USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 629 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 34 ASN : amide:sc= -0.0434 X(o=-0.63,f=-0.7) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.588 K(o=-0.63,f=-2.1!) USER MOD Set 2.1: A 12 SER OG : rot -84:sc= 1.15 USER MOD Set 2.2: A 15 HIS :FLIP no HD1:sc= -1.67 F(o=-1.3,f=-0.52) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.0005) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0484) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.117) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 101:sc= 1.1 USER MOD Single : A 24 GLN : amide:sc= -0.0286 K(o=-0.029,f=-0.93) USER MOD Single : A 25 THR OG1 : rot 83:sc= 0.212 USER MOD Single : A 27 SER OG : rot 83:sc= 0.0031 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 38 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.017) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00692) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -68:sc= 1.15 USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.0279 (180deg=-0.26) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0492 X(o=-0.049,f=0) USER MOD Single : A 75 ASN : amide:sc= -5.66 K(o=-5.7,f=-19!) USER MOD Single : A 80 THR OG1 : rot -12:sc= 0.124 USER MOD Single : A 81 MET CE :methyl -135:sc= -0.511 (180deg=-3.18!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot -11:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 3 8.658 -0.159 8.075 1.00 0.00 N ATOM 12 CA GLN A 3 7.211 0.130 7.850 1.00 0.00 C ATOM 13 C GLN A 3 6.985 1.643 7.850 1.00 0.00 C ATOM 14 O GLN A 3 7.914 2.418 7.977 1.00 0.00 O ATOM 15 CB GLN A 3 6.382 -0.508 8.969 1.00 0.00 C ATOM 16 CG GLN A 3 6.936 -0.078 10.328 1.00 0.00 C ATOM 17 CD GLN A 3 5.804 -0.048 11.357 1.00 0.00 C ATOM 18 OE1 GLN A 3 5.077 -1.010 11.506 1.00 0.00 O ATOM 19 NE2 GLN A 3 5.623 1.024 12.080 1.00 0.00 N ATOM 0 HA GLN A 3 6.905 -0.283 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.338 -0.207 8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 3 6.409 -1.594 8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.715 -0.769 10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.396 0.907 10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 3 6.233 1.832 11.956 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.872 1.053 12.769 1.00 0.00 H new ATOM 28 N LYS A 4 5.754 2.064 7.709 1.00 0.00 N ATOM 29 CA LYS A 4 5.450 3.524 7.700 1.00 0.00 C ATOM 30 C LYS A 4 3.937 3.725 7.617 1.00 0.00 C ATOM 31 O LYS A 4 3.202 2.827 7.253 1.00 0.00 O ATOM 32 CB LYS A 4 6.122 4.177 6.488 1.00 0.00 C ATOM 33 CG LYS A 4 5.921 5.694 6.543 1.00 0.00 C ATOM 34 CD LYS A 4 6.761 6.360 5.452 1.00 0.00 C ATOM 35 CE LYS A 4 6.276 7.796 5.239 1.00 0.00 C ATOM 36 NZ LYS A 4 6.567 8.605 6.456 1.00 0.00 N ATOM 0 H LYS A 4 4.943 1.455 7.599 1.00 0.00 H new ATOM 0 HA LYS A 4 5.828 3.983 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.186 3.941 6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.699 3.777 5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.867 5.937 6.405 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.210 6.075 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.813 6.359 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.682 5.796 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.771 8.233 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.206 7.803 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.347 9.604 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.984 8.264 7.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.573 8.512 6.702 1.00 0.00 H new ATOM 50 N THR A 5 3.468 4.900 7.953 1.00 0.00 N ATOM 51 CA THR A 5 2.002 5.171 7.897 1.00 0.00 C ATOM 52 C THR A 5 1.716 6.199 6.801 1.00 0.00 C ATOM 53 O THR A 5 2.426 7.177 6.658 1.00 0.00 O ATOM 54 CB THR A 5 1.534 5.719 9.247 1.00 0.00 C ATOM 55 OG1 THR A 5 2.318 5.149 10.286 1.00 0.00 O ATOM 56 CG2 THR A 5 0.063 5.363 9.462 1.00 0.00 C ATOM 0 H THR A 5 4.040 5.685 8.264 1.00 0.00 H new ATOM 0 HA THR A 5 1.468 4.247 7.676 1.00 0.00 H new ATOM 0 HB THR A 5 1.648 6.803 9.258 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.020 5.501 11.151 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.269 5.754 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.538 5.802 8.665 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.055 4.279 9.451 1.00 0.00 H new ATOM 64 N PHE A 6 0.684 5.982 6.027 1.00 0.00 N ATOM 65 CA PHE A 6 0.346 6.941 4.934 1.00 0.00 C ATOM 66 C PHE A 6 -1.064 7.496 5.154 1.00 0.00 C ATOM 67 O PHE A 6 -1.929 6.825 5.685 1.00 0.00 O ATOM 68 CB PHE A 6 0.405 6.219 3.587 1.00 0.00 C ATOM 69 CG PHE A 6 1.843 5.915 3.240 1.00 0.00 C ATOM 70 CD1 PHE A 6 2.466 4.779 3.772 1.00 0.00 C ATOM 71 CD2 PHE A 6 2.552 6.768 2.387 1.00 0.00 C ATOM 72 CE1 PHE A 6 3.799 4.497 3.449 1.00 0.00 C ATOM 73 CE2 PHE A 6 3.885 6.486 2.064 1.00 0.00 C ATOM 74 CZ PHE A 6 4.508 5.350 2.596 1.00 0.00 C ATOM 0 H PHE A 6 0.059 5.179 6.105 1.00 0.00 H new ATOM 0 HA PHE A 6 1.062 7.762 4.939 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.172 