HG3 MET A 46 -15.339 15.705 3.620 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.444 16.023 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.197 16.227 4.814 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.810 14.988 3.694 1.00 0.00 H new ATOM 787 N GLN A 47 -18.746 19.186 3.651 1.00 0.00 N ATOM 788 CA GLN A 47 -19.419 20.477 3.829 1.00 0.00 C ATOM 789 C GLN A 47 -20.949 20.387 3.869 1.00 0.00 C ATOM 790 O GLN A 47 -21.587 21.237 4.485 1.00 0.00 O ATOM 791 CB GLN A 47 -18.870 21.557 2.879 1.00 0.00 C ATOM 792 CG GLN A 47 -18.844 21.223 1.384 1.00 0.00 C ATOM 793 CD GLN A 47 -20.232 20.945 0.825 1.00 0.00 C ATOM 794 OE1 GLN A 47 -21.081 21.831 0.785 1.00 0.00 O ATOM 795 NE2 GLN A 47 -20.492 19.711 0.410 1.00 0.00 N ATOM 0 H GLN A 47 -18.567 18.929 2.680 1.00 0.00 H new ATOM 0 HA GLN A 47 -19.162 20.812 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.465 22.460 3.014 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -17.853 21.796 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.395 22.052 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.209 20.352 1.220 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -19.767 18.995 0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -21.416 19.479 0.046 1.00 0.00 H new ATOM 804 N GLN A 48 -21.547 19.383 3.221 1.00 0.00 N ATOM 805 CA GLN A 48 -22.957 19.002 3.302 1.00 0.00 C ATOM 806 C GLN A 48 -23.966 19.995 2.710 1.00 0.00 C ATOM 807 O GLN A 48 -24.975 19.557 2.164 1.00 0.00 O ATOM 808 CB GLN A 48 -23.320 18.538 4.718 1.00 0.00 C ATOM 809 CG GLN A 48 -22.436 17.343 5.110 1.00 0.00 C ATOM 810 CD GLN A 48 -22.787 16.767 6.479 1.00 0.00 C ATOM 811 OE1 GLN A 48 -23.877 16.981 6.998 1.00 0.00 O ATOM 812 NE2 GLN A 48 -21.866 16.017 7.075 1.00 0.00 N ATOM 0 H GLN A 48 -21.025 18.778 2.587 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.055 18.153 2.625 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.181 19.355 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.372 18.255 4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.535 16.562 4.357 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -21.392 17.655 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -20.967 15.855 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -22.058 15.603 7.987 1.00 0.00 H new ATOM 821 N LYS A 49 -23.731 21.305 2.787 1.00 0.00 N ATOM 822 CA LYS A 49 -24.651 22.308 2.269 1.00 0.00 C ATOM 823 C LYS A 49 -24.867 22.151 0.758 1.00 0.00 C ATOM 824 O LYS A 49 -26.000 22.193 0.276 1.00 0.00 O ATOM 825 CB LYS A 49 -24.119 23.709 2.599 1.00 0.00 C ATOM 826 CG LYS A 49 -24.041 23.940 4.116 1.00 0.00 C ATOM 827 CD LYS A 49 -23.724 25.401 4.464 1.00 0.00 C ATOM 828 CE LYS A 49 -22.326 25.818 3.994 1.00 0.00 C ATOM 829 NZ LYS A 49 -21.993 27.180 4.447 1.00 0.00 N ATOM 0 H LYS A 49 -22.892 21.698 3.213 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.620 22.167 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -23.130 23.836 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -24.767 24.461 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -24.988 23.656 4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -23.275 23.292 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -24.469 26.052 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -23.800 25.540 5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.587 25.114 4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -22.277 25.772 2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.041 27.434 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -22.686 27.853 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.017 27.216 5.486 1.00 0.00 H new ATOM 843 N SER A 50 -23.781 21.983 0.001 1.00 0.00 N ATOM 844 CA SER A 50 -23.800 22.034 -1.456 1.00 0.00 C ATOM 845 C SER A 50 -24.328 20.737 -2.081 1.00 0.00 C ATOM 846 O SER A 50 -23.652 20.132 -2.910 1.00 0.00 O ATOM 847 CB SER A 50 -22.400 22.378 -1.978 1.00 0.00 C ATOM 848 OG SER A 50 -21.870 23.485 -1.274 1.00 0.00 O ATOM 0 H SER A 50 -22.855 21.806 0.390 1.00 0.00 H new ATOM 0 HA SER A 50 -24.495 22.818 -1.756 1.00 0.00 H new ATOM 0 HB2 SER A 50 -21.741 21.517 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 50 -22.448 22.605 -3.043 1.00 0.00 H new ATOM 0 HG SER A 50 -21.488 23.180 -0.425 1.00 0.00 H new ATOM 854 N GLN A 51 -25.546 20.324 -1.724 1.00 0.00 N ATOM 855 CA GLN A 51 -26.210 19.205 -2.382 1.00 0.00 C ATOM 856 C GLN A 51 -26.604 19.581 -3.812 1.00 0.00 C ATOM 857 O GLN A 51 -26.651 18.718 -4.687 1.00 0.00 O ATOM 858 CB GLN A 51 -27.440 18.751 -1.582 1.00 0.00 C ATOM 859 CG GLN A 51 -27.091 18.289 -0.162 1.00 0.00 C ATOM 860 CD GLN A 51 -26.087 17.135 -0.137 1.00 0.00 C ATOM 861 OE1 GLN A 51 -26.093 16.268 -1.007 1.00 0.00 O ATOM 862 NE2 GLN A 51 -25.202 17.118 0.851 1.00 0.00 N ATOM 0 H GLN A 51 -26.093 20.753 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 51 -25.509 18.371 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -28.154 