USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 148:sc= -8.55! USER MOD Set 1.2: A 77 TYR OH : rot 21:sc= -5.46! USER MOD Single : A 1 ALA N :NH3+ -143:sc= 0.0371 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 97:sc= -4.16! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 22 SER OG : rot 177:sc= -0.314! USER MOD Single : A 23 LYS NZ :NH3+ -137:sc= -0.291 (180deg=-1.34!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-13!) USER MOD Single : A 35 HIS : no HE2:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.059) USER MOD Single : A 64 THR OG1 : rot 29:sc= -0.628! USER MOD Single : A 65 TYR OH : rot 87:sc= 0.155 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.9! C(o=-3.9!,f=-4.4!) USER MOD Single : A 82 THR OG1 : rot 18:sc= -7.7! USER MOD Single : A 87 ASN : amide:sc= -2.47! C(o=-2.5!,f=-6!) USER MOD Single : A 89 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 144:sc= -0.53 (180deg=-2.78!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.491 -11.524 -0.226 1.00 0.00 N ATOM 2 CA ALA A 1 -17.532 -10.767 -1.080 1.00 0.00 C ATOM 3 C ALA A 1 -16.113 -10.946 -0.544 1.00 0.00 C ATOM 4 O ALA A 1 -15.775 -11.959 0.033 1.00 0.00 O ATOM 5 CB ALA A 1 -17.913 -9.280 -1.090 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.237 -11.936 -0.822 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.986 -12.285 0.272 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.920 -10.880 0.469 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.574 -11.149 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.210 -8.729 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.921 -9.165 -1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.879 -8.889 -0.073 1.00 0.00 H new ATOM 13 N ASP A 2 -15.278 -9.967 -0.745 1.00 0.00 N ATOM 14 CA ASP A 2 -13.870 -10.062 -0.268 1.00 0.00 C ATOM 15 C ASP A 2 -13.575 -9.032 0.853 1.00 0.00 C ATOM 16 O ASP A 2 -12.510 -8.458 0.885 1.00 0.00 O ATOM 17 CB ASP A 2 -12.954 -9.806 -1.469 1.00 0.00 C ATOM 18 CG ASP A 2 -11.518 -9.715 -0.997 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.248 -10.227 0.071 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.712 -9.141 -1.711 1.00 0.00 O ATOM 0 H ASP A 2 -15.512 -9.097 -1.223 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.696 -11.052 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.058 -10.610 -2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.243 -8.882 -1.970 1.00 0.00 H new ATOM 25 N PRO A 3 -14.491 -8.839 1.776 1.00 0.00 N ATOM 26 CA PRO A 3 -14.258 -7.915 2.897 1.00 0.00 C ATOM 27 C PRO A 3 -13.366 -8.610 3.929 1.00 0.00 C ATOM 28 O PRO A 3 -13.052 -8.065 4.969 1.00 0.00 O ATOM 29 CB PRO A 3 -15.655 -7.674 3.472 1.00 0.00 C ATOM 30 CG PRO A 3 -16.508 -8.889 3.043 1.00 0.00 C ATOM 31 CD PRO A 3 -15.818 -9.488 1.803 1.00 0.00 C ATOM 0 HA PRO A 3 -13.767 -6.986 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.620 -7.586 4.558 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.079 -6.745 3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.569 -9.623 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.529 -8.585 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -15.730 -10.572 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.382 -9.279 0.894 1.00 0.00 H new ATOM 39 N GLU A 4 -12.985 -9.831 3.652 1.00 0.00 N ATOM 40 CA GLU A 4 -12.146 -10.599 4.608 1.00 0.00 C ATOM 41 C GLU A 4 -10.934 -11.207 3.899 1.00 0.00 C ATOM 42 O GLU A 4 -10.228 -12.021 4.458 1.00 0.00 O ATOM 43 CB GLU A 4 -12.988 -11.736 5.157 1.00 0.00 C ATOM 44 CG GLU A 4 -13.090 -11.618 6.678 1.00 0.00 C ATOM 45 CD GLU A 4 -14.241 -12.493 7.180 1.00 0.00 C ATOM 46 OE1 GLU A 4 -15.292 -12.466 6.563 1.00 0.00 O ATOM 47 OE2 GLU A 4 -14.050 -13.177 8.171 1.00 0.00 O ATOM 0 H GLU A 4 -13.224 -10.329 2.795 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.799 -9.932 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.983 -11.710 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.543 -12.694 4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.154 -11.929 7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.257 -10.579 6.963 1.00 0.00 H new ATOM 54 N LYS A 5 -10.688 -10.837 2.679 1.00 0.00 N ATOM 55 CA LYS A 5 -9.527 -11.416 1.959 1.00 0.00 C ATOM 56 C LYS A 5 -8.970 -10.352 1.033 1.00 0.00 C ATOM 57 O LYS A 5 -8.517 -10.626 -0.061 1.00 0.00 O ATOM 58 CB LYS A 5 -9.980 -12.630 1.146 1.00 0.00 C ATOM 59 CG LYS A 5 -9.426 -13.906 1.784 1.00 0.00 C ATOM 60 CD LYS A 5 -10.341 -15.086 1.445 1.00 0.00 C ATOM 61 CE LYS A 5 -11.223 -15.411 2.652 1.00 0.00 C ATOM 62 NZ LYS A 5 -11.105 -16.861 2.978 1.00 0.00 N ATOM 0 H LYS A 5 -11.238 -10.161 2.150 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.762 -11.737 2.666 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.069 -12.672 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.630 -12.543 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.417 -14.099 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.357 -13.784 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.962 -14.843 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.744 -15.956 1.173 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.921 -14.809 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.261 -15.159 2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.704 -17.082 3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.413 -17.427 2.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.115 -17.087 3.202 1.00 0.00 H new ATOM 76 N SER A 6 -9.016 -9.129 1.467 1.00 0.00 N ATOM 77 CA SER A 6 -8.507 -8.023 0.620 1.00 0.00 C ATOM 78 C SER A 6 -7.288 -7.416 1.298 1.00 0.00 C ATOM 79 O SER A 6 -7.377 -6.843 2.363 1.00 0.00 O ATOM 80 CB SER A 6 -9.565 -6.934 0.493 1.00 0.00 C ATOM 81 OG SER A 6 -10.721 -7.457 -0.134 1.00 0.00 O ATOM 0 H SER A 6 -9.385 -8.847 2.375 1.00 0.00 H new ATOM 0 HA SER A 6 -8.257 -8.412 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.820 -6.545 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.172 -6.099 -0.087 1.00 0.00 H new ATOM 0 HG SER A 6 -11.377 -7.710 0.549 1.00 0.00 H new ATOM 87 N TYR A 7 -6.150 -7.550 0.698 1.00 0.00 N ATOM 88 CA TYR A 7 -4.918 -6.987 1.321 1.00 0.00 C ATOM 89 C TYR A 7 -4.052 -6.295 0.267 1.00 0.00 C ATOM 90 O TYR A 7 -3.925 -6.753 -0.852 1.00 0.00 O ATOM 91 CB TYR A 7 -4.108 -8.110 1.982 1.00 0.00 C ATOM 92 CG TYR A 7 -4.412 -9.433 1.315 1.00 0.00 C ATOM 93 CD1 TYR A 7 -3.973 -9.678 0.009 1.00 0.00 C ATOM 94 CD2 TYR A 7 -5.132 -10.414 2.007 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.253 -10.905 -0.605 1.00 0.00 C ATOM 96 CE2 TYR A 7 -5.411 -11.641 1.393 1.00 0.00 C ATOM 97 CZ TYR A 7 -4.972 -11.886 0.087 1.00 0.00 C ATOM 98 OH TYR A 7 -5.249 -13.095 -0.517 1.00 0.00 O ATOM 0 H TYR A 7 -6.012 -8.023 -0.195 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.216 -6.256 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.042 -7.893 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.348 -8.166 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.418 -8.921 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.472 -10.224 3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.914 -11.094 -1.613 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.965 -12.399 1.927 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.755 -13.662 0.102 1.00 0.00 H new ATOM 108 N ALA A 8 -3.441 -5.199 0.631 1.00 0.00 N ATOM 109 CA ALA A 8 -2.560 -4.472 -0.325 1.00 0.00 C ATOM 110 C ALA A 8 -1.146 -4.453 0.244 1.00 0.00 C ATOM 111 O ALA A 8 -0.929 -4.037 1.365 1.00 0.00 O ATOM 112 CB ALA A 8 -3.049 -3.036 -0.507 1.00 0.00 C ATOM 0 H ALA A 8 -3.516 -4.775 1.556 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.577 -4.973 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.397 -2.516 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.067 -3.045 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.033 -2.522 0.454 1.00 0.00 H new ATOM 118 N GLU A 9 -0.182 -4.906 -0.503 1.00 0.00 N ATOM 119 CA GLU A 9 1.210 -4.909 0.034 1.00 0.00 C ATOM 120 C GLU A 9 2.194 -4.534 -1.068 1.00 0.00 C ATOM 121 O GLU A 9 2.048 -4.919 -2.215 1.00 0.00 O ATOM 122 CB GLU A 9 1.554 -6.303 0.570 1.00 0.00 C ATOM 123 CG GLU A 9 0.802 -7.368 -0.234 1.00 0.00 C ATOM 124 CD GLU A 9 1.740 -8.537 -0.542 1.00 0.00 C ATOM 125 OE1 GLU A 9 2.365 -9.030 0.383 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.817 -8.920 -1.698 1.00 0.00 O ATOM 0 H GLU A 9 -0.291 -5.270 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 9 1.279 -4.180 0.842 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.628 -6.474 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.286 -6.374 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.062 -7.721 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.424 -6.938 -1.161 1.00 0.00 H new ATOM 133 N GLY A 10 3.195 -3.771 -0.730 1.00 0.00 N ATOM 134 CA GLY A 10 4.191 -3.369 -1.750 1.00 0.00 C ATOM 135 C GLY A 10 5.459 -2.853 -1.073 1.00 0.00 C ATOM 136 O GLY A 10 5.491 -2.667 0.128 1.00 0.00 O ATOM 0 H GLY A 10 3.363 -3.410 0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.431 -4.219 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.772 -2.595 -2.393 1.00 0.00 H new ATOM 140 N PRO A 11 6.451 -2.575 -1.883 1.00 0.00 N ATOM 141 CA PRO A 11 7.722 -2.002 -1.415 1.00 0.00 C ATOM 142 C PRO A 11 7.530 -0.493 -1.192 1.00 0.00 C ATOM 143 O PRO A 11 8.468 0.241 -0.954 1.00 0.00 O ATOM 144 CB PRO A 11 8.686 -2.264 -2.574 1.00 0.00 C ATOM 145 CG PRO A 11 7.809 -2.446 -3.835 1.00 0.00 C ATOM 146 CD PRO A 11 6.400 -2.822 -3.340 1.00 0.00 C ATOM 0 HA PRO A 11 8.084 -2.426 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.379 -1.432 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.287 -3.154 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.781 -1.529 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.214 -3.226 -4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.633 -2.214 -3.821 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.165 -3.863 -3.560 1.00 0.00 H new ATOM 154 N GLY A 12 6.304 -0.037 -1.274 1.00 0.00 N ATOM 155 CA GLY A 12 5.999 1.402 -1.080 1.00 0.00 C ATOM 156 C GLY A 12 5.101 1.542 0.143 1.00 0.00 C ATOM 157 O GLY A 12 4.445 0.607 0.519 1.00 0.00 O ATOM 0 H GLY A 12 5.490 -0.619 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.919 1.970 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.504 1.807 -1.963 1.00 0.00 H new ATOM 161 N LEU A 13 5.074 2.693 0.764 1.00 0.00 N ATOM 162 CA LEU A 13 4.207 2.893 1.970 1.00 0.00 C ATOM 163 C LEU A 13 4.959 2.497 3.231 1.00 0.00 C ATOM 164 O LEU A 13 4.508 2.726 4.336 1.00 0.00 O ATOM 165 CB LEU A 13 2.895 2.104 1.809 1.00 0.00 C ATOM 166 CG LEU A 13 2.843 0.793 2.635 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.715 0.881 3.658 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.558 -0.389 1.703 1.00 0.00 C ATOM 0 H LEU A 13 5.618 3.510 0.487 1.00 0.00 H new ATOM 0 HA LEU A 13 3.950 3.948 