USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 420 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 Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -1.08 USER MOD Single : A 17 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.064) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.295) USER MOD Single : A 25 SER OG : rot -144:sc= -0.945 USER MOD Single : A 28 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= -1.45 (180deg=-1.71) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= -0.0396 (180deg=-0.525) USER MOD Single : A 42 THR OG1 : rot 170:sc= -1.08 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= -0.227 (180deg=-0.768) USER MOD Single : A 52 SER OG : rot 77:sc= -0.277 USER MOD Single : A 59 GLN : amide:sc= -0.0599 K(o=-0.06,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.268 -11.762 -4.926 1.00 0.00 N ATOM 2 CA GLN A 11 -10.243 -12.517 -4.159 1.00 0.00 C ATOM 3 C GLN A 11 -10.172 -12.034 -2.714 1.00 0.00 C ATOM 4 O GLN A 11 -10.542 -10.900 -2.408 1.00 0.00 O ATOM 5 CB GLN A 11 -8.888 -12.334 -4.844 1.00 0.00 C ATOM 6 CG GLN A 11 -7.828 -13.312 -4.365 1.00 0.00 C ATOM 7 CD GLN A 11 -6.547 -13.223 -5.171 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.529 -13.523 -6.365 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.465 -12.812 -4.520 1.00 0.00 N ATOM 0 HA GLN A 11 -10.515 -13.572 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.016 -12.448 -5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.537 -11.317 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.607 -13.118 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.221 -14.327 -4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.525 -12.574 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.574 -12.735 -5.010 1.00 0.00 H new ATOM 18 N ALA A 12 -9.694 -12.903 -1.828 1.00 0.00 N ATOM 19 CA ALA A 12 -9.574 -12.563 -0.416 1.00 0.00 C ATOM 20 C ALA A 12 -8.296 -11.777 -0.145 1.00 0.00 C ATOM 21 O ALA A 12 -7.201 -12.207 -0.507 1.00 0.00 O ATOM 22 CB ALA A 12 -9.608 -13.827 0.433 1.00 0.00 C ATOM 0 H ALA A 12 -9.384 -13.846 -2.063 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.420 -11.931 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.518 -13.561 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.551 -14.349 0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.780 -14.477 0.151 1.00 0.00 H new ATOM 28 N CYS A 13 -8.445 -10.621 0.492 1.00 0.00 N ATOM 29 CA CYS A 13 -7.306 -9.767 0.812 1.00 0.00 C ATOM 30 C CYS A 13 -7.203 -9.549 2.319 1.00 0.00 C ATOM 31 O CYS A 13 -8.213 -9.512 3.023 1.00 0.00 O ATOM 32 CB CYS A 13 -7.434 -8.426 0.077 1.00 0.00 C ATOM 33 SG CYS A 13 -6.470 -7.056 0.801 1.00 0.00 S ATOM 0 H CYS A 13 -9.346 -10.253 0.798 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.393 -10.262 0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.120 -8.564 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.485 -8.139 0.056 1.00 0.00 H new ATOM 38 N THR A 14 -5.976 -9.404 2.807 1.00 0.00 N ATOM 39 CA THR A 14 -5.737 -9.187 4.228 1.00 0.00 C ATOM 40 C THR A 14 -5.517 -7.706 4.523 1.00 0.00 C ATOM 41 O THR A 14 -4.547 -7.108 4.060 1.00 0.00 O ATOM 42 CB THR A 14 -4.524 -9.996 4.690 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.343 -9.875 6.090 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.233 -9.574 4.023 1.00 0.00 C ATOM 0 H THR A 14 -5.130 -9.433 2.238 1.00 0.00 H new ATOM 0 HA THR A 14 -6.619 -9.521 4.775 1.00 0.00 H new ATOM 0 HB THR A 14 -4.741 -11.026 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.669 -10.520 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.413 -10.188 4.396 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.322 -9.703 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.033 -8.526 4.248 1.00 0.00 H new ATOM 52 N LEU A 15 -6.427 -7.122 5.297 1.00 0.00 N ATOM 53 CA LEU A 15 -6.334 -5.709 5.657 1.00 0.00 C ATOM 54 C LEU A 15 -4.995 -5.407 6.328 1.00 0.00 C ATOM 55 O LEU A 15 -4.318 -6.313 6.812 1.00 0.00 O ATOM 56 CB LEU A 15 -7.484 -5.317 6.588 1.00 0.00 C ATOM 57 CG LEU A 15 -7.890 -6.382 7.610 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.168 -5.749 8.965 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.109 -7.153 7.122 1.00 0.00 C ATOM 0 H LEU A 15 -7.237 -7.604 5.687 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.404 -5.122 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.203 -4.411 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.354 -5.070 5.980 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.061 -7.081 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.455 -6.523 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.271 -5.243 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.978 -5.026 8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.383 -7.906 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.942 -6.464 6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.876 -7.642 6.176 1.00 0.00 H new ATOM 71 N PRO A 16 -4.594 -4.124 6.366 1.00 0.00 N ATOM 72 CA PRO A 16 -3.331 -3.707 6.983 1.00 0.00 C ATOM 73 C PRO A 16 -3.171 -4.257 8.397 1.00 0.00 C ATOM 74 O PRO A 16 -2.054 -4.463 8.870 1.00 0.00 O ATOM 75 CB PRO A 16 -3.419 -2.171 7.008 1.00 0.00 C ATOM 76 CG PRO A 16 -4.833 -1.841 6.660 1.00 0.00 C ATOM 77 CD PRO A 16 -5.331 -2.979 5.819 1.00 0.00 C ATOM 0 HA PRO A 16 -2.469 -4.081 6.430 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.156 -1.780 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.726 -1.728 6.293 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.439 -1.726 7.559 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.890 -0.899 6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.409 -3.109 5.910 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.117 -2.826 4.761 1.00 0.00 H new ATOM 85 N ASN A 17 -4.295 -4.496 9.065 1.00 0.00 N ATOM 86 CA ASN A 17 -4.280 -5.028 10.423 1.00 0.00 C ATOM 87 C ASN A 17 -4.176 -6.553 10.416 1.00 0.00 C ATOM 88 O ASN A 17 -3.889 -7.168 11.444 1.00 0.00 O ATOM 89 CB ASN A 17 -5.537 -4.592 11.178 1.00 0.00 C ATOM 90 CG ASN A 17 -5.236 -4.156 12.599 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.873 -4.612 13.549 1.00 0.00 O ATOM 92 ND2 ASN A 17 -4.262 -3.268 12.750 1.00 0.00 N ATOM 0 H ASN A 17 -5.228 -4.330 8.688 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.402 -4.628 10.931 