5.295 3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.044 6.838 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.919 4.121 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.071 7.644 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.280 3.621 3.858 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.432 7.144 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 6 5.536 5.132 2.348 1.00 0.00 H new ATOM 84 N LYS A 7 -1.298 8.717 4.747 1.00 0.00 N ATOM 85 CA LYS A 7 -2.649 9.328 4.925 1.00 0.00 C ATOM 86 C LYS A 7 -3.333 9.451 3.561 1.00 0.00 C ATOM 87 O LYS A 7 -3.008 10.318 2.772 1.00 0.00 O ATOM 88 CB LYS A 7 -2.499 10.719 5.547 1.00 0.00 C ATOM 89 CG LYS A 7 -3.881 11.296 5.858 1.00 0.00 C ATOM 90 CD LYS A 7 -4.519 10.510 7.005 1.00 0.00 C ATOM 91 CE LYS A 7 -5.831 11.180 7.417 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.844 10.992 6.340 1.00 0.00 N ATOM 0 H LYS A 7 -0.609 9.319 4.297 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.252 8.699 5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.906 10.658 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.964 11.378 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.794 12.348 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.515 11.246 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.705 9.482 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.837 10.469 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.193 10.751 8.351 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.668 12.243 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.780 11.279 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.588 11.575 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.871 9.991 6.060 1.00 0.00 H new ATOM 106 N VAL A 8 -4.276 8.586 3.280 1.00 0.00 N ATOM 107 CA VAL A 8 -4.983 8.644 1.968 1.00 0.00 C ATOM 108 C VAL A 8 -5.976 9.808 1.972 1.00 0.00 C ATOM 109 O VAL A 8 -6.955 9.799 2.696 1.00 0.00 O ATOM 110 CB VAL A 8 -5.735 7.333 1.729 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.326 7.333 0.318 1.00 0.00 C ATOM 112 CG2 VAL A 8 -4.765 6.156 1.873 1.00 0.00 C ATOM 0 H VAL A 8 -4.586 7.842 3.905 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.253 8.792 1.172 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.538 7.237 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.862 6.399 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.015 8.171 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.523 7.429 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.299 5.221 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.963 6.254 1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.341 6.154 2.877 1.00 0.00 H new ATOM 122 N THR A 9 -5.728 10.809 1.167 1.00 0.00 N ATOM 123 CA THR A 9 -6.647 11.983 1.111 1.00 0.00 C ATOM 124 C THR A 9 -7.353 12.030 -0.249 1.00 0.00 C ATOM 125 O THR A 9 -8.408 12.620 -0.386 1.00 0.00 O ATOM 126 CB THR A 9 -5.841 13.269 1.309 1.00 0.00 C ATOM 127 OG1 THR A 9 -5.064 13.162 2.493 1.00 0.00 O ATOM 128 CG2 THR A 9 -6.795 14.458 1.426 1.00 0.00 C ATOM 0 H THR A 9 -4.923 10.863 0.543 1.00 0.00 H new ATOM 0 HA THR A 9 -7.394 11.891 1.900 1.00 0.00 H new ATOM 0 HB THR A 9 -5.181 13.420 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.546 13.984 2.620 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.220 15.373 1.567 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.389 14.539 0.516 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.457 14.311 2.279 1.00 0.00 H new ATOM 136 N ALA A 10 -6.778 11.416 -1.258 1.00 0.00 N ATOM 137 CA ALA A 10 -7.411 11.426 -2.612 1.00 0.00 C ATOM 138 C ALA A 10 -8.810 10.808 -2.538 1.00 0.00 C ATOM 139 O ALA A 10 -9.064 9.916 -1.751 1.00 0.00 O ATOM 140 CB ALA A 10 -6.549 10.618 -3.583 1.00 0.00 C ATOM 0 H ALA A 10 -5.895 10.908 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.492 12.455 -2.962 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.010 10.625 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.555 11.062 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.467 9.591 -3.228 1.00 0.00 H new ATOM 146 N ASP A 11 -9.716 11.280 -3.356 1.00 0.00 N ATOM 147 CA ASP A 11 -11.103 10.732 -3.348 1.00 0.00 C ATOM 148 C ASP A 11 -11.093 9.313 -3.914 1.00 0.00 C ATOM 149 O ASP A 11 -10.082 8.832 -4.379 1.00 0.00 O ATOM 150 CB ASP A 11 -12.006 11.617 -4.207 1.00 0.00 C ATOM 151 CG ASP A 11 -11.396 11.771 -5.603 1.00 0.00 C ATOM 152 OD1 ASP A 11 -11.218 10.761 -6.263 1.00 0.00 O ATOM 153 OD2 ASP A 11 -11.118 12.895 -5.985 1.00 0.00 O ATOM 0 H ASP A 11 -9.552 12.026 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.480 10.713 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -13.000 11.177 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.124 12.595 -3.741 1.00 0.00 H new ATOM 158 N SER A 12 -12.223 8.644 -3.867 1.00 0.00 N ATOM 159 CA SER A 12 -12.335 7.238 -4.391 1.00 0.00 C ATOM 160 C SER A 12 -11.706 6.229 -3.411 1.00 0.00 C ATOM 161 O SER A 12 -11.787 5.034 -3.625 1.00 0.00 O ATOM 162 CB SER A 12 -11.673 7.113 -5.779 1.00 0.00 C ATOM 163 OG SER A 12 -10.302 6.747 -5.640 1.00 0.00 O ATOM 0 H SER A 12 -13.089 9.019 -3.481 1.00 0.00 H new ATOM 0 HA SER A 12 -13.396 7.007 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.198 6.366 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.752 8.059 -6.314 1.00 0.00 H new ATOM 0 HG SER A 12 -9.763 7.550 -5.483 1.00 0.00 H new ATOM 169 N GLY A 13 -11.087 6.683 -2.340 1.00 0.00 N ATOM 170 CA GLY A 13 -10.471 5.732 -1.369 1.00 0.00 C ATOM 171 C GLY A 13 -9.408 4.889 -2.074 1.00 0.00 C ATOM 172 O GLY A 13 -8.580 5.403 -2.804 1.00 0.00 O ATOM 0 H GLY A 13 -10.986 7.670 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.022 6.282 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.238 5.085 -0.943 1.00 0.00 H new ATOM 176 N ILE A 14 -9.426 3.601 -1.857 1.00 0.00 N ATOM 177 CA ILE A 14 -8.417 2.713 -2.503 1.00 0.00 C ATOM 178 C ILE A 14 -9.100 1.423 -2.964 1.00 0.00 C ATOM 179 O ILE A 14 -9.504 0.605 -2.161 1.00 0.00 O ATOM 180 CB ILE A 14 -7.323 2.388 -1.487 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.750 3.702 -0.924 1.00 0.00 C ATOM 182 CG2 ILE A 14 -6.215 1.567 -2.157 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.053 4.507 -2.029 1.00 0.00 C ATOM 0 H ILE A 14 -10.099 3.124 -1.257 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.976 3.211 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 14 -7.743 1.800 -0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.552 4.296 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.042 3.483 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.439 1.339 -1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.634 0.638 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.784 2.140 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.655 5.431 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.237 3.918 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.771 4.744 -2.814 1.00 0.00 H new ATOM 195 N HIS A 15 -9.241 1.247 -4.254 1.00 0.00 N ATOM 196 CA HIS A 15 -9.911 0.019 -4.780 1.00 0.00 C ATOM 197 C HIS A 15 -8.956 -0.724 -5.751 1.00 0.00 C ATOM 198 O HIS A 15 -7.854 -1.074 -5.367 1.00 0.00 O ATOM 199 CB HIS A 15 -11.247 0.415 -5.448 1.00 0.00 C ATOM 200 CG HIS A 15 -11.055 1.620 -6.337 1.00 0.00 C ATOM 201 ND1 HIS A 15 -10.866 2.948 -6.043 1.00 0.00 N flip ATOM 202 CD2 HIS A 15 -11.045 1.534 -7.720 1.00 0.00 C flip ATOM 203 CE1 HIS A 15 -10.740 3.675 -7.220 1.00 0.00 C flip ATOM 204 NE2 HIS A 15 -10.855 2.776 -8.200 1.00 0.00 N flip ATOM 0 H HIS A 15 -8.920 1.902 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 15 -10.140 -0.670 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.629 -0.420 -6.035 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.992 0.634 -4.683 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.167 0.635 -8.305 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.583 4.739 -7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.805 3.003 -9.193 1.00 0.00 H new ATOM 212 N ALA A 16 -9.349 -0.997 -6.985 1.00 0.00 N ATOM 213 CA ALA A 16 -8.445 -1.742 -7.916 1.00 0.00 C ATOM 214 C ALA A 16 -7.485 -0.787 -8.633 1.00 0.00 C ATOM 215 O ALA A 16 -6.392 -1.172 -9.000 1.00 0.00 O ATOM 216 CB ALA A 16 -9.288 -2.482 -8.955 1.00 0.00 C ATOM 0 H ALA A 16 -10.253 -0.734 -7.378 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.857 -2.450 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.632 -3.026 -9.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.952 -3.185 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.882 -1.764 -9.520 1.00 0.00 H new ATOM 222 N ARG A 17 -7.878 0.443 -8.849 1.00 0.00 N ATOM 223 CA ARG A 17 -6.976 1.404 -9.556 1.00 0.00 C ATOM 224 C ARG A 17 -5.665 1.580 -8.759 1.00 0.00 C ATOM 225 O ARG A 17 -4.596 1.378 -9.306 1.00 0.00 O ATOM 226 CB ARG A 17 -7.681 2.758 -9.711 1.00 0.00 C ATOM 227 CG ARG A 17 -8.198 2.917 -11.146 1.00 0.00 C ATOM 228 CD ARG A 17 -7.258 3.831 -11.936 1.00 0.00 C ATOM 229 NE ARG A 17 -7.119 5.133 -11.226 1.00 0.00 N ATOM 230 CZ ARG A 17 -8.155 5.915 -11.089 1.00 0.00 C ATOM 231 NH1 ARG A 17 -8.566 6.637 -12.095 1.00 0.00 N ATOM 232 NH2 ARG A 17 -8.781 5.975 -9.945 1.00 0.00 N ATOM 0 H ARG A 17 -8.782 0.823 -8.567 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.738 1.010 -10.544 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.510 2.829 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.990 3.567 -9.473 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.264 1.942 -11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.204 3.336 -11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.282 3.359 -12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.649 3.992 -12.940 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.214 5.413 -10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.078 6.591 -12.989 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.376 7.248 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.460 5.411 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.591 6.586 -9.838 1.00 0.00 H new ATOM 246 N PRO A 18 -5.761 1.945 -7.489 1.00 0.00 N ATOM 247 CA PRO A 18 -4.565 