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.061 2.741 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.755 1.863 0.755 1.00 0.00 H new ATOM 0 HG LEU A 13 3.799 0.652 3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.678 -0.041 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.894 1.724 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.766 1.023 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.522 -1.310 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.601 -0.237 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.349 -0.462 0.956 1.00 0.00 H new ATOM 180 N ASP A 14 6.116 1.937 3.077 1.00 0.00 N ATOM 181 CA ASP A 14 6.915 1.565 4.275 1.00 0.00 C ATOM 182 C ASP A 14 7.364 2.851 4.951 1.00 0.00 C ATOM 183 O ASP A 14 7.736 2.874 6.107 1.00 0.00 O ATOM 184 CB ASP A 14 8.151 0.797 3.846 1.00 0.00 C ATOM 185 CG ASP A 14 7.770 -0.257 2.805 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.339 -1.327 3.206 1.00 0.00 O ATOM 187 OD2 ASP A 14 7.915 0.021 1.626 1.00 0.00 O ATOM 0 H ASP A 14 6.547 1.719 2.178 1.00 0.00 H new ATOM 0 HA ASP A 14 6.317 0.949 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.890 1.482 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.611 0.318 4.710 1.00 0.00 H new ATOM 192 N GLY A 15 7.329 3.924 4.216 1.00 0.00 N ATOM 193 CA GLY A 15 7.751 5.237 4.781 1.00 0.00 C ATOM 194 C GLY A 15 9.270 5.352 4.788 1.00 0.00 C ATOM 195 O GLY A 15 9.937 5.119 3.800 1.00 0.00 O ATOM 0 H GLY A 15 7.025 3.950 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.322 6.048 4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.368 5.343 5.796 1.00 0.00 H new ATOM 199 N GLY A 16 9.811 5.711 5.916 1.00 0.00 N ATOM 200 CA GLY A 16 11.292 5.853 6.041 1.00 0.00 C ATOM 201 C GLY A 16 11.828 6.959 5.137 1.00 0.00 C ATOM 202 O GLY A 16 12.414 7.915 5.605 1.00 0.00 O ATOM 0 H GLY A 16 9.288 5.915 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.551 6.071 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.772 4.908 5.785 1.00 0.00 H new ATOM 206 N GLU A 17 11.675 6.834 3.849 1.00 0.00 N ATOM 207 CA GLU A 17 12.229 7.884 2.955 1.00 0.00 C ATOM 208 C GLU A 17 11.188 8.391 1.962 1.00 0.00 C ATOM 209 O GLU A 17 10.392 7.648 1.426 1.00 0.00 O ATOM 210 CB GLU A 17 13.389 7.306 2.168 1.00 0.00 C ATOM 211 CG GLU A 17 14.612 7.167 3.076 1.00 0.00 C ATOM 212 CD GLU A 17 14.688 5.737 3.614 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.824 4.829 2.811 1.00 0.00 O ATOM 214 OE2 GLU A 17 14.611 5.574 4.821 1.00 0.00 O ATOM 0 H GLU A 17 11.198 6.062 3.383 1.00 0.00 H new ATOM 0 HA GLU A 17 12.549 8.717 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.115 6.333 1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.624 7.952 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.519 7.407 2.521 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.547 7.875 3.902 1.00 0.00 H new ATOM 221 N CYS A 18 11.210 9.667 1.719 1.00 0.00 N ATOM 222 CA CYS A 18 10.240 10.281 0.752 1.00 0.00 C ATOM 223 C CYS A 18 10.827 10.240 -0.659 1.00 0.00 C ATOM 224 O CYS A 18 10.124 10.390 -1.640 1.00 0.00 O ATOM 225 CB CYS A 18 9.983 11.757 1.093 1.00 0.00 C ATOM 226 SG CYS A 18 8.537 11.915 2.177 1.00 0.00 S ATOM 0 H CYS A 18 11.861 10.324 2.148 1.00 0.00 H new ATOM 0 HA CYS A 18 9.310 9.716 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.860 12.182 1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.822 12.326 0.177 1.00 0.00 H new ATOM 0 HG CYS A 18 8.699 12.931 2.972 1.00 0.00 H new ATOM 232 N PHE A 19 12.114 10.071 -0.771 1.00 0.00 N ATOM 233 CA PHE A 19 12.743 10.061 -2.124 1.00 0.00 C ATOM 234 C PHE A 19 12.745 8.658 -2.701 1.00 0.00 C ATOM 235 O PHE A 19 13.319 8.402 -3.741 1.00 0.00 O ATOM 236 CB PHE A 19 14.162 10.599 -2.034 1.00 0.00 C ATOM 237 CG PHE A 19 14.054 12.081 -1.860 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.619 12.870 -2.927 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.345 12.660 -0.626 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.480 14.247 -2.759 1.00 0.00 C ATOM 241 CE2 PHE A 19 14.197 14.036 -0.456 1.00 0.00 C ATOM 242 CZ PHE A 19 13.765 14.827 -1.521 1.00 0.00 C ATOM 0 H PHE A 19 12.757 9.940 0.010 1.00 0.00 H new ATOM 0 HA PHE A 19 12.161 10.701 -2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.693 10.149 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.725 10.356 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.391 12.415 -3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.684 12.045 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 19 13.153 14.863 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.417 14.489 0.499 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.650 15.893 -1.387 1.00 0.00 H new ATOM 252 N GLN A 20 12.066 7.757 -2.068 1.00 0.00 N ATOM 253 CA GLN A 20 11.983 6.391 -2.617 1.00 0.00 C ATOM 254 C GLN A 20 10.649 6.310 -3.344 1.00 0.00 C ATOM 255 O GLN A 20 9.723 7.016 -2.998 1.00 0.00 O ATOM 256 CB GLN A 20 12.031 5.363 -1.483 1.00 0.00 C ATOM 257 CG GLN A 20 10.729 5.424 -0.682 1.00 0.00 C ATOM 258 CD GLN A 20 10.758 4.367 0.423 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.905 3.900 0.836 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 9.725 3.961 0.918 1.00 0.00 N flip ATOM 0 H GLN A 20 11.564 7.909 -1.193 1.00 0.00 H new ATOM 0 HA GLN A 20 12.816 6.178 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.173 4.362 -1.891 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.881 5.565 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.603 6.416 -0.248 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.877 5.254 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.828 4.325 0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.755 3.256 1.655 1.00 0.00 H new ATOM 269 N PRO A 21 10.576 5.474 -4.329 1.00 0.00 N ATOM 270 CA PRO A 21 9.347 5.320 -5.107 1.00 0.00 C ATOM 271 C PRO A 21 8.305 4.619 -4.248 1.00 0.00 C ATOM 272 O PRO A 21 8.578 3.601 -3.641 1.00 0.00 O ATOM 273 CB PRO A 21 9.780 4.473 -6.308 1.00 0.00 C ATOM 274 CG PRO A 21 11.076 3.746 -5.879 1.00 0.00 C ATOM 275 CD PRO A 21 11.685 4.591 -4.742 1.00 0.00 C ATOM 0 HA PRO A 21 8.895 6.258 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.004 3.757 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.956 5.099 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.860 2.733 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.770 3.660 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.027 3.966 -3.917 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.546 5.164 -5.086 1.00 0.00 H new ATOM 283 N SER A 22 7.118 5.150 -4.164 1.00 0.00 N ATOM 284 CA SER A 22 6.103 4.494 -3.317 1.00 0.00 C ATOM 285 C SER A 22 5.117 3.769 -4.218 1.00 0.00 C ATOM 286 O SER A 22 4.365 4.380 -4.945 1.00 0.00 O ATOM 287 CB SER A 22 5.383 5.571 -2.541 1.00 0.00 C ATOM 288 OG SER A 22 5.272 5.168 -1.184 1.00 0.00 O ATOM 0 H SER A 22 6.815 5.999 -4.641 1.00 0.00 H new ATOM 0 HA SER A 22 6.562 3.781 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.927 6.513 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.394 5.743 -2.965 1.00 0.00 H new ATOM 0 HG SER A 22 4.846 5.881 -0.665 1.00 0.00 H new ATOM 294 N LYS A 23 5.126 2.464 -4.190 1.00 0.00 N ATOM 295 CA LYS A 23 4.196 1.709 -5.061 1.00 0.00 C ATOM 296 C LYS A 23 3.855 0.362 -4.430 1.00 0.00 C ATOM 297 O LYS A 23 4.714 -0.354 -3.960 1.00 0.00 O ATOM 298 CB LYS A 23 4.869 1.455 -6.399 1.00 0.00 C ATOM 299 CG LYS A 23 5.689 2.677 -6.809 1.00 0.00 C ATOM 300 CD LYS A 23 6.452 2.367 -8.097 1.00 0.00 C ATOM 301 CE LYS A 23 7.587 1.388 -7.792 1.00 0.00 C ATOM 302 NZ LYS A 23 7.169 0.009 -8.174 1.00 0.00 N ATOM 0 H LYS A 23 5.736 1.895 -3.603 1.00 0.00 H new ATOM 0 HA LYS A 23 3.283 2.291 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.514 0.579 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.118 1.239 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.034 3.535 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.387 2.944 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.777 1.939 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.854 3.285 -8.525 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.485 1.673 -8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.837 1.423 -6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.460 -0.660 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.135 -0.023 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.620 -0.254 -9.073 1.00 0.00 H new ATOM 316 N PHE A 24 2.604 0.014 -4.431 1.00 0.00 N ATOM 317 CA PHE A 24 2.178 -1.296 -3.847 1.00 0.00 C ATOM 318 C PHE A 24 1.075 -1.899 -4.713 1.00 0.00 C ATOM 319 O PHE A 24 0.420 -1.209 -5.472 1.00 0.00 O ATOM 320 CB PHE A 24 1.656 -1.135 -2.412 1.00 0.00 C ATOM 321 CG PHE A 24 1.689 0.309 -2.017 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.918 0.950 -1.879 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.499 1.008 -1.807 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.966 2.295 -1.530 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.544 2.359 -1.460 1.00 0.00 C ATOM 326 CZ PHE A 24 1.783 2.999 -1.321 1.00 0.00 C ATOM 0 H PHE A 24 1.847 0.581 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 24 3.049 -1.951 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.638 -1.517 -2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.266 -1.723 -1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.834 0.402 -2.043 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.451 0.506 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.918 2.792 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.372 2.909 -1.299 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.820 4.044 -1.050 1.00 0.00 H new ATOM 336 N LYS A 25 0.862 -3.183 -4.608 1.00 0.00 N ATOM 337 CA LYS A 25 -0.202 -3.821 -5.433 1.00 0.00 C ATOM 338 C LYS A 25 -1.292 -4.346 -4.499 1.00 0.00 C ATOM 339 O LYS A 25 -1.013 -4.848 -3.426 1.00 0.00 O ATOM 340 CB LYS A 25 0.398 -4.983 -6.228 1.00 0.00 C ATOM 341 CG LYS A 25 1.402 -4.439 -7.245 1.00 0.00 C ATOM 342 CD LYS A 25 2.787 -5.022 -6.958 1.00 0.00 C ATOM 343 CE LYS A 25 3.087 -6.139 -7.958 1.00 0.00 C ATOM 344 NZ LYS A 25 2.772 -7.458 -7.341 1.00 0.00 N ATOM 0 H LYS A 25 1.375 -3.813 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.625 -3.095 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.890 -5.683 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.391 -5.534 -6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.089 -4.699 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.436 -3.351 -7.192 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.544 -4.241 -7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.826 -5.410 -5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.496 -5.999 -8.