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.013 -3.771 10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.250 -5.416 11.197 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.015 -2.936 13.682 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.761 -2.917 11.934 1.00 0.00 H new ATOM 99 N ASN A 18 -4.416 -7.160 9.253 1.00 0.00 N ATOM 100 CA ASN A 18 -4.349 -8.611 9.115 1.00 0.00 C ATOM 101 C ASN A 18 -5.512 -9.282 9.837 1.00 0.00 C ATOM 102 O ASN A 18 -5.384 -9.704 10.987 1.00 0.00 O ATOM 103 CB ASN A 18 -3.021 -9.143 9.658 1.00 0.00 C ATOM 104 CG ASN A 18 -2.454 -10.263 8.807 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.619 -10.033 7.932 1.00 0.00 O ATOM 106 ND2 ASN A 18 -2.909 -11.486 9.059 1.00 0.00 N ATOM 0 H ASN A 18 -4.659 -6.667 8.394 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.417 -8.849 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.299 -8.328 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.166 -9.503 10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.566 -12.279 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.601 -11.631 9.794 1.00 0.00 H new ATOM 113 N ASP A 19 -6.648 -9.378 9.154 1.00 0.00 N ATOM 114 CA ASP A 19 -7.836 -9.999 9.727 1.00 0.00 C ATOM 115 C ASP A 19 -8.702 -10.631 8.640 1.00 0.00 C ATOM 116 O ASP A 19 -9.906 -10.814 8.822 1.00 0.00 O ATOM 117 CB ASP A 19 -8.650 -8.966 10.509 1.00 0.00 C ATOM 118 CG ASP A 19 -9.219 -9.533 11.795 1.00 0.00 C ATOM 119 OD1 ASP A 19 -10.274 -10.199 11.735 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.612 -9.307 12.862 1.00 0.00 O ATOM 0 H ASP A 19 -6.771 -9.033 8.202 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.510 -10.786 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.018 -8.109 10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.465 -8.601 9.884 1.00 0.00 H new ATOM 125 N LYS A 20 -8.081 -10.963 7.511 1.00 0.00 N ATOM 126 CA LYS A 20 -8.793 -11.575 6.394 1.00 0.00 C ATOM 127 C LYS A 20 -9.866 -10.636 5.850 1.00 0.00 C ATOM 128 O LYS A 20 -10.546 -9.946 6.607 1.00 0.00 O ATOM 129 CB LYS A 20 -9.430 -12.896 6.828 1.00 0.00 C ATOM 130 CG LYS A 20 -8.425 -13.920 7.331 1.00 0.00 C ATOM 131 CD LYS A 20 -8.221 -13.813 8.835 1.00 0.00 C ATOM 132 CE LYS A 20 -6.783 -13.459 9.182 1.00 0.00 C ATOM 133 NZ LYS A 20 -6.033 -14.632 9.708 1.00 0.00 N ATOM 0 H LYS A 20 -7.085 -10.818 7.346 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.071 -11.771 5.602 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.158 -12.697 7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.977 -13.320 5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.770 -14.923 7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.472 -13.775 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.891 -13.055 9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.487 -14.759 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.280 -13.075 8.295 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.775 -12.661 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.058 -14.348 9.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.498 -14.984 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.018 -15.385 8.991 1.00 0.00 H new ATOM 147 N GLY A 21 -10.008 -10.615 4.529 1.00 0.00 N ATOM 148 CA GLY A 21 -10.999 -9.758 3.904 1.00 0.00 C ATOM 149 C GLY A 21 -11.167 -10.046 2.424 1.00 0.00 C ATOM 150 O GLY A 21 -10.735 -11.088 1.932 1.00 0.00 O ATOM 0 H GLY A 21 -9.455 -11.175 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.957 -9.889 4.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.709 -8.716 4.037 1.00 0.00 H new ATOM 154 N THR A 22 -11.799 -9.117 1.715 1.00 0.00 N ATOM 155 CA THR A 22 -12.029 -9.266 0.282 1.00 0.00 C ATOM 156 C THR A 22 -11.397 -8.112 -0.489 1.00 0.00 C ATOM 157 O THR A 22 -11.343 -6.986 0.001 1.00 0.00 O ATOM 158 CB THR A 22 -13.527 -9.327 -0.012 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.241 -9.806 1.115 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.872 -10.219 -1.187 1.00 0.00 C ATOM 0 H THR A 22 -12.162 -8.250 2.111 1.00 0.00 H new ATOM 0 HA THR A 22 -11.564 -10.198 -0.041 1.00 0.00 H new ATOM 0 HB THR A 22 -13.814 -8.304 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.198 -9.836 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.951 -10.217 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.377 -9.847 -2.084 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.537 -11.236 -0.983 1.00 0.00 H new ATOM 168 N CYS A 23 -10.913 -8.396 -1.695 1.00 0.00 N ATOM 169 CA CYS A 23 -10.283 -7.371 -2.519 1.00 0.00 C ATOM 170 C CYS A 23 -11.039 -7.172 -3.829 1.00 0.00 C ATOM 171 O CYS A 23 -11.202 -8.105 -4.615 1.00 0.00 O ATOM 172 CB CYS A 23 -8.828 -7.749 -2.810 1.00 0.00 C ATOM 173 SG CYS A 23 -7.632 -6.421 -2.450 1.00 0.00 S ATOM 0 H CYS A 23 -10.945 -9.322 -2.121 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.309 -6.433 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.567 -8.629 -2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.739 -8.030 -3.859 1.00 0.00 H new ATOM 178 N LYS A 24 -11.491 -5.943 -4.057 1.00 0.00 N ATOM 179 CA LYS A 24 -12.224 -5.604 -5.271 1.00 0.00 C ATOM 180 C LYS A 24 -11.895 -4.182 -5.712 1.00 0.00 C ATOM 181 O LYS A 24 -11.272 -3.422 -4.971 1.00 0.00 O ATOM 182 CB LYS A 24 -13.730 -5.751 -5.046 1.00 0.00 C ATOM 183 CG LYS A 24 -14.235 -5.038 -3.803 1.00 0.00 C ATOM 184 CD LYS A 24 -15.685 -5.393 -3.508 1.00 0.00 C ATOM 185 CE LYS A 24 -15.799 -6.340 -2.324 1.00 0.00 C ATOM 186 NZ LYS A 24 -15.424 -7.734 -2.690 1.00 0.00 N ATOM 0 H LYS A 24 -11.362 -5.162 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.920 -6.293 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.258 -5.362 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.975 -6.810 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.612 -5.307 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.143 -3.960 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.249 -4.483 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.134 -5.854 -4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.155 -5.991 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.821 -6.326 -1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.892 -8.401 -2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.725 -7.929 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.393 -7.847 -2.616 1.00 0.00 H