2.137 -6.648 1.00 0.00 C ATOM 248 C PRO A 18 -3.991 0.785 -6.212 1.00 0.00 C ATOM 249 O PRO A 18 -2.816 0.670 -5.919 1.00 0.00 O ATOM 250 CB PRO A 18 -5.084 2.929 -5.446 1.00 0.00 C ATOM 251 CG PRO A 18 -6.606 2.666 -5.373 1.00 0.00 C ATOM 252 CD PRO A 18 -7.039 2.194 -6.771 1.00 0.00 C ATOM 0 HA PRO A 18 -3.758 2.652 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.590 2.610 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.879 3.993 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.833 1.910 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.142 3.571 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.646 1.290 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.639 2.950 -7.278 1.00 0.00 H new ATOM 260 N ALA A 19 -4.809 -0.238 -6.170 1.00 0.00 N ATOM 261 CA ALA A 19 -4.311 -1.584 -5.758 1.00 0.00 C ATOM 262 C ALA A 19 -3.514 -2.228 -6.902 1.00 0.00 C ATOM 263 O ALA A 19 -2.756 -3.154 -6.685 1.00 0.00 O ATOM 264 CB ALA A 19 -5.500 -2.481 -5.406 1.00 0.00 C ATOM 0 H ALA A 19 -5.801 -0.197 -6.404 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.662 -1.470 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.138 -3.464 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.062 -2.035 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.148 -2.584 -6.276 1.00 0.00 H new ATOM 270 N THR A 20 -3.681 -1.753 -8.115 1.00 0.00 N ATOM 271 CA THR A 20 -2.934 -2.344 -9.266 1.00 0.00 C ATOM 272 C THR A 20 -1.595 -1.623 -9.432 1.00 0.00 C ATOM 273 O THR A 20 -0.590 -2.234 -9.749 1.00 0.00 O ATOM 274 CB THR A 20 -3.761 -2.193 -10.545 1.00 0.00 C ATOM 275 OG1 THR A 20 -5.047 -2.763 -10.346 1.00 0.00 O ATOM 276 CG2 THR A 20 -3.059 -2.910 -11.700 1.00 0.00 C ATOM 0 H THR A 20 -4.303 -0.981 -8.355 1.00 0.00 H new ATOM 0 HA THR A 20 -2.753 -3.402 -9.076 1.00 0.00 H new ATOM 0 HB THR A 20 -3.864 -1.135 -10.786 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.697 -2.051 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.650 -2.801 -12.609 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.073 -2.473 -11.854 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.953 -3.968 -11.461 1.00 0.00 H new ATOM 284 N VAL A 21 -1.570 -0.332 -9.219 1.00 0.00 N ATOM 285 CA VAL A 21 -0.291 0.427 -9.361 1.00 0.00 C ATOM 286 C VAL A 21 0.593 0.161 -8.137 1.00 0.00 C ATOM 287 O VAL A 21 1.807 0.176 -8.222 1.00 0.00 O ATOM 288 CB VAL A 21 -0.594 1.924 -9.458 1.00 0.00 C ATOM 289 CG1 VAL A 21 0.699 2.688 -9.752 1.00 0.00 C ATOM 290 CG2 VAL A 21 -1.596 2.167 -10.589 1.00 0.00 C ATOM 0 H VAL A 21 -2.379 0.229 -8.953 1.00 0.00 H new ATOM 0 HA VAL A 21 0.228 0.104 -10.264 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.016 2.272 -8.515 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.484 3.754 -9.821 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.415 2.514 -8.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.120 2.341 -10.695 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.813 3.233 -10.660 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.172 1.820 -11.531 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.517 1.622 -10.382 1.00 0.00 H new ATOM 300 N LEU A 22 -0.013 -0.077 -7.002 1.00 0.00 N ATOM 301 CA LEU A 22 0.775 -0.338 -5.762 1.00 0.00 C ATOM 302 C LEU A 22 1.258 -1.791 -5.742 1.00 0.00 C ATOM 303 O LEU A 22 2.358 -2.075 -5.308 1.00 0.00 O ATOM 304 CB LEU A 22 -0.107 -0.078 -4.539 1.00 0.00 C ATOM 305 CG LEU A 22 -0.443 1.412 -4.460 1.00 0.00 C ATOM 306 CD1 LEU A 22 -1.569 1.630 -3.448 1.00 0.00 C ATOM 307 CD2 LEU A 22 0.798 2.191 -4.016 1.00 0.00 C ATOM 0 H LEU A 22 -1.026 -0.102 -6.881 1.00 0.00 H new ATOM 0 HA LEU A 22 1.640 0.324 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.023 -0.665 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.408 -0.394 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.763 1.764 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.808 2.692 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.453 1.075 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.250 1.278 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.560 3.253 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.118 1.838 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.601 2.037 -4.737 1.00 0.00 H new ATOM 319 N VAL A 23 0.446 -2.711 -6.201 1.00 0.00 N ATOM 320 CA VAL A 23 0.862 -4.146 -6.201 1.00 0.00 C ATOM 321 C VAL A 23 2.031 -4.338 -7.175 1.00 0.00 C ATOM 322 O VAL A 23 2.885 -5.181 -6.976 1.00 0.00 O ATOM 323 CB VAL A 23 -0.328 -5.028 -6.621 1.00 0.00 C ATOM 324 CG1 VAL A 23 -0.779 -4.657 -8.037 1.00 0.00 C ATOM 325 CG2 VAL A 23 0.077 -6.512 -6.576 1.00 0.00 C ATOM 0 H VAL A 23 -0.486 -2.530 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 23 1.181 -4.435 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.153 -4.862 -5.928 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.621 -5.285 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.082 -3.610 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.045 -4.811 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.770 -7.130 