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.136 -6.105 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.976 -8.217 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.354 -7.591 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.766 -7.488 -7.081 1.00 0.00 H new ATOM 358 N ILE A 26 -2.534 -4.214 -4.882 1.00 0.00 N ATOM 359 CA ILE A 26 -3.630 -4.685 -3.999 1.00 0.00 C ATOM 360 C ILE A 26 -4.212 -5.979 -4.551 1.00 0.00 C ATOM 361 O ILE A 26 -4.417 -6.123 -5.735 1.00 0.00 O ATOM 362 CB ILE A 26 -4.720 -3.615 -3.926 1.00 0.00 C ATOM 363 CG1 ILE A 26 -4.084 -2.269 -3.568 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.739 -3.997 -2.855 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.526 -1.210 -4.578 1.00 0.00 C ATOM 0 H ILE A 26 -2.832 -3.801 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.238 -4.869 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.221 -3.538 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.379 -1.972 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.998 -2.357 -3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.516 -3.234 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.189 -4.957 -3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.240 -4.073 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.073 -0.252 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.209 -1.506 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.612 -1.116 -4.555 1.00 0.00 H new ATOM 377 N HIS A 27 -4.466 -6.924 -3.696 1.00 0.00 N ATOM 378 CA HIS A 27 -5.022 -8.224 -4.160 1.00 0.00 C ATOM 379 C HIS A 27 -6.340 -8.509 -3.438 1.00 0.00 C ATOM 380 O HIS A 27 -6.378 -8.692 -2.234 1.00 0.00 O ATOM 381 CB HIS A 27 -4.033 -9.359 -3.850 1.00 0.00 C ATOM 382 CG HIS A 27 -2.669 -8.787 -3.595 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.115 -7.824 -4.418 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.749 -9.010 -2.603 1.00 0.00 C ATOM 385 CE1 HIS A 27 -0.917 -7.500 -3.911 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.640 -8.195 -2.804 1.00 0.00 N ATOM 0 H HIS A 27 -4.312 -6.854 -2.690 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.192 -8.168 -5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.371 -9.921 -2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.994 -10.058 -4.685 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.540 -7.432 -5.258 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.867 -9.711 -1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.255 -6.765 -4.345 1.00 0.00 H new ATOM 394 N ALA A 28 -7.420 -8.549 -4.167 1.00 0.00 N ATOM 395 CA ALA A 28 -8.744 -8.832 -3.527 1.00 0.00 C ATOM 396 C ALA A 28 -9.157 -10.286 -3.806 1.00 0.00 C ATOM 397 O ALA A 28 -9.073 -10.756 -4.920 1.00 0.00 O ATOM 398 CB ALA A 28 -9.800 -7.886 -4.105 1.00 0.00 C ATOM 0 H ALA A 28 -7.448 -8.399 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.663 -8.680 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.765 -8.090 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.512 -6.854 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.876 -8.040 -5.181 1.00 0.00 H new ATOM 404 N VAL A 29 -9.620 -11.002 -2.805 1.00 0.00 N ATOM 405 CA VAL A 29 -10.053 -12.412 -3.032 1.00 0.00 C ATOM 406 C VAL A 29 -11.477 -12.575 -2.496 1.00 0.00 C ATOM 407 O VAL A 29 -11.787 -12.198 -1.387 1.00 0.00 O ATOM 408 CB VAL A 29 -9.094 -13.381 -2.323 1.00 0.00 C ATOM 409 CG1 VAL A 29 -9.827 -14.677 -1.941 1.00 0.00 C ATOM 410 CG2 VAL A 29 -7.945 -13.724 -3.270 1.00 0.00 C ATOM 0 H VAL A 29 -9.715 -10.668 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.035 -12.642 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.715 -12.906 -1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.134 -15.353 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.654 -14.443 -1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.213 -15.155 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.259 -14.412 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.343 -14.193 -4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.413 -12.812 -3.541 1.00 0.00 H new ATOM 420 N ASP A 30 -12.338 -13.139 -3.282 1.00 0.00 N ATOM 421 CA ASP A 30 -13.746 -13.329 -2.847 1.00 0.00 C ATOM 422 C ASP A 30 -13.970 -14.820 -2.560 1.00 0.00 C ATOM 423 O ASP A 30 -13.027 -15.586 -2.559 1.00 0.00 O ATOM 424 CB ASP A 30 -14.660 -12.811 -3.961 1.00 0.00 C ATOM 425 CG ASP A 30 -14.965 -13.920 -4.973 1.00 0.00 C ATOM 426 OD1 ASP A 30 -14.045 -14.634 -5.334 1.00 0.00 O ATOM 427 OD2 ASP A 30 -16.113 -14.034 -5.368 1.00 0.00 O ATOM 0 H ASP A 30 -12.127 -13.482 -4.219 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.970 -12.776 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.590 -12.439 -3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.184 -11.971 -4.467 1.00 0.00 H new ATOM 432 N PRO A 31 -15.196 -15.196 -2.304 1.00 0.00 N ATOM 433 CA PRO A 31 -15.531 -16.592 -1.991 1.00 0.00 C ATOM 434 C PRO A 31 -15.600 -17.456 -3.258 1.00 0.00 C ATOM 435 O PRO A 31 -16.156 -18.537 -3.240 1.00 0.00 O ATOM 436 CB PRO A 31 -16.900 -16.492 -1.315 1.00 0.00 C ATOM 437 CG PRO A 31 -17.518 -15.150 -1.770 1.00 0.00 C ATOM 438 CD PRO A 31 -16.358 -14.281 -2.295 1.00 0.00 C ATOM 0 HA PRO A 31 -14.780 -17.070 -1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.536 -17.329 -1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.800 -16.525 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.263 -15.312 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.026 -14.657 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.569 -13.895 -3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.182 -13.420 -1.651 1.00 0.00 H new ATOM 446 N ASP A 32 -15.037 -17.014 -4.355 1.00 0.00 N ATOM 447 CA ASP A 32 -15.086 -17.853 -5.584 1.00 0.00 C ATOM 448 C ASP A 32 -13.663 -18.259 -5.970 1.00 0.00 C ATOM 449 O ASP A 32 -13.423 -18.775 -7.044 1.00 0.00 O ATOM 450 CB ASP A 32 -15.718 -17.051 -6.724 1.00 0.00 C ATOM 451 CG ASP A 32 -17.110 -16.574 -6.304 1.00 0.00 C ATOM 452 OD1 ASP A 32 -17.477 -16.814 -5.166 1.00 0.00 O ATOM 453 OD2 ASP A 32 -17.784 -15.976 -7.126 1.00 0.00 O ATOM 0 H ASP A 32 -14.553 -16.121 -4.450 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.684 -18.745 -5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.089 -16.196 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.788 -17.667 -7.620 1.00 0.00 H new ATOM 458 N GLY A 33 -12.710 -18.002 -5.114 1.00 0.00 N ATOM 459 CA GLY A 33 -11.301 -18.341 -5.446 1.00 0.00 C ATOM 460 C GLY A 33 -10.854 -17.330 -6.484 1.00 0.00 C ATOM 461 O GLY A 33 -10.108 -17.626 -7.395 1.00 0.00 O ATOM 0 H GLY A 33 -12.849 -17.572 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.670 -18.292 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.227 -19.357 -5.835 1.00 0.00 H new ATOM 465 N VAL A 34 -11.362 -16.136 -6.363 1.00 0.00 N ATOM 466 CA VAL A 34 -11.040 -15.080 -7.348 1.00 0.00 C ATOM 467 C VAL A 34 -11.108 -13.714 -6.668 1.00 0.00 C ATOM 468 O VAL A 34 -11.272 -13.614 -5.469 1.00 0.00 O ATOM 469 CB VAL A 34 -12.087 -15.131 -8.459 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.453 -14.689 -9.774 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.623 -16.562 -8.603 1.00 0.00 C ATOM 0 H VAL A 34 -11.992 -15.849 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.040 -15.235 -7.753 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.911 -14.463 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.199 -14.725 -10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.079 -13.670 -9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.627 -15.356 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.369 -16.593 -9.397 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.802 -17.235 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.079 -16.876 -7.664 1.00 0.00 H new ATOM 481 N HIS A 35 -11.009 -12.660 -7.429 1.00 0.00 N ATOM 482 CA HIS A 35 -11.095 -11.304 -6.828 1.00 0.00 C ATOM 483 C HIS A 35 -12.516 -10.775 -7.024 1.00 0.00 C ATOM 484 O HIS A 35 -12.742 -9.797 -7.707 1.00 0.00 O ATOM 485 CB HIS A 35 -10.087 -10.372 -7.497 1.00 0.00 C ATOM 486 CG HIS A 35 -8.723 -11.000 -7.442 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.593 -10.289 -7.064 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.286 -12.264 -7.742 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.543 -11.126 -7.154 1.00 0.00 C ATOM 490 NE2 HIS A 35 -6.910 -12.342 -7.560 1.00 0.00 N ATOM 0 H HIS A 35 -10.872 -12.681 -8.440 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.863 -11.352 -5.764 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.375 -10.188 -8.532 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.076 -9.406 -6.993 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -7.564 -9.312 -6.772 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.916 -13.077 -8.070 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.525 -10.846 -6.925 1.00 0.00 H new ATOM 498 N ARG A 36 -13.467 -11.450 -6.433 1.00 0.00 N ATOM 499 CA ARG A 36 -14.903 -11.056 -6.546 1.00 0.00 C ATOM 500 C ARG A 36 -15.249 -10.792 -8.007 1.00 0.00 C ATOM 501 O ARG A 36 -15.494 -9.673 -8.412 1.00 0.00 O ATOM 502 CB ARG A 36 -15.193 -9.815 -5.683 1.00 0.00 C ATOM 503 CG ARG A 36 -14.300 -8.643 -6.092 1.00 0.00 C ATOM 504 CD ARG A 36 -14.830 -7.358 -5.455 1.00 0.00 C ATOM 505 NE ARG A 36 -16.212 -7.094 -5.946 1.00 0.00 N ATOM 506 CZ ARG A 36 -17.224 -7.187 -5.128 1.00 0.00 C ATOM 507 NH1 ARG A 36 -17.106 -6.769 -3.898 1.00 0.00 N ATOM 508 NH2 ARG A 36 -18.352 -7.696 -5.540 1.00 0.00 N ATOM 0 H ARG A 36 -13.304 -12.279 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.526 -11.872 -6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.241 -9.532 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.029 -10.052 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.274 -8.824 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.284 -8.545 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.830 -7.451 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.178 -6.521 -5.703 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.367 -6.841 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.224 -6.370 -3.577 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.896 -6.841 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.443 -8.022 -6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.143 -7.768 -4.900 1.00 0.00 H new ATOM 522 N THR A 37 -15.278 -11.826 -8.803 1.00 0.00 N ATOM 523 CA THR A 37 -15.613 -11.638 -10.245 1.00 0.00 C ATOM 524 C THR A 37 -14.854 -10.416 -10.784 1.00 0.00 C ATOM 525 O THR A 37 -15.367 -9.315 -10.787 1.00 0.00 O ATOM 526 CB THR A 37 -17.117 -11.400 -10.388 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.764 -11.709 -9.160 1.00 0.00 O ATOM 528 CG2 THR A 37 -17.672 -12.292 -11.498 1.00 0.00 C ATOM 0 H THR A 37 -15.086 -12.787 -8.521 1.00 0.00 H new ATOM 0 HA THR A 37 -15.328 -12.527 -10.807 1.00 0.00 H new ATOM 0 HB THR A 37 -17.298 -10.355 -10.640 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.728 -11.555 -9.250 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.744 -12.122 -11.600 