new ATOM 200 N SER A 25 -12.317 -3.824 -6.920 1.00 0.00 N ATOM 201 CA SER A 25 -12.065 -2.490 -7.449 1.00 0.00 C ATOM 202 C SER A 25 -12.673 -1.425 -6.544 1.00 0.00 C ATOM 203 O SER A 25 -13.353 -1.742 -5.567 1.00 0.00 O ATOM 204 CB SER A 25 -12.637 -2.361 -8.863 1.00 0.00 C ATOM 205 OG SER A 25 -13.725 -3.247 -9.055 1.00 0.00 O ATOM 0 H SER A 25 -12.834 -4.438 -7.549 1.00 0.00 H new ATOM 0 HA SER A 25 -10.986 -2.339 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.964 -1.336 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.858 -2.573 -9.595 1.00 0.00 H new ATOM 0 HG SER A 25 -13.712 -3.586 -9.974 1.00 0.00 H new ATOM 211 N LEU A 26 -12.429 -0.162 -6.873 1.00 0.00 N ATOM 212 CA LEU A 26 -12.956 0.947 -6.087 1.00 0.00 C ATOM 213 C LEU A 26 -14.277 1.448 -6.666 1.00 0.00 C ATOM 214 O LEU A 26 -14.580 2.640 -6.604 1.00 0.00 O ATOM 215 CB LEU A 26 -11.942 2.091 -6.034 1.00 0.00 C ATOM 216 CG LEU A 26 -11.694 2.800 -7.368 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.423 4.135 -7.412 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.202 2.998 -7.600 1.00 0.00 C ATOM 0 H LEU A 26 -11.870 0.120 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.138 0.586 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.285 2.827 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.994 1.699 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.086 2.170 -8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.233 4.622 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.494 3.969 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.065 4.772 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.046 3.503 -8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.786 3.604 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.705 2.028 -7.618 1.00 0.00 H new ATOM 230 N LEU A 27 -15.058 0.531 -7.229 1.00 0.00 N ATOM 231 CA LEU A 27 -16.345 0.881 -7.818 1.00 0.00 C ATOM 232 C LEU A 27 -17.390 -0.185 -7.512 1.00 0.00 C ATOM 233 O LEU A 27 -18.246 -0.488 -8.345 1.00 0.00 O ATOM 234 CB LEU A 27 -16.207 1.057 -9.333 1.00 0.00 C ATOM 235 CG LEU A 27 -15.249 0.079 -10.015 1.00 0.00 C ATOM 236 CD1 LEU A 27 -15.771 -1.344 -9.902 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.048 0.462 -11.475 1.00 0.00 C ATOM 0 H LEU A 27 -14.822 -0.459 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.673 1.823 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.193 0.952 -9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.869 2.073 -9.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.284 0.131 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.077 -2.026 -10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.864 -1.615 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.747 -1.413 -10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.364 -0.244 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.007 0.438 -11.993 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.629 1.467 -11.533 1.00 0.00 H new ATOM 249 N GLN A 28 -17.317 -0.752 -6.313 1.00 0.00 N ATOM 250 CA GLN A 28 -18.258 -1.786 -5.897 1.00 0.00 C ATOM 251 C GLN A 28 -18.435 -1.776 -4.382 1.00 0.00 C ATOM 252 O GLN A 28 -19.555 -1.853 -3.876 1.00 0.00 O ATOM 253 CB GLN A 28 -17.774 -3.162 -6.356 1.00 0.00 C ATOM 254 CG GLN A 28 -17.839 -3.359 -7.861 1.00 0.00 C ATOM 255 CD GLN A 28 -18.197 -4.780 -8.249 1.00 0.00 C ATOM 256 OE1 GLN A 28 -18.367 -5.646 -7.391 1.00 0.00 O ATOM 257 NE2 GLN A 28 -18.314 -5.028 -9.549 1.00 0.00 N ATOM 0 H GLN A 28 -16.616 -0.513 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.221 -1.576 -6.362 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.746 -3.306 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.376 -3.930 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.576 -2.675 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.876 -3.098 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.164 -4.280 -10.226 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -18.553 -5.966 -9.870 1.00 0.00 H new ATOM 266 N CYS A 29 -17.321 -1.678 -3.665 1.00 0.00 N ATOM 267 CA CYS A 29 -17.347 -1.654 -2.207 1.00 0.00 C ATOM 268 C CYS A 29 -18.234 -0.523 -1.695 1.00 0.00 C ATOM 269 O CYS A 29 -17.969 0.650 -1.952 1.00 0.00 O ATOM 270 CB CYS A 29 -15.928 -1.494 -1.659 1.00 0.00 C ATOM 271 SG CYS A 29 -15.073 -3.069 -1.336 1.00 0.00 S ATOM 0 H CYS A 29 -16.387 -1.614 -4.070 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.762 -2.600 -1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.340 -0.913 -2.369 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.970 -0.920 -0.734 1.00 0.00 H new ATOM 276 N ASP A 30 -19.290 -0.886 -0.972 1.00 0.00 N ATOM 277 CA ASP A 30 -20.218 0.099 -0.426 1.00 0.00 C ATOM 278 C ASP A 30 -19.489 1.107 0.454 1.00 0.00 C ATOM 279 O ASP A 30 -19.781 2.303 0.419 1.00 0.00 O ATOM 280 CB ASP A 30 -21.318 -0.597 0.379 1.00 0.00 C ATOM 281 CG ASP A 30 -22.558 -0.865 -0.449 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.597 -1.905 -1.140 1.00 0.00 O ATOM 283 OD2 ASP A 30 -23.492 -0.038 -0.405 1.00 0.00 O ATOM 0 H ASP A 30 -19.524 -1.854 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.671 0.635 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.936 -1.539 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.584 0.021 1.236 1.00 0.00 H new ATOM 288 N VAL A 31 -18.537 0.617 1.238 1.00 0.00 N ATOM 289 CA VAL A 31 -17.762 1.475 2.125 1.00 0.00 C ATOM 290 C VAL A 31 -16.937 2.478 1.331 1.00 0.00 C ATOM 291 O VAL A 31 -16.801 3.635 1.721 1.00 0.00 O ATOM 292 CB VAL A 31 -16.825 0.653 3.032 1.00 0.00 C ATOM 293 CG1 VAL A 31 -17.628 -0.135 4.054 1.00 0.00 C ATOM 294 CG2 VAL A 31 -15.951 -0.274 2.201 1.00 0.00 C ATOM 0 H VAL A 31 -18.283 -0.370 1.278 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.476 2.010 2.751 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.173 1.343 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.950 -0.709 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.205 0.553 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.306 -0.815 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.297 -0.845 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.582 -0.958 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.346 0.316 1.512 1.00 0.00 H new ATOM 304 N ALA A 32 -16.390 2.028 0.210 1.00 0.00 N ATOM 305 CA ALA A 32 -15.580 2.889 -0.641 1.00 0.00 C ATOM 