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.909 -6.683 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.379 -6.776 -5.563 1.00 0.00 H new ATOM 335 N GLN A 24 2.068 -3.559 -8.225 1.00 0.00 N ATOM 336 CA GLN A 24 3.173 -3.686 -9.221 1.00 0.00 C ATOM 337 C GLN A 24 4.486 -3.212 -8.596 1.00 0.00 C ATOM 338 O GLN A 24 5.503 -3.874 -8.695 1.00 0.00 O ATOM 339 CB GLN A 24 2.855 -2.825 -10.446 1.00 0.00 C ATOM 340 CG GLN A 24 2.063 -3.652 -11.461 1.00 0.00 C ATOM 341 CD GLN A 24 2.039 -2.920 -12.805 1.00 0.00 C ATOM 342 OE1 GLN A 24 3.038 -2.379 -13.233 1.00 0.00 O ATOM 343 NE2 GLN A 24 0.930 -2.881 -13.494 1.00 0.00 N ATOM 0 H GLN A 24 1.378 -2.838 -8.436 1.00 0.00 H new ATOM 0 HA GLN A 24 3.270 -4.729 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.280 -1.948 -10.148 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.778 -2.462 -10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.517 -4.636 -11.578 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.046 -3.811 -11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.090 -3.335 -13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.904 -2.396 -14.391 1.00 0.00 H new ATOM 352 N THR A 25 4.474 -2.069 -7.957 1.00 0.00 N ATOM 353 CA THR A 25 5.722 -1.541 -7.327 1.00 0.00 C ATOM 354 C THR A 25 6.221 -2.517 -6.256 1.00 0.00 C ATOM 355 O THR A 25 7.410 -2.705 -6.084 1.00 0.00 O ATOM 356 CB THR A 25 5.432 -0.185 -6.681 1.00 0.00 C ATOM 357 OG1 THR A 25 4.820 0.671 -7.636 1.00 0.00 O ATOM 358 CG2 THR A 25 6.741 0.440 -6.195 1.00 0.00 C ATOM 0 H THR A 25 3.651 -1.477 -7.844 1.00 0.00 H new ATOM 0 HA THR A 25 6.488 -1.427 -8.094 1.00 0.00 H new ATOM 0 HB THR A 25 4.761 -0.321 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.858 0.487 -7.671 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.534 1.406 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.209 -0.218 -5.463 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.414 0.578 -7.041 1.00 0.00 H new ATOM 366 N ALA A 26 5.319 -3.133 -5.536 1.00 0.00 N ATOM 367 CA ALA A 26 5.729 -4.095 -4.470 1.00 0.00 C ATOM 368 C ALA A 26 6.235 -5.393 -5.107 1.00 0.00 C ATOM 369 O ALA A 26 7.030 -6.107 -4.524 1.00 0.00 O ATOM 370 CB ALA A 26 4.529 -4.402 -3.572 1.00 0.00 C ATOM 0 H ALA A 26 4.312 -3.010 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 26 6.528 -3.652 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.827 -5.104 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.173 -3.480 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.730 -4.841 -4.170 1.00 0.00 H new ATOM 376 N SER A 27 5.779 -5.705 -6.294 1.00 0.00 N ATOM 377 CA SER A 27 6.229 -6.958 -6.971 1.00 0.00 C ATOM 378 C SER A 27 7.725 -6.873 -7.290 1.00 0.00 C ATOM 379 O SER A 27 8.396 -7.881 -7.412 1.00 0.00 O ATOM 380 CB SER A 27 5.443 -7.141 -8.270 1.00 0.00 C ATOM 381 OG SER A 27 4.284 -7.923 -8.011 1.00 0.00 O ATOM 0 H SER A 27 5.113 -5.144 -6.824 1.00 0.00 H new ATOM 0 HA SER A 27 6.052 -7.806 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.158 -6.170 -8.676 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.065 -7.630 -9.020 1.00 0.00 H new ATOM 0 HG SER A 27 3.573 -7.347 -7.661 1.00 0.00 H new ATOM 387 N LYS A 28 8.252 -5.681 -7.431 1.00 0.00 N ATOM 388 CA LYS A 28 9.703 -5.531 -7.747 1.00 0.00 C ATOM 389 C LYS A 28 10.549 -5.987 -6.553 1.00 0.00 C ATOM 390 O LYS A 28 11.690 -6.380 -6.709 1.00 0.00 O ATOM 391 CB LYS A 28 10.007 -4.062 -8.054 1.00 0.00 C ATOM 392 CG LYS A 28 9.202 -3.605 -9.281 1.00 0.00 C ATOM 393 CD LYS A 28 10.150 -3.301 -10.444 1.00 0.00 C ATOM 394 CE LYS A 28 10.768 -1.915 -10.250 1.00 0.00 C ATOM 395 NZ LYS A 28 10.997 -1.283 -11.580 1.00 0.00 N ATOM 0 H LYS A 28 7.737 -4.805 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 28 9.946 -6.146 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.757 -3.442 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.073 -3.934 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.494 -4.381 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.619 -2.718 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.934 -4.057 -10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.608 -3.340 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.107 -1.291 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.710 -1.998 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.417 -0.341 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.643 -1.876 -12.