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.176 -12.053 -12.439 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.492 -13.338 -11.248 1.00 0.00 H new ATOM 536 N ASP A 38 -13.636 -10.592 -11.232 1.00 0.00 N ATOM 537 CA ASP A 38 -12.862 -9.429 -11.753 1.00 0.00 C ATOM 538 C ASP A 38 -13.730 -8.611 -12.712 1.00 0.00 C ATOM 539 O ASP A 38 -14.839 -8.986 -13.036 1.00 0.00 O ATOM 540 CB ASP A 38 -11.618 -9.932 -12.489 1.00 0.00 C ATOM 541 CG ASP A 38 -10.373 -9.264 -11.897 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.144 -8.106 -12.204 1.00 0.00 O ATOM 543 OD2 ASP A 38 -9.670 -9.921 -11.147 1.00 0.00 O ATOM 0 H ASP A 38 -13.148 -11.487 -11.259 1.00 0.00 H new ATOM 0 HA ASP A 38 -12.561 -8.797 -10.918 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.541 -11.015 -12.398 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.695 -9.706 -13.553 1.00 0.00 H new ATOM 548 N GLY A 39 -13.232 -7.493 -13.165 1.00 0.00 N ATOM 549 CA GLY A 39 -14.026 -6.647 -14.100 1.00 0.00 C ATOM 550 C GLY A 39 -14.767 -5.559 -13.312 1.00 0.00 C ATOM 551 O GLY A 39 -14.827 -4.419 -13.726 1.00 0.00 O ATOM 0 H GLY A 39 -12.309 -7.129 -12.928 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.368 -6.190 -14.839 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.740 -7.264 -14.646 1.00 0.00 H new ATOM 555 N GLY A 40 -15.337 -5.898 -12.181 1.00 0.00 N ATOM 556 CA GLY A 40 -16.071 -4.873 -11.384 1.00 0.00 C ATOM 557 C GLY A 40 -15.814 -5.094 -9.888 1.00 0.00 C ATOM 558 O GLY A 40 -16.706 -5.448 -9.143 1.00 0.00 O ATOM 0 H GLY A 40 -15.325 -6.835 -11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.747 -3.873 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.139 -4.935 -11.592 1.00 0.00 H new ATOM 562 N ASP A 41 -14.602 -4.886 -9.438 1.00 0.00 N ATOM 563 CA ASP A 41 -14.302 -5.084 -7.991 1.00 0.00 C ATOM 564 C ASP A 41 -14.488 -3.760 -7.252 1.00 0.00 C ATOM 565 O ASP A 41 -13.912 -2.755 -7.615 1.00 0.00 O ATOM 566 CB ASP A 41 -12.850 -5.547 -7.825 1.00 0.00 C ATOM 567 CG ASP A 41 -12.567 -6.704 -8.784 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.424 -6.996 -9.601 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.496 -7.281 -8.684 1.00 0.00 O ATOM 0 H ASP A 41 -13.811 -4.589 -10.009 1.00 0.00 H new ATOM 0 HA ASP A 41 -14.976 -5.837 -7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.169 -4.720 -8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.674 -5.862 -6.797 1.00 0.00 H new ATOM 574 N GLY A 42 -15.270 -3.747 -6.206 1.00 0.00 N ATOM 575 CA GLY A 42 -15.458 -2.478 -5.447 1.00 0.00 C ATOM 576 C GLY A 42 -14.158 -2.170 -4.710 1.00 0.00 C ATOM 577 O GLY A 42 -14.115 -2.104 -3.498 1.00 0.00 O ATOM 0 H GLY A 42 -15.782 -4.553 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.714 -1.663 -6.125 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.282 -2.575 -4.740 1.00 0.00 H new ATOM 581 N PHE A 43 -13.092 -2.005 -5.440 1.00 0.00 N ATOM 582 CA PHE A 43 -11.777 -1.730 -4.809 1.00 0.00 C ATOM 583 C PHE A 43 -11.464 -0.239 -4.884 1.00 0.00 C ATOM 584 O PHE A 43 -11.195 0.295 -5.941 1.00 0.00 O ATOM 585 CB PHE A 43 -10.706 -2.499 -5.574 1.00 0.00 C ATOM 586 CG PHE A 43 -9.892 -3.356 -4.635 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.684 -2.963 -3.306 1.00 0.00 C ATOM 588 CD2 PHE A 43 -9.334 -4.549 -5.105 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.917 -3.768 -2.453 1.00 0.00 C ATOM 590 CE2 PHE A 43 -8.569 -5.353 -4.255 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.361 -4.963 -2.929 1.00 0.00 C ATOM 0 H PHE A 43 -13.078 -2.050 -6.459 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.800 -2.038 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.174 -3.126 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.052 -1.800 -6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.114 -2.042 -2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.495 -4.851 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.754 -3.467 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.140 -6.273 -4.622 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.771 -5.583 -2.271 1.00 0.00 H new ATOM 601 N VAL A 44 -11.465 0.431 -3.771 1.00 0.00 N ATOM 602 CA VAL A 44 -11.130 1.878 -3.787 1.00 0.00 C ATOM 603 C VAL A 44 -9.885 2.085 -2.924 1.00 0.00 C ATOM 604 O VAL A 44 -9.908 1.903 -1.723 1.00 0.00 O ATOM 605 CB VAL A 44 -12.322 2.730 -3.274 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.344 1.853 -2.543 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.836 3.837 -2.322 1.00 0.00 C ATOM 0 H VAL A 44 -11.682 0.042 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.928 2.205 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.795 3.186 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.170 2.472 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.724 1.092 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.866 1.370 -1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.690 4.420 -1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.334 3.386 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.140 4.490 -2.849 1.00 0.00 H new ATOM 617 N VAL A 45 -8.799 2.468 -3.533 1.00 0.00 N ATOM 618 CA VAL A 45 -7.552 2.693 -2.760 1.00 0.00 C ATOM 619 C VAL A 45 -7.139 4.147 -2.915 1.00 0.00 C ATOM 620 O VAL A 45 -7.402 4.774 -3.922 1.00 0.00 O ATOM 621 CB VAL A 45 -6.435 1.794 -3.288 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.321 1.684 -2.242 1.00 0.00 C ATOM 623 CG2 VAL A 45 -6.989 0.403 -3.593 1.00 0.00 C ATOM 0 H VAL A 45 -8.723 2.635 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.728 2.458 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.031 2.228 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.527 1.042 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.918 2.675 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.725 1.256 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.188 -0.233 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.401 -0.032 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.774 0.481 -4.345 1.00 0.00 H new ATOM 633 N THR A 46 -6.498 4.693 -1.929 1.00 0.00 N ATOM 634 CA THR A 46 -6.080 6.110 -2.036 1.00 0.00 C ATOM 635 C THR A 46 -4.962 6.414 -1.043 1.00 0.00 C ATOM 636 O THR A 46 -5.062 6.143 0.139 1.00 0.00 O ATOM 637 CB THR A 46 -7.277 7.019 -1.749 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.324 6.250 -1.174 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.759 7.653 -3.053 1.00 0.00 C ATOM 0 H THR A 46 -6.246 4.224 -1.059 1.00 0.00 H new ATOM 0 HA THR A 46 -5.712 6.291 -3.046 1.00 0.00 H new ATOM 0 HB THR A 46 -6.982 7.806 -1.054 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.092 6.830 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.612 8.301 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.953 8.241 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.057 6.870 -3.750 1.00 0.00 H new ATOM 647 N ILE A 47 -3.912 7.007 -1.525 1.00 0.00 N ATOM 648 CA ILE A 47 -2.779 7.390 -0.646 1.00 0.00 C ATOM 649 C ILE A 47 -2.578 8.888 -0.735 1.00 0.00 C ATOM 650 O ILE A 47 -2.908 9.513 -1.722 1.00 0.00 O ATOM 651 CB ILE A 47 -1.476 6.721 -1.100 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.367 5.312 -0.494 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.272 7.586 -0.663 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.080 5.073 -0.056 1.00 0.00 C ATOM 0 H ILE A 47 -3.789 7.247 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.014 7.073 0.370 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.476 6.632 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.040 5.215 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.668 4.562 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.654 7.110 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.350 8.574 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.270 7.685 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.170 4.076 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.740 5.155 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.362 5.817 0.688 1.00 0.00 H new ATOM 666 N GLU A 48 -1.984 9.465 0.261 1.00 0.00 N ATOM 667 CA GLU A 48 -1.716 10.915 0.165 1.00 0.00 C ATOM 668 C GLU A 48 -0.806 11.377 1.303 1.00 0.00 C ATOM 669 O GLU A 48 -0.730 10.771 2.357 1.00 0.00 O ATOM 670 CB GLU A 48 -3.033 11.695 0.201 1.00 0.00 C ATOM 671 CG GLU A 48 -4.006 11.017 1.168 1.00 0.00 C ATOM 672 CD GLU A 48 -4.491 12.038 2.199 1.00 0.00 C ATOM 673 OE1 GLU A 48 -3.654 12.724 2.762 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.690 12.116 2.408 1.00 0.00 O ATOM 0 H GLU A 48 -1.678 9.008 1.120 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.209 11.108 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.850 12.723 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.468 11.739 -0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.854 10.606 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.516 10.182 1.669 1.00 0.00 H new ATOM 681 N GLY A 49 -0.116 12.455 1.071 1.00 0.00 N ATOM 682 CA GLY A 49 0.814 13.019 2.087 1.00 0.00 C ATOM 683 C GLY A 49 1.137 14.461 1.685 1.00 0.00 C ATOM 684 O GLY A 49 0.498 15.012 0.811 1.00 0.00 O ATOM 0 H GLY A 49 -0.158 12.982 0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.358 12.992 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.726 12.425 2.140 1.00 0.00 H new ATOM 688 N PRO A 50 2.116 15.033 2.328 1.00 0.00 N ATOM 689 CA PRO A 50 2.539 16.416 2.046 1.00 0.00 C ATOM 690 C PRO A 50 3.340 16.469 0.740 1.00 0.00 C ATOM 691 O PRO A 50 4.544 16.635 0.746 1.00 0.00 O ATOM 692 CB PRO A 50 3.413 16.776 3.249 1.00 0.00 C ATOM 693 CG PRO A 50 3.894 15.436 3.856 1.00 0.00 C ATOM 694 CD PRO A 50 2.896 14.360 3.385 1.00 0.00 C ATOM 0 HA PRO A 50 1.706 17.107 1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.260 17.390 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.848 17.353 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.905 15.200 3.523 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.921 15.490 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.411 13.479 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.256 14.025 4.201 1.00 0.00 H new ATOM 702 N ALA A 51 2.680 16.327 -0.379 1.00 0.00 N ATOM 703 CA ALA A 51 3.401 16.364 -1.684 1.00 0.00 C ATOM 704 C ALA A 51 2.440 16.808 -2.792 1.00 0.00 C ATOM 705 O ALA A 51 1.268 17.015 -2.548 1.00 0.00 O ATOM 706 CB ALA A 51 3.936 14.967 -2.002 1.00 0.00 C ATOM 0 H ALA A 51 1.672 16.187 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 51 4.229 17.070 -1.623 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.464 14.988 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.621 14.652 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.105 14.264 -2.063 1.00 0.00 H new ATOM 712 N PRO A 52 2.971 16.940 -3.984 1.00 0.00 N ATOM 713 CA PRO A 52 2.188 17.357 -5.162 1.00 0.00 C ATOM 714 C PRO A 52 1.361 16.181 -5.695 1.00 0.00 C ATOM 715 O PRO A 52 0.174 