306 C ALA A 32 -16.411 4.040 -1.194 1.00 0.00 C ATOM 307 O ALA A 32 -15.924 5.161 -1.331 1.00 0.00 O ATOM 308 CB ALA A 32 -14.965 2.084 -1.776 1.00 0.00 C ATOM 0 H ALA A 32 -16.492 1.072 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.776 3.309 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.363 2.741 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.334 1.297 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.758 1.636 -2.376 1.00 0.00 H new ATOM 314 N SER A 33 -17.668 3.752 -1.511 1.00 0.00 N ATOM 315 CA SER A 33 -18.572 4.761 -2.053 1.00 0.00 C ATOM 316 C SER A 33 -18.848 5.858 -1.032 1.00 0.00 C ATOM 317 O SER A 33 -18.844 7.043 -1.366 1.00 0.00 O ATOM 318 CB SER A 33 -19.887 4.114 -2.492 1.00 0.00 C ATOM 319 OG SER A 33 -19.682 3.227 -3.579 1.00 0.00 O ATOM 0 H SER A 33 -18.085 2.828 -1.402 1.00 0.00 H new ATOM 0 HA SER A 33 -18.089 5.214 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.327 3.572 -1.655 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.598 4.888 -2.780 1.00 0.00 H new ATOM 0 HG SER A 33 -20.537 2.825 -3.839 1.00 0.00 H new ATOM 325 N LYS A 34 -19.092 5.458 0.209 1.00 0.00 N ATOM 326 CA LYS A 34 -19.375 6.415 1.273 1.00 0.00 C ATOM 327 C LYS A 34 -18.181 7.335 1.512 1.00 0.00 C ATOM 328 O LYS A 34 -18.345 8.499 1.879 1.00 0.00 O ATOM 329 CB LYS A 34 -19.763 5.688 2.567 1.00 0.00 C ATOM 330 CG LYS A 34 -18.611 4.968 3.252 1.00 0.00 C ATOM 331 CD LYS A 34 -18.740 5.026 4.766 1.00 0.00 C ATOM 332 CE LYS A 34 -19.542 3.853 5.306 1.00 0.00 C ATOM 333 NZ LYS A 34 -20.651 4.299 6.192 1.00 0.00 N ATOM 0 H LYS A 34 -19.100 4.482 0.504 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.218 7.029 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.188 6.411 3.262 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.546 4.964 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.586 3.928 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.666 5.419 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.747 5.026 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -19.222 5.960 5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -19.951 3.279 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.881 3.186 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -21.173 3.469 6.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -20.260 4.825 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -21.296 4.915 5.657 1.00 0.00 H new ATOM 347 N ILE A 35 -16.978 6.809 1.297 1.00 0.00 N ATOM 348 CA ILE A 35 -15.760 7.589 1.488 1.00 0.00 C ATOM 349 C ILE A 35 -15.608 8.646 0.399 1.00 0.00 C ATOM 350 O ILE A 35 -15.137 9.753 0.655 1.00 0.00 O ATOM 351 CB ILE A 35 -14.507 6.689 1.499 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.660 5.582 2.543 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.255 7.514 1.774 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.891 4.322 2.205 1.00 0.00 C ATOM 0 H ILE A 35 -16.821 5.849 0.991 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.849 8.080 2.457 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.403 6.229 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -14.322 5.956 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.717 5.336 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.382 6.861 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.139 8.270 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.347 8.002 2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.045 3.580 2.989 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -14.245 3.924 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.829 4.554 2.129 1.00 0.00 H new ATOM 366 N ILE A 36 -16.014 8.298 -0.817 1.00 0.00 N ATOM 367 CA ILE A 36 -15.925 9.221 -1.943 1.00 0.00 C ATOM 368 C ILE A 36 -16.874 10.400 -1.759 1.00 0.00 C ATOM 369 O ILE A 36 -16.570 11.524 -2.157 1.00 0.00 O ATOM 370 CB ILE A 36 -16.244 8.513 -3.279 1.00 0.00 C ATOM 371 CG1 ILE A 36 -15.251 7.373 -3.524 1.00 0.00 C ATOM 372 CG2 ILE A 36 -16.216 9.504 -4.435 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.843 7.845 -3.820 1.00 0.00 C ATOM 0 H ILE A 36 -16.407 7.386 -1.048 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.899 9.587 -1.975 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.248 8.094 -3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.231 6.726 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -15.605 6.768 -4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.443 8.984 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.959 10.283 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -15.226 9.955 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.197 6.982 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.849 8.468 -4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.469 8.425 -2.976 1.00 0.00 H new ATOM 385 N SER A 37 -18.027 10.133 -1.153 1.00 0.00 N ATOM 386 CA SER A 37 -19.024 11.171 -0.915 1.00 0.00 C ATOM 387 C SER A 37 -18.699 11.970 0.345 1.00 0.00 C ATOM 388 O SER A 37 -19.112 13.121 0.485 1.00 0.00 O ATOM 389 CB SER A 37 -20.417 10.552 -0.793 1.00 0.00 C ATOM 390 OG SER A 37 -21.061 10.488 -2.053 1.00 0.00 O ATOM 0 H SER A 37 -18.294 9.207 -0.818 1.00 0.00 H new ATOM 0 HA SER A 37 -19.007 11.852 -1.766 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.337 9.550 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.021 11.141 -0.103 1.00 0.00 H new ATOM 0 HG SER A 37 -21.949 10.087 -1.947 1.00 0.00 H new ATOM 396 N LYS A 38 -17.957 11.353 1.261 1.00 0.00 N ATOM 397 CA LYS A 38 -17.582 12.009 2.510 1.00 0.00 C ATOM 398 C LYS A 38 -16.250 12.736 2.369 1.00 0.00 C ATOM 399 O LYS A 38 -16.130 13.911 2.715 1.00 0.00 O ATOM 400 CB LYS A 38 -17.498 10.982 3.640 1.00 0.00 C ATOM 401 CG LYS A 38 -18.757 10.902 4.487 1.00 0.00 C ATOM 402 CD LYS A 38 -18.437 10.541 5.928 1.00 0.00 C ATOM 403 CE LYS A 38 -17.745 9.191 6.025 1.00 0.00 C ATOM 404 NZ LYS A 38 -18.709 8.062 5.913 1.00 0.00 N ATOM 0 H LYS A 38 -17.604 10.401 1.162 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.350 12.745 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.295 10.000 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.653 11.230 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.278 11.859 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.433 10.158 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.799 11.310 