19.572 -1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -27.932 17.936 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.682 19.131 0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -28.004 17.980 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -25.217 17.849 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -24.506 16.374 0.900 1.00 0.00 H new ATOM 871 N LYS A 52 -26.878 20.869 -4.051 1.00 0.00 N ATOM 872 CA LYS A 52 -27.241 21.427 -5.346 1.00 0.00 C ATOM 873 C LYS A 52 -26.011 21.453 -6.266 1.00 0.00 C ATOM 874 O LYS A 52 -25.525 22.514 -6.653 1.00 0.00 O ATOM 875 CB LYS A 52 -27.833 22.835 -5.157 1.00 0.00 C ATOM 876 CG LYS A 52 -29.196 22.879 -4.440 1.00 0.00 C ATOM 877 CD LYS A 52 -29.201 22.581 -2.930 1.00 0.00 C ATOM 878 CE LYS A 52 -28.257 23.467 -2.102 1.00 0.00 C ATOM 879 NZ LYS A 52 -28.554 24.899 -2.273 1.00 0.00 N ATOM 0 H LYS A 52 -26.850 21.574 -3.314 1.00 0.00 H new ATOM 0 HA LYS A 52 -27.999 20.802 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -27.123 23.438 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -27.939 23.302 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -29.627 23.869 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -29.859 22.165 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -30.216 22.702 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -28.926 21.537 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -28.343 23.202 -1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -27.226 23.273 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -27.917 25.460 -1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -28.415 25.166 -3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -29.540 25.084 -2.000 1.00 0.00 H new ATOM 893 N LYS A 53 -25.492 20.272 -6.600 1.00 0.00 N ATOM 894 CA LYS A 53 -24.338 20.109 -7.464 1.00 0.00 C ATOM 895 C LYS A 53 -24.759 20.398 -8.911 1.00 0.00 C ATOM 896 O LYS A 53 -25.834 19.962 -9.326 1.00 0.00 O ATOM 897 CB LYS A 53 -23.806 18.677 -7.311 1.00 0.00 C ATOM 898 CG LYS A 53 -23.266 18.443 -5.891 1.00 0.00 C ATOM 899 CD LYS A 53 -22.843 16.987 -5.647 1.00 0.00 C ATOM 900 CE LYS A 53 -24.017 15.995 -5.619 1.00 0.00 C ATOM 901 NZ LYS A 53 -25.027 16.341 -4.601 1.00 0.00 N ATOM 0 H LYS A 53 -25.875 19.387 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 53 -23.543 20.803 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -24.602 17.964 -7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -23.015 18.498 -8.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -22.412 19.098 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -24.031 18.721 -5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -22.144 16.686 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.307 16.928 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -24.490 15.969 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -23.637 14.993 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -25.705 15.559 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -24.557 16.506 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -25.532 17.203 -4.891 1.00 0.00 H new ATOM 915 N PRO A 54 -23.938 21.115 -9.697 1.00 0.00 N ATOM 916 CA PRO A 54 -24.257 21.472 -11.072 1.00 0.00 C ATOM 917 C PRO A 54 -24.087 20.256 -11.992 1.00 0.00 C ATOM 918 O PRO A 54 -23.201 20.221 -12.844 1.00 0.00 O ATOM 919 CB PRO A 54 -23.296 22.620 -11.407 1.00 0.00 C ATOM 920 CG PRO A 54 -22.062 22.285 -10.570 1.00 0.00 C ATOM 921 CD PRO A 54 -22.668 21.699 -9.295 1.00 0.00 C ATOM 0 HA PRO A 54 -25.292 21.785 -11.209 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -23.065 22.656 -12.472 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -23.715 23.590 -11.139 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -21.412 21.570 -11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -21.461 23.170 -10.363 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -22.011 20.946 -8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -22.813 22.471 -8.540 1.00 0.00 H new ATOM 929 N GLU A 55 -24.943 19.245 -11.824 1.00 0.00 N ATOM 930 CA GLU A 55 -24.928 18.025 -12.618 1.00 0.00 C ATOM 931 C GLU A 55 -24.908 18.338 -14.118 1.00 0.00 C ATOM 932 O GLU A 55 -25.157 17.461 -14.943 1.00 0.00 O ATOM 933 CB GLU A 55 -26.089 17.104 -12.195 1.00 0.00 C ATOM 934 CG GLU A 55 -27.470 17.777 -12.082 1.00 0.00 C ATOM 935 CD GLU A 55 -27.953 18.386 -13.395 1.00 0.00 C ATOM 936 OE1 GLU A 55 -27.623 19.569 -13.626 1.00 0.00 O ATOM 937 OE2 GLU A 55 -28.638 17.655 -14.144 1.00 0.00 O ATOM 0 H GLU A 55 -25.678 19.257 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 55 -24.005 17.478 -12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -26.161 16.288 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -25.842 16.659 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.198 17.041 -11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -27.425 18.557 -11.322 1.00 0.00 H new TER 944 GLU A 55