16.299 -5.931 1.00 0.00 O ATOM 716 CB PRO A 52 3.260 17.780 -6.172 1.00 0.00 C ATOM 717 CG PRO A 52 4.565 17.065 -5.750 1.00 0.00 C ATOM 718 CD PRO A 52 4.399 16.686 -4.265 1.00 0.00 C ATOM 0 HA PRO A 52 1.476 18.154 -4.948 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.972 17.497 -7.185 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.391 18.862 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.735 16.178 -6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.427 17.718 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.660 15.643 -4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.044 17.289 -3.626 1.00 0.00 H new ATOM 726 N VAL A 53 1.978 15.045 -5.875 1.00 0.00 N ATOM 727 CA VAL A 53 1.237 13.852 -6.378 1.00 0.00 C ATOM 728 C VAL A 53 0.865 12.966 -5.185 1.00 0.00 C ATOM 729 O VAL A 53 1.513 11.973 -4.923 1.00 0.00 O ATOM 730 CB VAL A 53 2.142 13.064 -7.330 1.00 0.00 C ATOM 731 CG1 VAL A 53 1.436 11.780 -7.769 1.00 0.00 C ATOM 732 CG2 VAL A 53 2.456 13.919 -8.560 1.00 0.00 C ATOM 0 H VAL A 53 2.970 14.891 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 53 0.336 14.165 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 53 3.069 12.808 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.083 11.222 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.214 11.169 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.507 12.032 -8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.100 13.359 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.528 14.176 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.964 14.832 -8.249 1.00 0.00 H new ATOM 742 N ASP A 54 -0.147 13.326 -4.437 1.00 0.00 N ATOM 743 CA ASP A 54 -0.508 12.504 -3.248 1.00 0.00 C ATOM 744 C ASP A 54 -1.537 11.412 -3.605 1.00 0.00 C ATOM 745 O ASP A 54 -1.334 10.263 -3.267 1.00 0.00 O ATOM 746 CB ASP A 54 -1.047 13.423 -2.143 1.00 0.00 C ATOM 747 CG ASP A 54 0.090 14.302 -1.620 1.00 0.00 C ATOM 748 OD1 ASP A 54 1.185 13.787 -1.460 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.152 15.475 -1.389 1.00 0.00 O ATOM 0 H ASP A 54 -0.732 14.146 -4.598 1.00 0.00 H new ATOM 0 HA ASP A 54 0.387 11.994 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.854 14.045 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.466 12.828 -1.331 1.00 0.00 H new ATOM 754 N PRO A 55 -2.612 11.781 -4.268 1.00 0.00 N ATOM 755 CA PRO A 55 -3.665 10.816 -4.653 1.00 0.00 C ATOM 756 C PRO A 55 -3.262 10.053 -5.919 1.00 0.00 C ATOM 757 O PRO A 55 -3.425 10.542 -7.019 1.00 0.00 O ATOM 758 CB PRO A 55 -4.875 11.707 -4.936 1.00 0.00 C ATOM 759 CG PRO A 55 -4.316 13.111 -5.269 1.00 0.00 C ATOM 760 CD PRO A 55 -2.886 13.169 -4.694 1.00 0.00 C ATOM 0 HA PRO A 55 -3.852 10.064 -3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.460 11.315 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.538 11.748 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.307 13.278 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.941 13.890 -4.831 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.169 13.505 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.821 13.863 -3.856 1.00 0.00 H new ATOM 768 N VAL A 56 -2.724 8.869 -5.785 1.00 0.00 N ATOM 769 CA VAL A 56 -2.305 8.114 -6.985 1.00 0.00 C ATOM 770 C VAL A 56 -2.762 6.663 -6.893 1.00 0.00 C ATOM 771 O VAL A 56 -2.065 5.825 -6.356 1.00 0.00 O ATOM 772 CB VAL A 56 -0.798 8.111 -7.040 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.346 7.691 -8.441 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.264 9.509 -6.723 1.00 0.00 C ATOM 0 H VAL A 56 -2.560 8.399 -4.895 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.744 8.582 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.409 7.408 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.743 7.687 -8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.722 6.692 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.737 8.395 -9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.825 9.500 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.649 10.220 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.587 9.804 -5.725 1.00 0.00 H new ATOM 784 N MET A 57 -3.900 6.341 -7.421 1.00 0.00 N ATOM 785 CA MET A 57 -4.340 4.923 -7.357 1.00 0.00 C ATOM 786 C MET A 57 -4.965 4.500 -8.688 1.00 0.00 C ATOM 787 O MET A 57 -5.741 5.219 -9.286 1.00 0.00 O ATOM 788 CB MET A 57 -5.334 4.740 -6.206 1.00 0.00 C ATOM 789 CG MET A 57 -6.658 5.417 -6.555 1.00 0.00 C ATOM 790 SD MET A 57 -7.958 4.166 -6.695 1.00 0.00 S ATOM 791 CE MET A 57 -9.156 5.191 -7.578 1.00 0.00 C ATOM 0 H MET A 57 -4.539 6.984 -7.888 1.00 0.00 H new ATOM 0 HA MET A 57 -3.474 4.288 -7.173 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.496 3.679 -6.018 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.927 5.167 -5.290 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.920 6.145 -5.787 1.00 0.00 H new ATOM 0 HG3 MET A 57 -6.563 5.964 -7.493 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.057 4.610 -7.774 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.409 6.060 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.725 5.522 -8.523 1.00 0.00 H new ATOM 801 N VAL A 58 -4.611 3.329 -9.160 1.00 0.00 N ATOM 802 CA VAL A 58 -5.158 2.844 -10.458 1.00 0.00 C ATOM 803 C VAL A 58 -5.591 1.377 -10.328 1.00 0.00 C ATOM 804 O VAL A 58 -5.100 0.638 -9.489 1.00 0.00 O ATOM 805 CB VAL A 58 -4.094 2.942 -11.556 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.725 3.519 -12.823 1.00 0.00 C ATOM 807 CG2 VAL A 58 -2.942 3.851 -11.108 1.00 0.00 C ATOM 0 H VAL A 58 -3.965 2.689 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.014 3.466 -10.721 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.702 1.945 -11.754 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.970 3.590 -13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.533 2.868 -13.156 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.123 4.512 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.195 3.909 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.327 4.849 -10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.484 3.441 -10.207 1.00 0.00 H new ATOM 817 N ASP A 59 -6.502 0.951 -11.164 1.00 0.00 N ATOM 818 CA ASP A 59 -6.983 -0.458 -11.116 1.00 0.00 C ATOM 819 C ASP A 59 -6.694 -1.140 -12.459 1.00 0.00 C ATOM 820 O ASP A 59 -6.947 -0.587 -13.511 1.00 0.00 O ATOM 821 CB ASP A 59 -8.491 -0.447 -10.853 1.00 0.00 C ATOM 822 CG ASP A 59 -9.031 -1.876 -10.830 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.560 -2.680 -11.614 1.00 0.00 O ATOM 824 OD2 ASP A 59 -9.914 -2.139 -10.032 1.00 0.00 O ATOM 0 H ASP A 59 -6.937 1.527 -11.885 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.473 -1.005 -10.323 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.698 0.044 -9.902 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.999 0.129 -11.626 1.00 0.00 H new ATOM 829 N ASN A 60 -6.153 -2.330 -12.434 1.00 0.00 N ATOM 830 CA ASN A 60 -5.834 -3.035 -13.714 1.00 0.00 C ATOM 831 C ASN A 60 -7.029 -3.865 -14.197 1.00 0.00 C ATOM 832 O ASN A 60 -7.155 -4.146 -15.372 1.00 0.00 O ATOM 833 CB ASN A 60 -4.627 -3.954 -13.500 1.00 0.00 C ATOM 834 CG ASN A 60 -3.814 -4.039 -14.793 1.00 0.00 C ATOM 835 OD1 ASN A 60 -2.637 -4.340 -14.766 1.00 0.00 O ATOM 836 ND2 ASN A 60 -4.396 -3.784 -15.933 1.00 0.00 N ATOM 0 H ASN A 60 -5.918 -2.845 -11.585 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.605 -2.287 -14.473 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.004 -3.572 -12.691 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.962 -4.948 -13.202 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.863 -3.837 -16.801 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.384 -3.531 -15.956 1.00 0.00 H new ATOM 843 N GLY A 61 -7.914 -4.253 -13.322 1.00 0.00 N ATOM 844 CA GLY A 61 -9.089 -5.045 -13.772 1.00 0.00 C ATOM 845 C GLY A 61 -8.769 -6.546 -13.731 1.00 0.00 C ATOM 846 O GLY A 61 -9.468 -7.351 -14.314 1.00 0.00 O ATOM 0 H GLY A 61 -7.874 -4.057 -12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.946 -4.832 -13.133 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.366 -4.753 -14.785 1.00 0.00 H new ATOM 850 N ASP A 62 -7.725 -6.932 -13.045 1.00 0.00 N ATOM 851 CA ASP A 62 -7.377 -8.378 -12.973 1.00 0.00 C ATOM 852 C ASP A 62 -7.369 -8.821 -11.507 1.00 0.00 C ATOM 853 O ASP A 62 -6.722 -9.784 -11.144 1.00 0.00 O ATOM 854 CB ASP A 62 -5.991 -8.598 -13.585 1.00 0.00 C ATOM 855 CG ASP A 62 -4.971 -7.714 -12.867 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.378 -6.956 -12.002 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.799 -7.808 -13.194 1.00 0.00 O ATOM 0 H ASP A 62 -7.101 -6.308 -12.533 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.112 -8.963 -13.526 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.705 -9.646 -13.497 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.009 -8.360 -14.649 1.00 0.00 H new ATOM 862 N GLY A 63 -8.083 -8.125 -10.663 1.00 0.00 N ATOM 863 CA GLY A 63 -8.120 -8.505 -9.220 1.00 0.00 C ATOM 864 C GLY A 63 -6.879 -7.960 -8.503 1.00 0.00 C ATOM 865 O GLY A 63 -6.773 -8.017 -7.284 1.00 0.00 O ATOM 0 H GLY A 63 -8.643 -7.309 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.023 -8.109 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.160 -9.590 -9.122 1.00 0.00 H new ATOM 869 N THR A 64 -5.945 -7.429 -9.250 1.00 0.00 N ATOM 870 CA THR A 64 -4.709 -6.870 -8.635 1.00 0.00 C ATOM 871 C THR A 64 -4.589 -5.391 -9.027 1.00 0.00 C ATOM 872 O THR A 64 -4.329 -5.072 -10.170 1.00 0.00 O ATOM 873 CB THR A 64 -3.491 -7.634 -9.159 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.589 -7.770 -10.570 1.00 0.00 O ATOM 875 CG2 THR A 64 -3.436 -9.020 -8.512 1.00 0.00 C ATOM 0 H THR A 64 -5.988 -7.359 -10.267 1.00 0.00 H new ATOM 0 HA THR A 64 -4.757 -6.966 -7.550 1.00 0.00 H new ATOM 0 HB THR A 64 -2.583 -7.084 -8.910 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.097 -7.017 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.568 -9.562 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.358 -8.914 -7.430 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.343 -9.573 -8.758 1.00 0.00 H new ATOM 883 N TYR A 65 -4.792 -4.485 -8.106 1.00 0.00 N ATOM 884 CA TYR A 65 -4.709 -3.037 -8.459 1.00 0.00 C ATOM 885 C TYR A 65 -3.455 -2.421 -7.846 1.00 0.00 C ATOM 886 O TYR A 65 -2.891 -2.950 -6.912 1.00 0.00 O ATOM 887 CB TYR A 65 -5.983 -2.345 -7.976 1.00 0.00 C ATOM 888 CG TYR A 65 -7.162 -3.156 -8.471 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.025 -3.933 -9.630 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.377 -3.148 -7.781 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.091 -4.695 -10.099 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.450 -3.915 -8.254 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.307 -4.688 -9.412 1.00 0.00 C ATOM 894 OH TYR A 65 -10.366 -5.441 -9.876 1.00 0.00 O ATOM 0 H TYR A 65 -5.011 -4.684 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.633 -2.909 -9.539 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.994 -2.279 -6.888 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -6.033 -1.325 -8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.086 -3.940 -10.163 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.489 -2.553 -6.887 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.978 -5.291 -10.993 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.391 -3.910 -7.723 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.303 -6.350 -9.516 1.00 0.00 H new ATOM 904 N ASP A 66 -2.978 -1.331 -8.391 1.00 0.00 N ATOM 905 CA ASP A 66 -1.728 -0.742 -7.849 1.00 0.00 C ATOM 906 C ASP A 66 -1.925 0.728 -7.502 1.00 0.00 C ATOM 907 O ASP A 66 -2.778 1.408 -8.038 1.00 0.00 O ATOM 908 CB ASP A 66 -0.615 -0.865 -8.893 1.00 0.00 C ATOM 909 CG ASP A 66 -0.738 -2.204 -9.622 1.00 0.00 C ATOM 910 OD1 ASP A 66 -1.790 -2.455 -10.186 1.00 0.00 O ATOM 911 OD2 ASP A 66 0.222 -2.956 -9.604 1.00 0.00 O ATOM 0 H ASP A 66 -3.397 -0.833 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.457 -1.282 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.680 -0.044 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.359 -0.791 -8.410 1.00 0.00 H new ATOM 916 N VAL A 67 -1.121 1.216 -6.605 1.00 0.00 N ATOM 917 CA VAL A 67 -1.212 2.640 -6.193 1.00 0.00 C ATOM 918 C VAL A 67 0.218 3.178 -6.024 1.00 0.00 C ATOM 919 O VAL A 67 1.099 2.449 -5.606 1.00 0.00 O ATOM 920 CB VAL A 67 -1.985 2.714 -4.876 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.180 1.760 -4.940 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.097 2.285 -3.733 1.00 0.00 C ATOM 0 H VAL A 67 -0.393 0.680 -6.132 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.733 3.241 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.321 3.739 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.735 1.809 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.833 2.049 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.825 0.742 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.655 2.340 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.763 1.260 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.231 2.944 -3.678 1.00 0.00 H new ATOM 932 N GLU A 68 0.487 4.427 -6.358 1.00 0.00 N ATOM 933 CA GLU A 68 1.902 4.915 -6.216 1.00 0.00 C ATOM 934 C GLU A 68 1.992 6.426 -5.993 1.00 0.00 C ATOM 935 O GLU A 68 1.498 7.208 -6.764 1.00 0.00 O ATOM 936 CB GLU A 68 2.683 4.629 -7.497 1.00 0.00 C ATOM 937 CG GLU A 68 2.382 3.220 -8.020 1.00 0.00 C ATOM 938 CD GLU A 68 1.016 3.207 -8.707 1.00 0.00 C ATOM 939 OE1 GLU A 68 0.674 4.205 -9.321 1.00 0.00 O ATOM 940 OE2 GLU A 68 0.333 2.200 -8.608 1.00 0.00 O ATOM 0 H GLU A 68 -0.187 5.107 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 68 2.310 4.392 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.424 5.366 -8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.751 4.730 -7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.156 2.909 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.393 2.506 -7.197 1.00 0.00 H new ATOM 947 N PHE A 69 2.722 6.834 -5.003 1.00 0.00 N ATOM 948 CA PHE A 69 2.935 8.297 -4.777 1.00 0.00 C ATOM 949 C PHE A 69 4.441 8.502 -4.536 1.00 0.00 C ATOM 950 O PHE A 69 5.145 7.573 -4.166 1.00 0.00 O ATOM 951 CB PHE A 69 2.110 8.823 -3.581 1.00 0.00 C ATOM 952 CG PHE A 69 2.642 8.258 -2.304 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.592 6.883 -2.075 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.170 9.117 -1.338 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.070 6.368 -0.873 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.652 8.599 -0.141 1.00 0.00 C ATOM 957 CZ PHE A 69 3.597 7.218 0.087 1.00 0.00 C ATOM 0 H PHE A 69 3.186 6.221 -4.333 1.00 0.00 H new ATOM 0 HA PHE A 69 2.598 8.860 -5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.151 9.912 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.063 8.547 -3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.185 6.222 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.204 10.181 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.030 5.305 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.066 9.257 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.968 6.813 1.017 1.00 0.00 H new ATOM 967 N GLU A 70 4.968 9.675 -4.779 1.00 0.00 N ATOM 968 CA GLU A 70 6.438 9.861 -4.581 1.00 0.00 C ATOM 969 C GLU A 70 6.761 11.323 -4.194 1.00 0.00 C ATOM 970 O GLU A 70 6.825 12.191 -5.041 1.00 0.00 O ATOM 971 CB GLU A 70 7.156 9.482 -5.878 1.00 0.00 C ATOM 972 CG GLU A 70 6.898 10.541 -6.954 1.00 0.00 C ATOM 973 CD GLU A 70 7.060 9.912 -8.339 1.00 0.00 C ATOM 974 OE1 GLU A 70 7.833 8.976 -8.457 1.00 0.00 O ATOM 975 OE2 GLU A 70 6.407 10.377 -9.259 1.00 0.00 O ATOM 0 H GLU A 70 4.457 10.497 -5.100 1.00 0.00 H new ATOM 0 HA GLU A 70 6.779 9.221 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.227 9.391 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.808 8.509 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.893 10.949 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.594 11.371 -6.836 1.00 0.00 H new ATOM 982 N PRO A 71 6.950 11.548 -2.913 1.00 0.00 N ATOM 983 CA PRO A 71 7.265 12.890 -2.363 1.00 0.00 C ATOM 984 C PRO A 71 8.768 13.222 -2.470 1.00 0.00 C ATOM 985 O PRO A 71 9.562 12.438 -2.951 1.00 0.00 O ATOM 986 CB PRO A 71 6.865 12.763 -0.892 1.00 0.00 C ATOM 987 CG PRO A 71 6.905 11.250 -0.554 1.00 0.00 C ATOM 988 CD PRO A 71 6.846 10.490 -1.890 1.00 0.00 C ATOM 0 HA PRO A 71 6.749 13.686 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.550 13.321 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.869 13.172 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.815 11.001 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.065 10.975 0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.661 9.772 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.916 9.930 -1.989 1.00 0.00 H new ATOM 996 N LYS A 72 9.153 14.396 -2.010 1.00 0.00 N ATOM 997 CA LYS A 72 10.594 14.817 -2.061 1.00 0.00 C ATOM 998 C LYS A 72 10.968 15.590 -0.786 1.00 0.00 C ATOM 999 O LYS A 72 11.799 16.473 -0.817 1.00 0.00 O ATOM 1000 CB LYS A 72 10.810 15.737 -3.257 1.00 0.00 C ATOM 1001 CG LYS A 72 10.584 14.958 -4.553 1.00 0.00 C ATOM 1002 CD LYS A 72 10.952 15.837 -5.749 1.00 0.00 C ATOM 1003 CE LYS A 72 9.969 17.003 -5.848 1.00 0.00 C ATOM 1004 NZ LYS A 72 10.719 18.290 -5.837 1.00 0.00 N ATOM 0 H LYS A 72 8.523 15.085 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 72 11.214 13.925 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.125 16.583 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.821 16.144 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.189 14.052 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.542 14.646 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.969 16.214 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.929 15.249 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.382 16.920 -6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.267 16.972 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.049 19.083 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.261 18.369 -4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.372 18.318 -6.646 1.00 0.00 H new ATOM 1018 N GLU A 73 10.365 15.291 0.336 1.00 0.00 N ATOM 1019 CA GLU A 73 10.712 16.027 1.575 1.00 0.00 C ATOM 1020 C GLU A 73 10.431 15.122 2.772 1.00 0.00 C ATOM 1021 O GLU A 73 10.329 13.920 2.646 1.00 0.00 O ATOM 1022 CB GLU A 73 9.851 17.289 1.664 1.00 0.00 C ATOM 1023 CG GLU A 73 8.392 16.891 1.909 1.00 0.00 C ATOM 1024 CD GLU A 73 7.881 17.555 3.190 1.00 0.00 C ATOM 1025 OE1 GLU A 73 8.611 18.355 3.752 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.767 17.253 3.586 1.00 0.00 O ATOM 0 H GLU A 73 9.651 14.571 0.442 1.00 0.00 H new ATOM 0 HA GLU A 73 11.764 16.311 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.206 17.929 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.933 17.865 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.776 17.193 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.310 15.807 1.993 1.00 0.00 H new ATOM 1033 N ALA A 74 10.269 15.697 3.923 1.00 0.00 N ATOM 1034 CA ALA A 74 9.949 14.889 5.130 1.00 0.00 C ATOM 1035 C ALA A 74 8.427 14.853 5.253 1.00 0.00 C ATOM 1036 O ALA A 74 7.783 15.879 5.355 1.00 0.00 O ATOM 1037 CB ALA A 74 10.567 15.538 6.369 1.00 0.00 C ATOM 0 H ALA A 74 10.345 16.701 4.084 1.00 0.00 H new ATOM 0 HA ALA A 74 10.352 13.880 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.329 14.941 7.249 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.649 15.593 6.250 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.164 16.543 6.492 1.00 0.00 H new ATOM 1043 N GLY A 75 7.836 13.695 5.187 1.00 0.00 N ATOM 1044 CA GLY A 75 6.351 13.631 5.239 1.00 0.00 C ATOM 1045 C GLY A 75 5.884 12.238 5.652 1.00 0.00 C ATOM 1046 O GLY A 75 6.614 11.275 5.581 1.00 0.00 O ATOM 0 H GLY A 75 8.312 12.797 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.975 14.370 5.946 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.937 13.884 4.263 1.00 0.00 H new ATOM 1050 N ASP A 76 4.663 12.136 6.080 1.00 0.00 N ATOM 1051 CA ASP A 76 4.115 10.819 6.497 1.00 0.00 C ATOM 1052 C ASP A 76 3.041 10.435 5.493 1.00 0.00 C ATOM 1053 O ASP A 76 2.516 11.269 4.781 1.00 0.00 O ATOM 1054 CB ASP A 76 3.501 10.927 7.894 1.00 0.00 C ATOM 1055 CG ASP A 76 2.466 12.052 7.911 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.759 12.194 6.928 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.399 12.755 8.907 1.00 0.00 O ATOM 0 H ASP A 76 4.012 12.917 6.160 1.00 0.00 H new ATOM 0 HA ASP A 76 4.904 10.068 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.032 9.983 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.280 11.124 8.631 1.00 0.00 H new ATOM 1062 N TYR A 77 2.742 9.178 5.391 1.00 0.00 N ATOM 1063 CA TYR A 77 1.738 8.748 4.386 1.00 0.00 C ATOM 1064 C TYR A 77 0.499 8.215 5.058 1.00 0.00 C ATOM 1065 O TYR A 77 0.555 7.444 5.991 1.00 0.00 O ATOM 1066 CB TYR A 77 2.284 7.606 3.541 1.00 0.00 C ATOM 1067 CG TYR A 77 3.702 7.869 3.156 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.113 9.168 2.872 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.594 6.803 3.049 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.427 9.408 2.474 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.909 7.036 2.652 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.330 8.341 2.361 1.00 0.00 C ATOM 1073 OH TYR A 77 7.630 8.576 1.965 1.00 0.00 O ATOM 0 H TYR A 77 3.146 8.431 5.956 1.00 0.00 H new ATOM 0 HA TYR A 77 1.509 9.622 3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.220 6.671 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.675 7.485 2.645 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.416 9.988 2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.266 5.799 3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.749 