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.357 10.522 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.997 9.109 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.215 9.123 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.356 7.249 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.633 8.356 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.812 7.791 4.914 1.00 0.00 H new ATOM 418 N LYS A 39 -15.253 12.026 1.860 1.00 0.00 N ATOM 419 CA LYS A 39 -13.923 12.592 1.671 1.00 0.00 C ATOM 420 C LYS A 39 -13.395 12.276 0.274 1.00 0.00 C ATOM 421 O LYS A 39 -12.581 11.371 0.099 1.00 0.00 O ATOM 422 CB LYS A 39 -12.960 12.051 2.729 1.00 0.00 C ATOM 423 CG LYS A 39 -12.841 12.942 3.956 1.00 0.00 C ATOM 424 CD LYS A 39 -14.016 12.750 4.900 1.00 0.00 C ATOM 425 CE LYS A 39 -14.511 14.077 5.454 1.00 0.00 C ATOM 426 NZ LYS A 39 -13.393 14.911 5.976 1.00 0.00 N ATOM 0 H LYS A 39 -15.340 11.052 1.569 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.995 13.674 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.294 11.061 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.973 11.929 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.912 12.719 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.789 13.986 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.828 12.249 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.720 12.099 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.037 14.624 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.230 13.892 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -13.747 15.533 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.648 14.294 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.003 15.490 5.205 1.00 0.00 H new ATOM 440 N PRO A 40 -13.858 13.022 -0.742 1.00 0.00 N ATOM 441 CA PRO A 40 -13.433 12.819 -2.131 1.00 0.00 C ATOM 442 C PRO A 40 -11.919 12.895 -2.290 1.00 0.00 C ATOM 443 O PRO A 40 -11.367 13.955 -2.589 1.00 0.00 O ATOM 444 CB PRO A 40 -14.110 13.966 -2.887 1.00 0.00 C ATOM 445 CG PRO A 40 -15.274 14.344 -2.037 1.00 0.00 C ATOM 446 CD PRO A 40 -14.834 14.120 -0.619 1.00 0.00 C ATOM 0 HA PRO A 40 -13.709 11.831 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.430 14.807 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.430 13.651 -3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.555 15.384 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.147 13.737 -2.276 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.382 15.015 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.670 13.846 0.024 1.00 0.00 H new ATOM 454 N ARG A 41 -11.252 11.763 -2.091 1.00 0.00 N ATOM 455 CA ARG A 41 -9.800 11.696 -2.212 1.00 0.00 C ATOM 456 C ARG A 41 -9.124 12.610 -1.194 1.00 0.00 C ATOM 457 O ARG A 41 -9.224 13.834 -1.281 1.00 0.00 O ATOM 458 CB ARG A 41 -9.367 12.078 -3.630 1.00 0.00 C ATOM 459 CG ARG A 41 -8.361 11.115 -4.239 1.00 0.00 C ATOM 460 CD ARG A 41 -7.700 11.706 -5.473 1.00 0.00 C ATOM 461 NE ARG A 41 -6.925 10.710 -6.209 1.00 0.00 N ATOM 462 CZ ARG A 41 -6.487 10.884 -7.454 1.00 0.00 C ATOM 463 NH1 ARG A 41 -6.745 12.011 -8.105 1.00 0.00 N ATOM 464 NH2 ARG A 41 -5.790 9.926 -8.052 1.00 0.00 N ATOM 0 H ARG A 41 -11.695 10.878 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.491 10.670 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.248 12.123 -4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.935 13.078 -3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.599 10.868 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.862 10.184 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.464 12.127 -6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.047 12.527 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.707 9.830 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.282 12.750 -7.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.406 12.138 -9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.590 9.056 -7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.454 10.059 -9.006 1.00 0.00 H new ATOM 478 N THR A 42 -8.432 12.006 -0.235 1.00 0.00 N ATOM 479 CA THR A 42 -7.734 12.763 0.800 1.00 0.00 C ATOM 480 C THR A 42 -6.370 12.148 1.091 1.00 0.00 C ATOM 481 O THR A 42 -6.090 11.018 0.691 1.00 0.00 O ATOM 482 CB THR A 42 -8.573 12.811 2.079 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.477 11.721 2.126 1.00 0.00 O ATOM 484 CG2 THR A 42 -9.381 14.083 2.216 1.00 0.00 C ATOM 0 H THR A 42 -8.339 10.994 -0.152 1.00 0.00 H new ATOM 0 HA THR A 42 -7.584 13.780 0.437 1.00 0.00 H new ATOM 0 HB THR A 42 -7.855 12.765 2.898 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.888 11.675 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.953 14.053 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.709 14.941 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.064 14.173 1.372 1.00 0.00 H new ATOM 492 N ALA A 43 -5.523 12.899 1.789 1.00 0.00 N ATOM 493 CA ALA A 43 -4.187 12.424 2.129 1.00 0.00 C ATOM 494 C ALA A 43 -4.253 11.150 2.961 1.00 0.00 C ATOM 495 O ALA A 43 -3.459 10.228 2.765 1.00 0.00 O ATOM 496 CB ALA A 43 -3.415 13.504 2.871 1.00 0.00 C ATOM 0 H ALA A 43 -5.738 13.836 2.129 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.664 12.193 1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.420 13.135 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.328 14.388 2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.944 13.764 3.788 1.00 0.00 H new ATOM 502 N GLN A 44 -5.204 11.100 3.883 1.00 0.00 N ATOM 503 CA GLN A 44 -5.373 9.933 4.738 1.00 0.00 C ATOM 504 C GLN A 44 -5.987 8.782 3.952 1.00 0.00 C ATOM 505 O GLN A 44 -5.704 7.614 4.215 1.00 0.00 O ATOM 506 CB GLN A 44 -6.254 10.274 5.943 1.00 0.00 C ATOM 507 CG GLN A 44 -5.465 10.694 7.173 1.00 0.00 C ATOM 508 CD GLN A 44 -6.066 10.164 8.460 1.00 0.00 C ATOM 509 OE1 GLN A 44 -7.262 10.314 8.708 1.00 0.00 O ATOM 510 NE2 GLN A 44 -5.237 9.537 9.287 1.00 0.00 N ATOM 0 H GLN A 44 -5.870 11.853 4.058 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.391 9.628 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.937 11.078 5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.866 9.407 6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.439 10.337 7.081 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.421 11.782 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.252 9.435 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.585 