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.090 -1.191 -12.081 1.00 0.00 H new ATOM 409 N TYR A 29 10.002 -5.932 -5.363 1.00 0.00 N ATOM 410 CA TYR A 29 10.776 -6.355 -4.159 1.00 0.00 C ATOM 411 C TYR A 29 10.246 -7.693 -3.644 1.00 0.00 C ATOM 412 O TYR A 29 9.054 -7.885 -3.498 1.00 0.00 O ATOM 413 CB TYR A 29 10.635 -5.291 -3.067 1.00 0.00 C ATOM 414 CG TYR A 29 11.058 -3.956 -3.626 1.00 0.00 C ATOM 415 CD1 TYR A 29 10.150 -3.191 -4.366 1.00 0.00 C ATOM 416 CD2 TYR A 29 12.360 -3.488 -3.413 1.00 0.00 C ATOM 417 CE1 TYR A 29 10.543 -1.956 -4.896 1.00 0.00 C ATOM 418 CE2 TYR A 29 12.754 -2.253 -3.941 1.00 0.00 C ATOM 419 CZ TYR A 29 11.845 -1.486 -4.683 1.00 0.00 C ATOM 420 OH TYR A 29 12.232 -0.267 -5.210 1.00 0.00 O ATOM 0 H TYR A 29 9.052 -5.612 -5.175 1.00 0.00 H new ATOM 0 HA TYR A 29 11.827 -6.468 -4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.603 -5.244 -2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 29 11.251 -5.551 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.146 -3.553 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 29 13.060 -4.079 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 29 9.843 -1.366 -5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.758 -1.891 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 29 13.165 -0.088 -4.970 1.00 0.00 H new ATOM 430 N ASP A 30 11.130 -8.619 -3.369 1.00 0.00 N ATOM 431 CA ASP A 30 10.695 -9.953 -2.862 1.00 0.00 C ATOM 432 C ASP A 30 10.263 -9.851 -1.390 1.00 0.00 C ATOM 433 O ASP A 30 9.762 -10.806 -0.826 1.00 0.00 O ATOM 434 CB ASP A 30 11.855 -10.942 -2.981 1.00 0.00 C ATOM 435 CG ASP A 30 12.099 -11.267 -4.456 1.00 0.00 C ATOM 436 OD1 ASP A 30 12.592 -10.402 -5.159 1.00 0.00 O ATOM 437 OD2 ASP A 30 11.788 -12.377 -4.857 1.00 0.00 O ATOM 0 H ASP A 30 12.138 -8.506 -3.475 1.00 0.00 H new ATOM 0 HA ASP A 30 9.849 -10.298 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.756 -10.518 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 30 11.627 -11.854 -2.429 1.00 0.00 H new ATOM 442 N ALA A 31 10.450 -8.710 -0.761 1.00 0.00 N ATOM 443 CA ALA A 31 10.046 -8.565 0.670 1.00 0.00 C ATOM 444 C ALA A 31 8.540 -8.803 0.806 1.00 0.00 C ATOM 445 O ALA A 31 7.803 -8.725 -0.159 1.00 0.00 O ATOM 446 CB ALA A 31 10.385 -7.153 1.154 1.00 0.00 C ATOM 0 H ALA A 31 10.864 -7.877 -1.180 1.00 0.00 H new ATOM 0 HA ALA A 31 10.583 -9.297 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.091 -7.046 2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.458 -6.984 1.060 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.848 -6.422 0.549 1.00 0.00 H new ATOM 452 N ASP A 32 8.084 -9.098 1.996 1.00 0.00 N ATOM 453 CA ASP A 32 6.628 -9.348 2.201 1.00 0.00 C ATOM 454 C ASP A 32 5.931 -8.049 2.605 1.00 0.00 C ATOM 455 O ASP A 32 5.931 -7.668 3.761 1.00 0.00 O ATOM 456 CB ASP A 32 6.438 -10.387 3.306 1.00 0.00 C ATOM 457 CG ASP A 32 6.926 -11.752 2.816 1.00 0.00 C ATOM 458 OD1 ASP A 32 8.121 -11.896 2.620 1.00 0.00 O ATOM 459 OD2 ASP A 32 6.095 -12.629 2.644 1.00 0.00 O ATOM 0 H ASP A 32 8.659 -9.176 2.835 1.00 0.00 H new ATOM 0 HA ASP A 32 6.195 -9.717 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.991 -10.090 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.387 -10.445 3.588 1.00 0.00 H new ATOM 464 N VAL A 33 5.331 -7.373 1.660 1.00 0.00 N ATOM 465 CA VAL A 33 4.621 -6.099 1.979 1.00 0.00 C ATOM 466 C VAL A 33 3.149 -6.402 2.275 1.00 0.00 C ATOM 467 O VAL A 33 2.499 -7.131 1.548 1.00 0.00 O ATOM 468 CB VAL A 33 4.721 -5.134 0.791 1.00 0.00 C ATOM 469 CG1 VAL A 33 6.167 -4.652 0.649 1.00 0.00 C ATOM 470 CG2 VAL A 33 4.285 -5.843 -0.500 1.00 0.00 C ATOM 0 H VAL A 33 5.302 -7.649 0.679 1.00 0.00 H new ATOM 0 HA VAL A 33 5.082 -5.636 2.851 1.00 0.00 H new ATOM 0 HB VAL A 33 4.066 -4.281 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.241 -3.966 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.471 -4.139 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.821 -5.508 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.359 -5.150 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.932 -6.701 -0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.254 -6.181 -0.399 1.00 0.00 H new ATOM 480 N ASN A 34 2.622 -5.856 3.341 1.00 0.00 N ATOM 481 CA ASN A 34 1.194 -6.115 3.693 1.00 0.00 C ATOM 482 C ASN A 34 0.484 -4.790 3.977 1.00 0.00 C ATOM 483 O ASN A 34 1.112 -3.787 4.265 1.00 0.00 O ATOM 484 CB ASN A 34 1.127 -7.003 4.938 1.00 0.00 C ATOM 485 CG ASN A 34 1.906 -8.296 4.686 1.00 0.00 C ATOM 486 OD1 ASN A 34 1.657 -8.989 3.720 1.00 0.00 O ATOM 487 ND2 ASN A 34 2.844 -8.651 5.521 1.00 0.00 N ATOM 0 H ASN A 34 3.120 -5.241 3.984 1.00 0.00 H new ATOM 0 HA ASN A 34 0.704 -6.617 2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.544 -6.476 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.089 -7.232 5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.369 -9.511 5.363 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.052 -8.068 6.332 1.00 0.00 H new ATOM 494 N LEU A 35 -0.822 -4.785 3.900 1.00 0.00 N ATOM 495 CA LEU A 35 -1.591 -3.534 4.166 1.00 0.00 C ATOM 496 C LEU A 35 -2.482 -3.740 5.391 1.00 0.00 C ATOM 497 O LEU A 35 -3.248 -4.683 5.459 1.00 0.00 O ATOM 498 CB LEU A 35 -2.461 -3.201 2.952 1.00 0.00 C ATOM 499 CG LEU A 35 -2.742 -1.699 2.920 1.00 0.00 C ATOM 500 CD1 LEU A 35 -1.662 -0.995 2.096 1.00 0.00 C ATOM 501 CD2 LEU A 35 -4.110 -1.450 2.282 1.00 0.00 C ATOM 0 H LEU A 35 -1.391 -5.598 3.663 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.899 -2.712 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.956 -3.507 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.398 -3.756 3.000 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.737 -1.307 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.862 