10.415 2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.603 6.213 2.569 1.00 0.00 H new ATOM 0 HH TYR A 77 7.854 9.517 2.120 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.621 8.574 4.529 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.890 8.048 5.063 1.00 0.00 C ATOM 1085 C VAL A 78 -2.474 7.181 3.969 1.00 0.00 C ATOM 1086 O VAL A 78 -2.532 7.575 2.808 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.841 9.178 5.418 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.790 10.247 4.329 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.262 8.623 5.550 1.00 0.00 C ATOM 0 H VAL A 78 -0.714 9.216 3.742 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.728 7.480 5.979 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.545 9.626 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.472 11.058 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.775 10.638 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.086 9.809 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.946 9.432 5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.567 8.174 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.286 7.867 6.335 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.841 5.987 4.308 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.355 5.061 3.262 1.00 0.00 C ATOM 1101 C ILE A 79 -4.855 4.846 3.359 1.00 0.00 C ATOM 1102 O ILE A 79 -5.487 5.027 4.380 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.647 3.703 3.358 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.599 3.715 4.478 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -1.956 3.404 2.028 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.781 2.423 4.423 1.00 0.00 C ATOM 0 H ILE A 79 -2.810 5.609 5.255 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.145 5.530 2.301 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.389 2.936 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.943 4.579 4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.088 3.808 5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.451 2.440 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.699 3.374 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.225 4.184 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.036 2.430 5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.443 1.567 4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.280 2.350 3.457 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.407 4.436 2.262 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.849 4.144 2.187 1.00 0.00 C ATOM 1120 C ASN A 80 -7.035 3.038 1.145 1.00 0.00 C ATOM 1121 O ASN A 80 -6.778 3.220 -0.025 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.603 5.397 1.770 1.00 0.00 C ATOM 1123 CG ASN A 80 -7.013 6.614 2.482 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -7.049 6.699 3.695 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -6.470 7.569 1.778 1.00 0.00 N ATOM 0 H ASN A 80 -4.900 4.288 1.389 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.236 3.823 3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.539 5.529 0.690 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.660 5.296 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.076 8.386 2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.439 7.499 0.761 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.468 1.891 1.575 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.672 0.745 0.643 1.00 0.00 C ATOM 1134 C LEU A 81 -8.987 0.100 1.027 1.00 0.00 C ATOM 1135 O LEU A 81 -9.152 -0.360 2.133 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.518 -0.253 0.804 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.779 -1.558 0.035 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.460 -2.557 0.959 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -7.665 -1.311 -1.183 1.00 0.00 C ATOM 0 H LEU A 81 -7.694 1.692 2.550 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.694 1.071 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.593 0.200 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.376 -0.477 1.861 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.823 -1.953 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.647 -3.484 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.815 -2.760 1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.406 -2.143 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.833 -2.252 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.621 -0.900 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.174 -0.605 -1.853 1.00 0.00 H new ATOM 1151 N THR A 82 -9.943 0.114 0.155 1.00 0.00 N ATOM 1152 CA THR A 82 -11.273 -0.444 0.536 1.00 0.00 C ATOM 1153 C THR A 82 -11.805 -1.434 -0.497 1.00 0.00 C ATOM 1154 O THR A 82 -11.758 -1.201 -1.688 1.00 0.00 O ATOM 1155 CB THR A 82 -12.247 0.732 0.661 1.00 0.00 C ATOM 1156 OG1 THR A 82 -11.993 1.675 -0.372 1.00 0.00 O ATOM 1157 CG2 THR A 82 -12.051 1.410 2.015 1.00 0.00 C ATOM 0 H THR A 82 -9.872 0.480 -0.794 1.00 0.00 H new ATOM 0 HA THR A 82 -11.171 -0.988 1.475 1.00 0.00 H new ATOM 0 HB THR A 82 -13.269 0.364 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.464 1.251 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.743 2.247 2.106 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.243 0.692 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.027 1.775 2.094 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.342 -2.533 -0.032 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.920 -3.538 -0.986 1.00 0.00 C ATOM 1167 C LEU A 83 -14.218 -4.108 -0.412 1.00 0.00 C ATOM 1168 O LEU A 83 -14.238 -5.218 0.064 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.929 -4.686 -1.226 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.377 -5.545 -2.430 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.509 -6.487 -2.006 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -12.886 -4.644 -3.559 1.00 0.00 C ATOM 0 H LEU A 83 -12.407 -2.780 0.956 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.121 -3.038 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.933 -4.282 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.861 -5.308 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.522 -6.124 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.820 -7.089 -2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -13.158 -7.142 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.355 -5.901 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.199 -5.259 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.733 -4.058 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.088 -3.972 -3.876 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.284 -3.338 -0.454 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.621 -3.782 0.071 1.00 0.00 C ATOM 1186 C ASP A 84 -17.293 -2.597 0.751 1.00 0.00 C ATOM 1187 O ASP A 84 -18.496 -2.558 0.920 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.514 -4.948 1.063 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.452 -6.274 0.297 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.301 -6.483 -0.554 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.558 -7.054 0.573 1.00 0.00 O ATOM 0 H ASP A 84 -15.282 -2.394 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.209 -4.139 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.624 -4.832 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.371 -4.945 1.736 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.512 -1.638 1.164 1.00 0.00 N ATOM 1197 CA GLY A 85 -17.079 -0.457 1.861 1.00 0.00 C ATOM 1198 C GLY A 85 -16.257 -0.168 3.122 1.00 0.00 C ATOM 1199 O GLY A 85 -16.552 0.749 3.861 1.00 0.00 O ATOM 0 H GLY A 85 -15.499 -1.624 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.068 0.409 1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.120 -0.642 2.126 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.219 -0.933 3.377 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.395 -0.674 4.583 1.00 0.00 C ATOM 1205 C ASP A 86 -12.932 -0.630 4.155 1.00 0.00 C ATOM 1206 O ASP A 86 -12.616 -0.882 3.011 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.605 -1.794 5.605 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.795 -1.184 6.993 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -15.755 -0.450 7.170 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -13.979 -1.460 7.857 1.00 0.00 O ATOM 0 H ASP A 86 -14.916 -1.718 2.801 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.682 0.272 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.477 -2.389 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.747 -2.467 5.605 1.00 0.00 H new ATOM 1215 N ASN A 87 -12.033 -0.312 5.041 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.607 -0.258 4.632 1.00 0.00 C ATOM 1217 C ASN A 87 -9.850 -1.437 5.237 1.00 0.00 C ATOM 1218 O ASN A 87 -10.264 -2.010 6.226 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.986 1.055 5.113 1.00 0.00 C ATOM 1220 CG ASN A 87 -10.987 2.195 4.910 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -12.122 2.107 5.336 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -10.610 3.271 4.274 1.00 0.00 N ATOM 0 H ASN A 87 -12.221 -0.090 6.019 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.542 -0.312 3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.715 0.978 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.068 1.260 4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.268 4.038 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.658 3.345 3.917 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.745 -1.812 4.650 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.981 -2.963 5.203 1.00 0.00 C ATOM 1231 C VAL A 88 -7.421 -2.579 6.584 1.00 0.00 C ATOM 1232 O VAL A 88 -7.487 -1.434 6.988 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.848 -3.351 4.240 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.740 -4.104 4.986 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.422 -4.270 3.164 1.00 0.00 C ATOM 0 H VAL A 88 -8.343 -1.375 3.820 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.639 -3.825 5.316 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.428 -2.447 3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.947 -4.370 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.333 -3.468 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.151 -5.010 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.631 -4.556 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.836 -5.164 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.209 -3.747 2.621 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.904 -3.528 7.327 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.385 -3.213 8.697 1.00 0.00 C ATOM 1247 C ASN A 89 -4.961 -2.646 8.645 1.00 0.00 C ATOM 1248 O ASN A 89 -4.218 -2.725 9.603 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.395 -4.488 9.543 1.00 0.00 C ATOM 1250 CG ASN A 89 -7.717 -5.230 9.327 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -8.733 -4.617 9.065 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -7.747 -6.531 9.427 1.00 0.00 N ATOM 0 H ASN A 89 -6.819 -4.505 7.046 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.032 -2.456 9.141 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.557 -5.128 9.267 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.273 -4.239 10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.623 -7.033 9.285 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.894 -7.045 9.647 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.581 -2.063 7.549 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.208 -1.478 7.448 1.00 0.00 C ATOM 1261 C GLY A 90 -3.224 -0.276 6.495 1.00 0.00 C ATOM 1262 O GLY A 90 -2.193 0.181 6.042 1.00 0.00 O ATOM 0 H GLY A 90 -5.158 -1.963 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.862 -1.168 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.508 -2.231 7.087 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.386 0.219 6.158 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.467 1.362 5.206 1.00 0.00 C ATOM 1268 C PHE A 91 -4.847 2.672 5.880 1.00 0.00 C ATOM 1269 O PHE A 91 -4.215 3.671 5.612 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.470 1.027 4.132 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.689 0.580 2.945 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.321 -0.756 2.826 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.303 1.505 1.981 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.571 -1.171 1.735 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.550 1.101 0.888 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.180 -0.241 0.757 1.00 0.00 C ATOM 0 H PHE A 91 -5.284 -0.121 6.503 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.475 1.510 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.149 0.243 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.082 1.896 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.618 -1.469 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.590 2.541 2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.288 -2.209 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.251 1.821 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.596 -0.562 -0.093 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.821 2.668 6.756 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.204 3.899 7.444 1.00 0.00 C ATOM 1288 C PRO A 92 -5.115 4.246 8.455 1.00 0.00 C ATOM 1289 O PRO A 92 -5.281 5.104 9.300 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.543 3.562 8.102 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.599 2.023 8.204 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.598 1.480 7.166 1.00 0.00 C ATOM 0 HA PRO A 92 -6.309 4.769 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.618 4.020 9.088 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.375 3.943 7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.335 1.691 9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.605 1.657 8.001 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.955 0.713 7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.111 1.027 6.317 1.00 0.00 H new ATOM 1300 N LYS A 93 -3.980 3.598 8.345 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.861 3.895 9.256 1.00 0.00 C ATOM 1302 C LYS A 93 -1.955 4.886 8.546 1.00 0.00 C ATOM 1303 O LYS A 93 -2.099 5.143 7.355 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.103 2.600 9.562 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.297 2.757 10.853 1.00 0.00 C ATOM 1306 CD LYS A 93 -2.239 3.115 12.005 1.00 0.00 C ATOM 1307 CE LYS A 93 -2.011 2.151 13.171 1.00 0.00 C ATOM 1308 NZ LYS A 93 -2.621 0.829 12.853 1.00 0.00 N ATOM 0 H LYS A 93 -3.792 2.872 7.653 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.214 4.315 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.806 1.773 9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.436 2.355 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.767 1.832 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.543 3.535 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.062 4.141 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.275 3.060 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.943 2.035 13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.451 2.556 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.465 0.175 13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.642 0.947 12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.182 0.442 11.994 1.00 0.00 H new ATOM 1322 N THR A 94 -1.047 5.468 9.257 1.00 0.00 N ATOM 1323 CA THR A 94 -0.162 6.458 8.621 1.00 0.00 C ATOM 1324 C THR A 94 1.283 6.019 8.727 1.00 0.00 C ATOM 1325 O THR A 94 1.778 5.704 9.791 1.00 0.00 O ATOM 1326 CB THR A 94 -0.333 7.802 9.319 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.717 8.111 9.404 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.392 8.879 8.522 1.00 0.00 C ATOM 0 H THR A 94 -0.880 5.301 10.249 1.00 0.00 H new ATOM 0 HA THR A 94 -0.427 6.546 7.567 1.00 0.00 H new ATOM 0 HB THR A 94 0.088 7.756 10.323 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.832 8.974 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.272 9.842 9.018 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.452 8.633 8.459 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.028 8.934 7.518 1.00 0.00 H new ATOM 1336 N VAL A 95 1.974 6.033 7.631 1.00 0.00 N ATOM 1337 CA VAL A 95 3.407 5.654 7.679 1.00 0.00 C ATOM 1338 C VAL A 95 4.210 6.951 7.739 1.00 0.00 C ATOM 1339 O VAL A 95 3.720 7.998 7.366 1.00 0.00 O ATOM 1340 CB VAL A 95 3.785 4.808 6.455 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.287 4.864 6.209 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.409 3.354 6.717 1.00 0.00 C ATOM 0 H VAL A 95 1.615 6.288 6.711 1.00 0.00 H new ATOM 0 HA VAL A 95 3.622 5.041 8.554 1.00 0.00 H new ATOM 0 HB VAL A 95 3.255 5.201 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.536 4.258 5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.588 5.896 6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.813 4.477 7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.675 2.748 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.947 2.991 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.336 3.282 6.895 1.00 0.00 H new ATOM 1352 N THR A 96 5.401 6.929 8.268 1.00 0.00 N ATOM 1353 CA THR A 96 6.140 8.215 8.401 1.00 0.00 C ATOM 1354 C THR A 96 7.496 8.217 7.688 1.00 0.00 C ATOM 1355 O THR A 96 8.259 7.274 7.739 1.00 0.00 O ATOM 1356 CB THR A 96 6.366 8.499 9.888 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.114 8.513 10.560 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.050 9.855 10.054 1.00 0.00 C ATOM 0 H THR A 96 5.886 6.098 8.607 1.00 0.00 H new ATOM 0 HA THR A 96 5.530 8.984 7.927 1.00 0.00 H new ATOM 0 HB THR A 96 7.000 7.722 10.314 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.256 8.693 11.513 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.210 10.055 11.114 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.010 9.844 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.419 10.635 9.629 1.00 0.00 H new ATOM 1366 N VAL A 97 7.796 9.331 7.076 1.00 0.00 N ATOM 1367 CA VAL A 97 9.101 9.536 6.388 1.00 0.00 C ATOM 1368 C VAL A 97 9.674 10.861 6.908 1.00 0.00 C ATOM 1369 O VAL A 97 8.975 11.852 6.989 1.00 0.00 O ATOM 1370 CB VAL A 97 8.901 9.603 4.866 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.035 10.383 4.238 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.949 8.202 4.269 1.00 0.00 C ATOM 0 H VAL A 97 7.168 10.133 7.024 1.00 0.00 H new ATOM 0 HA VAL A 97 9.781 8.709 6.592 1.00 0.00 H new ATOM 0 HB VAL A 97 7.938 10.076 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.891 10.429 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.051 11.394 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.982 9.889 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.806 8.261 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.917 7.748 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.158 7.593 4.707 1.00 0.00 H new ATOM 1382 N LYS A 98 10.920 10.887 7.289 1.00 0.00 N ATOM 1383 CA LYS A 98 11.485 12.158 7.834 1.00 0.00 C ATOM 1384 C LYS A 98 12.761 12.592 7.093 1.00 0.00 C ATOM 1385 O LYS A 98 12.766 13.630 6.461 1.00 0.00 O ATOM 1386 CB LYS A 98 11.790 11.982 9.323 1.00 0.00 C ATOM 1387 CG LYS A 98 10.667 12.609 10.153 1.00 0.00 C ATOM 1388 CD LYS A 98 10.371 11.721 11.363 1.00 0.00 C ATOM 1389 CE LYS A 98 10.969 12.355 12.620 1.00 0.00 C ATOM 1390 NZ LYS A 98 10.625 13.806 12.656 1.00 0.00 N ATOM 0 H LYS A 98 11.565 10.098 7.249 1.00 0.00 H new ATOM 0 HA LYS A 98 10.740 12.941 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.886 10.923 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.743 12.451 9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.957 13.607 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.770 12.723 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.295 11.597 11.482 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.791 10.727 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.584 11.857 13.510 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.051 12.227 12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.456 14.098 13.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.412 14.359 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.767 13.973 12.093 1.00 0.00 H new ATOM 1404 N PRO A 99 13.819 11.819 7.204 1.00 0.00 N ATOM 1405 CA PRO A 99 15.100 12.167 6.562 1.00 0.00 C ATOM 1406 C PRO A 99 15.056 11.944 5.048 1.00 0.00 C ATOM 1407 O PRO A 99 15.656 11.023 4.530 1.00 0.00 O ATOM 1408 CB PRO A 99 16.109 11.228 7.229 1.00 0.00 C ATOM 1409 CG PRO A 99 15.296 10.041 7.789 1.00 0.00 C ATOM 1410 CD PRO A 99 13.850 10.542 7.956 1.00 0.00 C ATOM 0 HA PRO A 99 15.352 13.220 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.853 10.884 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.648 11.740 8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.335 9.189 7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.704 9.707 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.132 9.826 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.599 10.692 9.006 1.00 0.00 H new ATOM 1418 N ALA A 100 14.370 12.793 4.329 1.00 0.00 N ATOM 1419 CA ALA A 100 14.323 12.631 2.847 1.00 0.00 C ATOM 1420 C ALA A 100 15.621 13.178 2.234 1.00 0.00 C ATOM 1421 O ALA A 100 16.250 12.512 1.437 1.00 0.00 O ATOM 1422 CB ALA A 100 13.117 13.383 2.267 1.00 0.00 C ATOM 0 H ALA A 100 13.845 13.585 4.700 1.00 0.00 H new ATOM 0 HA ALA A 100 14.222 11.573 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.095 13.256 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.198 12.985 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.200 14.443 2.506 1.00 0.00 H new TER 1428 ALA A 100