9.157 10.167 1.00 0.00 H new ATOM 519 N ASP A 45 -6.823 9.120 2.980 1.00 0.00 N ATOM 520 CA ASP A 45 -7.466 8.115 2.146 1.00 0.00 C ATOM 521 C ASP A 45 -6.454 7.463 1.212 1.00 0.00 C ATOM 522 O ASP A 45 -6.539 6.269 0.924 1.00 0.00 O ATOM 523 CB ASP A 45 -8.604 8.737 1.337 1.00 0.00 C ATOM 524 CG ASP A 45 -9.679 7.730 0.982 1.00 0.00 C ATOM 525 OD1 ASP A 45 -10.412 7.297 1.896 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.789 7.373 -0.210 1.00 0.00 O ATOM 0 H ASP A 45 -7.072 10.082 2.750 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.881 7.347 2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.048 9.552 1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.201 9.171 0.422 1.00 0.00 H new ATOM 531 N GLU A 46 -5.500 8.258 0.738 1.00 0.00 N ATOM 532 CA GLU A 46 -4.474 7.762 -0.172 1.00 0.00 C ATOM 533 C GLU A 46 -3.539 6.786 0.531 1.00 0.00 C ATOM 534 O GLU A 46 -3.199 5.738 -0.014 1.00 0.00 O ATOM 535 CB GLU A 46 -3.674 8.926 -0.759 1.00 0.00 C ATOM 536 CG GLU A 46 -3.389 8.781 -2.245 1.00 0.00 C ATOM 537 CD GLU A 46 -4.476 9.390 -3.109 1.00 0.00 C ATOM 538 OE1 GLU A 46 -5.177 10.303 -2.626 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.625 8.953 -4.270 1.00 0.00 O ATOM 0 H GLU A 46 -5.416 9.248 0.969 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.974 7.231 -0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.222 9.853 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.729 9.013 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.436 9.257 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.285 7.724 -2.490 1.00 0.00 H new ATOM 546 N LYS A 47 -3.130 7.135 1.742 1.00 0.00 N ATOM 547 CA LYS A 47 -2.238 6.276 2.510 1.00 0.00 C ATOM 548 C LYS A 47 -2.957 4.998 2.926 1.00 0.00 C ATOM 549 O LYS A 47 -2.367 3.917 2.940 1.00 0.00 O ATOM 550 CB LYS A 47 -1.688 7.007 3.738 1.00 0.00 C ATOM 551 CG LYS A 47 -2.755 7.691 4.577 1.00 0.00 C ATOM 552 CD LYS A 47 -3.028 6.931 5.864 1.00 0.00 C ATOM 553 CE LYS A 47 -2.055 7.327 6.963 1.00 0.00 C ATOM 554 NZ LYS A 47 -0.788 6.547 6.891 1.00 0.00 N ATOM 0 H LYS A 47 -3.398 8.000 2.212 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.395 6.010 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.151 6.294 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.964 7.753 3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.437 8.706 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.676 7.772 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.049 7.126 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.952 5.860 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.831 8.391 6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.522 7.171 7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.313 6.570 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.001 5.562 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.164 6.964 6.171 1.00 0.00 H new ATOM 568 N PHE A 48 -4.235 5.130 3.265 1.00 0.00 N ATOM 569 CA PHE A 48 -5.036 3.986 3.679 1.00 0.00 C ATOM 570 C PHE A 48 -5.314 3.053 2.508 1.00 0.00 C ATOM 571 O PHE A 48 -5.246 1.832 2.649 1.00 0.00 O ATOM 572 CB PHE A 48 -6.354 4.451 4.305 1.00 0.00 C ATOM 573 CG PHE A 48 -6.524 4.023 5.734 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.913 2.729 6.043 1.00 0.00 C ATOM 575 CD2 PHE A 48 -6.294 4.915 6.771 1.00 0.00 C ATOM 576 CE1 PHE A 48 -7.071 2.332 7.356 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.451 4.523 8.086 1.00 0.00 C ATOM 578 CZ PHE A 48 -6.840 3.230 8.380 1.00 0.00 C ATOM 0 H PHE A 48 -4.737 6.018 3.261 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.465 3.434 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.409 5.538 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.184 4.061 3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.095 2.022 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.989 5.927 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.375 1.321 7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.270 5.227 8.885 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.963 2.922 9.408 1.00 0.00 H new ATOM 588 N LEU A 49 -5.622 3.627 1.350 1.00 0.00 N ATOM 589 CA LEU A 49 -5.900 2.826 0.166 1.00 0.00 C ATOM 590 C LEU A 49 -4.617 2.201 -0.365 1.00 0.00 C ATOM 591 O LEU A 49 -4.623 1.080 -0.869 1.00 0.00 O ATOM 592 CB LEU A 49 -6.575 3.668 -0.921 1.00 0.00 C ATOM 593 CG LEU A 49 -5.748 4.841 -1.451 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.680 4.353 -2.420 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.652 5.864 -2.122 1.00 0.00 C ATOM 0 H LEU A 49 -5.685 4.635 1.207 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.586 2.028 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.827 3.016 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.513 4.057 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.249 5.319 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.104 5.203 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.015 3.657 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.155 3.849 -3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.050 6.693 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.178 5.395 -2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.377 6.238 -1.399 1.00 0.00 H new ATOM 607 N ARG A 50 -3.517 2.935 -0.238 1.00 0.00 N ATOM 608 CA ARG A 50 -2.222 2.449 -0.694 1.00 0.00 C ATOM 609 C ARG A 50 -1.765 1.268 0.154 1.00 0.00 C ATOM 610 O ARG A 50 -1.187 0.308 -0.356 1.00 0.00 O ATOM 611 CB ARG A 50 -1.182 3.571 -0.638 1.00 0.00 C ATOM 612 CG ARG A 50 -1.008 4.307 -1.957 1.00 0.00 C ATOM 613 CD ARG A 50 0.406 4.839 -2.120 1.00 0.00 C ATOM 614 NE ARG A 50 1.018 4.394 -3.370 1.00 0.00 N ATOM 615 CZ ARG A 50 2.086 4.969 -3.919 1.00 0.00 C ATOM 616 NH1 ARG A 50 2.662 6.010 -3.333 1.00 0.00 N ATOM 617 NH2 ARG A 50 2.579 4.501 -5.058 1.00 0.00 N ATOM 0 H ARG A 50 -3.497 3.867 0.176 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.325 2.116 -1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.472 4.286 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.222 3.151 -0.337 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.242 3.635 -2.783 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.716 5.134 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.389 5.929 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.017 4.509 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 