0.076 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.686 -1.172 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.667 -1.387 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.311 -0.379 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.114 -1.842 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.881 -1.951 2.867 1.00 0.00 H new ATOM 513 N GLU A 36 -2.384 -2.866 6.361 1.00 0.00 N ATOM 514 CA GLU A 36 -3.221 -3.008 7.589 1.00 0.00 C ATOM 515 C GLU A 36 -4.208 -1.840 7.676 1.00 0.00 C ATOM 516 O GLU A 36 -3.822 -0.688 7.636 1.00 0.00 O ATOM 517 CB GLU A 36 -2.318 -3.003 8.824 1.00 0.00 C ATOM 518 CG GLU A 36 -3.096 -3.543 10.027 1.00 0.00 C ATOM 519 CD GLU A 36 -2.227 -3.450 11.281 1.00 0.00 C ATOM 520 OE1 GLU A 36 -1.253 -4.182 11.359 1.00 0.00 O ATOM 521 OE2 GLU A 36 -2.547 -2.649 12.144 1.00 0.00 O ATOM 0 H GLU A 36 -1.759 -2.060 6.354 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.773 -3.947 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.434 -3.615 8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.968 -1.991 9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.014 -2.972 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.388 -4.578 9.850 1.00 0.00 H new ATOM 528 N TYR A 37 -5.477 -2.136 7.797 1.00 0.00 N ATOM 529 CA TYR A 37 -6.498 -1.050 7.889 1.00 0.00 C ATOM 530 C TYR A 37 -7.580 -1.449 8.893 1.00 0.00 C ATOM 531 O TYR A 37 -8.021 -2.575 8.917 1.00 0.00 O ATOM 532 CB TYR A 37 -7.137 -0.828 6.521 1.00 0.00 C ATOM 533 CG TYR A 37 -7.992 0.412 6.577 1.00 0.00 C ATOM 534 CD1 TYR A 37 -7.388 1.672 6.597 1.00 0.00 C ATOM 535 CD2 TYR A 37 -9.386 0.301 6.619 1.00 0.00 C ATOM 536 CE1 TYR A 37 -8.176 2.824 6.658 1.00 0.00 C ATOM 537 CE2 TYR A 37 -10.177 1.454 6.678 1.00 0.00 C ATOM 538 CZ TYR A 37 -9.572 2.716 6.698 1.00 0.00 C ATOM 539 OH TYR A 37 -10.350 3.854 6.757 1.00 0.00 O ATOM 0 H TYR A 37 -5.850 -3.084 7.836 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.015 -0.130 8.218 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.366 -0.720 5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.742 -1.691 6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.312 1.755 6.565 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.851 -0.674 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.709 3.798 6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.253 1.370 6.708 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.297 3.602 6.777 1.00 0.00 H new ATOM 549 N ASN A 38 -8.002 -0.520 9.717 1.00 0.00 N ATOM 550 CA ASN A 38 -9.055 -0.797 10.741 1.00 0.00 C ATOM 551 C ASN A 38 -8.524 -1.814 11.762 1.00 0.00 C ATOM 552 O ASN A 38 -8.016 -1.444 12.803 1.00 0.00 O ATOM 553 CB ASN A 38 -10.334 -1.309 10.054 1.00 0.00 C ATOM 554 CG ASN A 38 -11.415 -1.583 11.105 1.00 0.00 C ATOM 555 OD1 ASN A 38 -11.705 -2.722 11.412 1.00 0.00 O ATOM 556 ND2 ASN A 38 -12.023 -0.580 11.675 1.00 0.00 N ATOM 0 H ASN A 38 -7.652 0.438 9.721 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.304 0.122 11.271 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.692 -0.572 9.335 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.118 -2.220 9.496 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -12.742 -0.752 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.780 0.377 11.418 1.00 0.00 H new ATOM 563 N GLY A 39 -8.631 -3.082 11.471 1.00 0.00 N ATOM 564 CA GLY A 39 -8.130 -4.123 12.415 1.00 0.00 C ATOM 565 C GLY A 39 -7.938 -5.437 11.665 1.00 0.00 C ATOM 566 O GLY A 39 -8.079 -6.509 12.223 1.00 0.00 O ATOM 0 H GLY A 39 -9.047 -3.445 10.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.187 -3.804 12.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.837 -4.259 13.233 1.00 0.00 H new ATOM 570 N LYS A 40 -7.608 -5.358 10.401 1.00 0.00 N ATOM 571 CA LYS A 40 -7.392 -6.593 9.602 1.00 0.00 C ATOM 572 C LYS A 40 -6.095 -6.460 8.811 1.00 0.00 C ATOM 573 O LYS A 40 -5.756 -5.396 8.326 1.00 0.00 O ATOM 574 CB LYS A 40 -8.555 -6.798 8.634 1.00 0.00 C ATOM 575 CG LYS A 40 -9.809 -7.194 9.416 1.00 0.00 C ATOM 576 CD LYS A 40 -11.054 -6.714 8.666 1.00 0.00 C ATOM 577 CE LYS A 40 -12.131 -6.301 9.671 1.00 0.00 C ATOM 578 NZ LYS A 40 -12.687 -7.516 10.332 1.00 0.00 N ATOM 0 H LYS A 40 -7.479 -4.485 9.889 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.330 -7.449 10.274 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.739 -5.883 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.306 -7.573 7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.844 -8.276 9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.781 -6.756 10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.801 -5.872 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.430 -7.507 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.708 -5.629 10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.926 -5.754 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.454 -7.240 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.059 -8.165 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.936 -7.993 10.871 1.00 0.00 H new ATOM 592 N THR A 