50 0.603 3.596 -3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.287 6.374 -2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.480 6.446 -3.758 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.140 3.701 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.397 4.941 -5.479 1.00 0.00 H new ATOM 631 N GLU A 51 -2.030 1.349 1.455 1.00 0.00 N ATOM 632 CA GLU A 51 -1.649 0.287 2.379 1.00 0.00 C ATOM 633 C GLU A 51 -2.547 -0.935 2.205 1.00 0.00 C ATOM 634 O GLU A 51 -2.107 -2.071 2.377 1.00 0.00 O ATOM 635 CB GLU A 51 -1.724 0.787 3.822 1.00 0.00 C ATOM 636 CG GLU A 51 -0.627 0.235 4.716 1.00 0.00 C ATOM 637 CD GLU A 51 0.762 0.582 4.219 1.00 0.00 C ATOM 638 OE1 GLU A 51 1.132 1.774 4.275 1.00 0.00 O ATOM 639 OE2 GLU A 51 1.481 -0.336 3.771 1.00 0.00 O ATOM 0 H GLU A 51 -2.506 2.138 1.892 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.623 -0.004 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.669 1.876 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.693 0.516 4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.755 0.626 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.726 -0.849 4.779 1.00 0.00 H new ATOM 646 N SER A 52 -3.808 -0.690 1.865 1.00 0.00 N ATOM 647 CA SER A 52 -4.771 -1.768 1.670 1.00 0.00 C ATOM 648 C SER A 52 -5.168 -1.889 0.201 1.00 0.00 C ATOM 649 O SER A 52 -6.348 -2.023 -0.124 1.00 0.00 O ATOM 650 CB SER A 52 -6.013 -1.529 2.530 1.00 0.00 C ATOM 651 OG SER A 52 -5.678 -0.869 3.738 1.00 0.00 O ATOM 0 H SER A 52 -4.187 0.246 1.719 1.00 0.00 H new ATOM 0 HA SER A 52 -4.299 -2.702 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.735 -0.931 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.493 -2.482 2.754 1.00 0.00 H new ATOM 0 HG SER A 52 -5.526 0.082 3.560 1.00 0.00 H new ATOM 657 N ALA A 53 -4.175 -1.840 -0.681 1.00 0.00 N ATOM 658 CA ALA A 53 -4.424 -1.943 -2.115 1.00 0.00 C ATOM 659 C ALA A 53 -3.761 -3.186 -2.698 1.00 0.00 C ATOM 660 O ALA A 53 -2.543 -3.350 -2.616 1.00 0.00 O ATOM 661 CB ALA A 53 -3.925 -0.695 -2.828 1.00 0.00 C ATOM 0 H ALA A 53 -3.193 -1.730 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.500 -2.030 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.117 -0.785 -3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.446 0.180 -2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.854 -0.584 -2.660 1.00 0.00 H new ATOM 667 N CYS A 54 -4.570 -4.060 -3.288 1.00 0.00 N ATOM 668 CA CYS A 54 -4.062 -5.289 -3.888 1.00 0.00 C ATOM 669 C CYS A 54 -3.204 -4.983 -5.111 1.00 0.00 C ATOM 670 O CYS A 54 -3.642 -5.155 -6.248 1.00 0.00 O ATOM 671 CB CYS A 54 -5.220 -6.209 -4.278 1.00 0.00 C ATOM 672 SG CYS A 54 -5.838 -7.248 -2.915 1.00 0.00 S ATOM 0 H CYS A 54 -5.580 -3.940 -3.364 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.441 -5.795 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.041 -5.601 -4.658 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.897 -6.855 -5.095 1.00 0.00 H new ATOM 677 N GLY A 55 -1.979 -4.528 -4.870 1.00 0.00 N ATOM 678 CA GLY A 55 -1.080 -4.205 -5.962 1.00 0.00 C ATOM 679 C GLY A 55 -1.466 -2.920 -6.669 1.00 0.00 C ATOM 680 O GLY A 55 -2.649 -2.615 -6.814 1.00 0.00 O ATOM 0 H GLY A 55 -1.593 -4.377 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.064 -4.114 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.076 -5.025 -6.680 1.00 0.00 H new ATOM 684 N PHE A 56 -0.464 -2.165 -7.110 1.00 0.00 N ATOM 685 CA PHE A 56 -0.706 -0.906 -7.805 1.00 0.00 C ATOM 686 C PHE A 56 -1.220 -1.154 -9.218 1.00 0.00 C ATOM 687 O PHE A 56 -2.023 -0.382 -9.741 1.00 0.00 O ATOM 688 CB PHE A 56 0.576 -0.074 -7.856 1.00 0.00 C ATOM 689 CG PHE A 56 0.338 1.405 -7.739 1.00 0.00 C ATOM 690 CD1 PHE A 56 -0.025 1.968 -6.526 1.00 0.00 C ATOM 691 CD2 PHE A 56 0.475 2.232 -8.843 1.00 0.00 C ATOM 692 CE1 PHE A 56 -0.246 3.328 -6.416 1.00 0.00 C ATOM 693 CE2 PHE A 56 0.256 3.591 -8.739 1.00 0.00 C ATOM 694 CZ PHE A 56 -0.105 4.141 -7.524 1.00 0.00 C ATOM 0 H PHE A 56 0.522 -2.403 -6.998 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.468 -0.356 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.238 -0.392 -7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.094 -0.277 -8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.137 1.337 -5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.756 1.808 -9.796 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.529 3.755 -5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.367 4.224 -9.607 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.277 5.204 -7.441 1.00 0.00 H new ATOM 704 N ASP A 57 -0.750 -2.237 -9.833 1.00 0.00 N ATOM 705 CA ASP A 57 -1.161 -2.591 -11.189 1.00 0.00 C ATOM 706 C ASP A 57 -0.619 -1.588 -12.203 1.00 0.00 C ATOM 707 O ASP A 57 0.255 -1.913 -13.006 1.00 0.00 O ATOM 708 CB ASP A 57 -2.688 -2.660 -11.287 1.00 0.00 C ATOM 709 CG ASP A 57 -3.159 -3.801 -12.168 1.00 0.00 C ATOM 710 OD1 ASP A 57 -2.780 -4.959 -11.893 1.00 0.00 O ATOM 711 OD2 ASP A 57 -3.909 -3.536 -13.131 1.00 0.00 O ATOM 0 H ASP A 57 -0.084 -2.885 -9.413 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.747 -3.573 -11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.109 -2.778 -10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.067 -1.718 -11.683 1.00 0.00 H new ATOM 716 N GLY A 58 -1.144 -0.367 -12.158 1.00 0.00 N ATOM 717 CA GLY A 58 -0.701 0.665 -13.078 1.00 0.00 C ATOM 718 C GLY A 58 -1.855 1.315 -13.816 1.00 0.00 C ATOM 719 O GLY A 58 -1.771 2.478 -14.213 1.00 0.00 O ATOM 0 H GLY A 58 -1.868 -0.074 -11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.150 1.427 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.009 0.232 -13.800 1.00 0.00 H new ATOM 723 N GLN A 59 -2.934 0.562 -14.003 1.00 0.00 N ATOM 724 CA GLN A 59 -4.109 1.070 -14.700 1.00 0.00 C ATOM 725 C GLN A 59 -5.388 0.711 -13.950 1.00 0.00 C ATOM 726 O GLN A 59 -6.283 1.541 -13.796 1.00 0.00 O ATOM 727 CB GLN A 59 -4.164 0.512 -16.124 1.00 0.00 C ATOM 728 CG GLN A 59 -3.498 1.406 -17.155 1.00 0.00 C ATOM 729 CD GLN A 59 -4.474 2.356 -17.821 1.00 0.00 C ATOM 730 OE1 GLN A 59 -5.587 2.563 -17.336 1.00 0.00 O ATOM 731 NE2 GLN A 59 -4.063 2.939 -18.941 1.00 0.00 N ATOM 0 H GLN A 59 -3.019 -0.402 -13.681 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.031 2.156 -14.745 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.684 -0.467 -16.140 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.206 0.361 -16.406 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.707 1.982 -16.674 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.024 0.786 -17.916 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.133 2.739 -19.308 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.678 3.587 -19.434 1.00 0.00 H new ATOM 740 N THR A 60 -5.468 -0.534 -13.486 1.00 0.00 N ATOM 741 CA THR A 60 -6.638 -1.003 -12.753 1.00 0.00 C ATOM 742 C THR A 60 -6.401 -0.943 -11.245 1.00 0.00 C ATOM 743 O THR A 60 -5.753 -1.821 -10.677 1.00 0.00 O ATOM 744 CB THR A 60 -6.980 -2.434 -13.167 1.00 0.00 C ATOM 745 OG1 THR A 60 -7.053 -2.546 -14.578 1.00 0.00 O ATOM 746 CG2 THR A 60 -8.295 -2.924 -12.599 1.00 0.00 C ATOM 0 H THR A 60 -4.736 -1.235 -13.605 1.00 0.00 H new ATOM 0 HA THR A 60 -7.474 -0.347 -12.996 1.00 0.00 H new ATOM 0 HB THR A 60 -6.176 -3.050 -12.764 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.271 -3.470 -14.822 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.477 -3.946 -12.932 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.253 -2.899 -11.510 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.103 -2.280 -12.946 1.00 0.00 H new ATOM 754 N PRO A 61 -6.923 0.098 -10.570 1.00 0.00 N ATOM 755 CA PRO A 61 -6.761 0.259 -9.122 1.00 0.00 C ATOM 756 C PRO A 61 -7.559 -0.774 -8.333 1.00 0.00 C ATOM 757 O PRO A 61 -8.612 -1.229 -8.777 1.00 0.00 O ATOM 758 CB PRO A 61 -7.300 1.666 -8.856 1.00 0.00 C ATOM 759 CG PRO A 61 -8.266 1.915 -9.963 1.00 0.00 C ATOM 760 CD PRO A 61 -7.714 1.196 -11.163 1.00 0.00 C ATOM 0 HA PRO A 61 -5.726 0.120 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.788 1.726 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.498 2.404 -8.856 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.258 1.542 -9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.367 2.982 -10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.509 0.817 -11.805 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.095 1.852 -11.775 1.00 0.00 H new ATOM 768 N LYS A 62 -7.050 -1.137 -7.161 1.00 0.00 N ATOM 769 CA LYS A 62 -7.717 -2.116 -6.309 1.00 0.00 C ATOM 770 C LYS A 62 -7.715 -1.663 -4.853 1.00 0.00 C ATOM 771 O LYS A 62 -6.878 -0.859 -4.443 1.00 0.00 O ATOM 772 CB LYS A 62 -7.035 -3.480 -6.432 1.00 0.00 C ATOM 773 CG LYS A 62 -7.647 -4.372 -7.499 1.00 0.00 C ATOM 774 CD LYS A 62 -6.900 -4.258 -8.819 1.00 0.00 C ATOM 775 CE LYS A 62 -6.723 -5.617 -9.481 1.00 0.00 C ATOM 776 NZ LYS A 62 -5.290 -5.910 -9.768 1.00 0.00 N ATOM 0 H LYS A 62 -6.179 -0.769 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.751 -2.203 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.979 -3.330 -6.657 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.086 -3.991 -5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.633 -5.408 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.692 -4.099 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.445 -3.594 -9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.923 -3.806 -8.647 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.130 -6.393 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.293 -5.646 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.210 -6.844 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.908 -5.184 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.750 -5.907 -8.879 1.00 0.00 H new ATOM 790 N VAL A 63 -8.658 -2.185 -4.077 1.00 0.00 N ATOM 791 CA VAL A 63 -8.766 -1.837 -2.666 1.00 0.00 C ATOM 792 C VAL A 63 -9.129 -3.056 -1.825 1.00 0.00 C ATOM 793 O VAL A 63 -9.714 -4.017 -2.327 1.00 0.00 O ATOM 794 CB VAL A 63 -9.822 -0.739 -2.438 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.779 -0.246 -1.000 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.616 0.411 -3.410 1.00 0.00 C ATOM 0 H VAL A 63 -9.359 -2.851 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.790 -1.463 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.808 -1.166 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.532 0.529 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.982 -1.077 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.792 0.163 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.372 1.177 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.624 0.839 -3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.704 0.043 -4.432 1.00 0.00 H new ATOM 806 N CYS A 64 -8.779 -3.011 -0.543 1.00 0.00 N ATOM 807 CA CYS A 64 -9.070 -4.114 0.366 1.00 0.00 C ATOM 808 C CYS A 64 -10.292 -3.804 1.225 1.00 0.00 C ATOM 809 O CYS A 64 -10.333 -2.789 1.920 1.00 0.00 O ATOM 810 CB CYS A 64 -7.861 -4.396 1.262 1.00 0.00 C ATOM 811 SG CYS A 64 -7.823 -6.078 1.958 1.00 0.00 S ATOM 0 H CYS A 64 -8.294 -2.224 -0.111 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.285 -4.999 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.950 -4.233 0.686 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.854 -3.676 2.080 1.00 0.00 H new ATOM 816 N CYS A 65 -11.285 -4.686 1.170 1.00 0.00 N ATOM 817 CA CYS A 65 -12.510 -4.509 1.943 1.00 0.00 C ATOM 818 C CYS A 65 -12.693 -5.655 2.937 1.00 0.00 C ATOM 819 O CYS A 65 -12.811 -6.815 2.539 1.00 0.00 O ATOM 820 CB CYS A 65 -13.720 -4.434 1.009 1.00 0.00 C ATOM 821 SG CYS A 65 -14.109 -2.752 0.423 1.00 0.00 S ATOM 0 H CYS A 65 -11.266 -5.531 0.598 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.429 -3.575 2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.539 -5.074 0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.590 -4.836 1.527 1.00 0.00 H new ATOM 826 N PRO A 66 -12.723 -5.352 4.248 1.00 0.00 N ATOM 827 CA PRO A 66 -12.895 -6.372 5.286 1.00 0.00 C ATOM 828 C PRO A 66 -14.307 -6.948 5.301 1.00 0.00 C ATOM 829 O PRO A 66 -15.206 -6.399 5.937 1.00 0.00 O ATOM 830 CB PRO A 66 -12.615 -5.611 6.583 1.00 0.00 C ATOM 831 CG PRO A 66 -12.947 -4.195 6.268 1.00 0.00 C ATOM 832 CD PRO A 66 -12.593 -3.998 4.821 1.00 0.00 C ATOM 0 HA PRO A 66 -12.239 -7.228 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.226 -5.988 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.573 -5.716 6.887 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.004 -3.994 6.442 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.384 -3.512 6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.265 -3.290 4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.582 -3.608 4.704 1.00 0.00 H new TER 840 PRO A 66