41 -5.372 -7.536 8.681 1.00 0.00 N ATOM 593 CA THR A 41 -4.086 -7.496 7.922 1.00 0.00 C ATOM 594 C THR A 41 -4.234 -8.296 6.627 1.00 0.00 C ATOM 595 O THR A 41 -4.236 -9.513 6.636 1.00 0.00 O ATOM 596 CB THR A 41 -2.972 -8.106 8.775 1.00 0.00 C ATOM 597 OG1 THR A 41 -3.143 -7.711 10.129 1.00 0.00 O ATOM 598 CG2 THR A 41 -1.613 -7.619 8.267 1.00 0.00 C ATOM 0 H THR A 41 -5.615 -8.447 9.069 1.00 0.00 H new ATOM 0 HA THR A 41 -3.836 -6.462 7.683 1.00 0.00 H new ATOM 0 HB THR A 41 -3.015 -9.193 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.431 -8.103 10.676 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.820 -8.054 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.482 -7.923 7.229 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.567 -6.532 8.335 1.00 0.00 H new ATOM 606 N VAL A 42 -4.359 -7.618 5.514 1.00 0.00 N ATOM 607 CA VAL A 42 -4.507 -8.329 4.211 1.00 0.00 C ATOM 608 C VAL A 42 -3.153 -8.385 3.503 1.00 0.00 C ATOM 609 O VAL A 42 -2.148 -7.947 4.032 1.00 0.00 O ATOM 610 CB VAL A 42 -5.512 -7.580 3.333 1.00 0.00 C ATOM 611 CG1 VAL A 42 -6.899 -7.647 3.974 1.00 0.00 C ATOM 612 CG2 VAL A 42 -5.084 -6.116 3.202 1.00 0.00 C ATOM 0 H VAL A 42 -4.365 -6.600 5.453 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.865 -9.343 4.389 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.544 -8.040 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.615 -7.114 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.206 -8.689 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.866 -7.187 4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.800 -5.582 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.052 -5.657 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.095 -6.065 2.746 1.00 0.00 H new ATOM 622 N ASN A 43 -3.120 -8.925 2.310 1.00 0.00 N ATOM 623 CA ASN A 43 -1.834 -9.017 1.561 1.00 0.00 C ATOM 624 C ASN A 43 -1.739 -7.871 0.551 1.00 0.00 C ATOM 625 O ASN A 43 -2.695 -7.549 -0.128 1.00 0.00 O ATOM 626 CB ASN A 43 -1.772 -10.355 0.820 1.00 0.00 C ATOM 627 CG ASN A 43 -0.325 -10.651 0.420 1.00 0.00 C ATOM 628 OD1 ASN A 43 0.601 -10.182 1.052 1.00 0.00 O ATOM 629 ND2 ASN A 43 -0.090 -11.415 -0.612 1.00 0.00 N ATOM 0 H ASN A 43 -3.931 -9.306 1.823 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.003 -8.947 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.155 -11.153 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.406 -10.322 -0.066 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.871 -11.618 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.867 -11.809 -1.143 1.00 0.00 H new ATOM 636 N LEU A 44 -0.587 -7.261 0.448 1.00 0.00 N ATOM 637 CA LEU A 44 -0.407 -6.136 -0.518 1.00 0.00 C ATOM 638 C LEU A 44 -0.436 -6.689 -1.950 1.00 0.00 C ATOM 639 O LEU A 44 -0.793 -5.995 -2.884 1.00 0.00 O ATOM 640 CB LEU A 44 0.948 -5.454 -0.235 1.00 0.00 C ATOM 641 CG LEU A 44 1.053 -4.066 -0.904 1.00 0.00 C ATOM 642 CD1 LEU A 44 1.194 -4.222 -2.420 1.00 0.00 C ATOM 643 CD2 LEU A 44 -0.180 -3.207 -0.584 1.00 0.00 C ATOM 0 H LEU A 44 0.242 -7.495 0.995 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.209 -5.407 -0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.082 -5.348 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.756 -6.091 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 44 1.936 -3.565 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.267 -3.237 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.093 -4.796 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.322 -4.744 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.081 -2.235 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.076 -3.706 -0.952 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.258 -3.070 0.495 1.00 0.00 H new ATOM 655 N LYS A 45 -0.076 -7.938 -2.128 1.00 0.00 N ATOM 656 CA LYS A 45 -0.083 -8.538 -3.496 1.00 0.00 C ATOM 657 C LYS A 45 -1.485 -9.056 -3.864 1.00 0.00 C ATOM 658 O LYS A 45 -1.647 -9.744 -4.854 1.00 0.00 O ATOM 659 CB LYS A 45 0.908 -9.703 -3.537 1.00 0.00 C ATOM 660 CG LYS A 45 2.324 -9.163 -3.747 1.00 0.00 C ATOM 661 CD LYS A 45 3.341 -10.166 -3.200 1.00 0.00 C ATOM 662 CE LYS A 45 3.739 -11.144 -4.307 1.00 0.00 C ATOM 663 NZ LYS A 45 4.966 -11.885 -3.898 1.00 0.00 N ATOM 0 H LYS A 45 0.222 -8.567 -1.382 1.00 0.00 H new ATOM 0 HA LYS A 45 0.202 -7.769 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.858 -10.270 -2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.646 -10.389 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.504 -8.989 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.437 -8.203 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.222 -9.642 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.915 -10.709 -2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.926 -11.844 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.920 -10.604 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.237 -12.550 -4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.741 -11.211 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.777 -12.412 -3.022 1.00 0.00 H new ATOM 677 N SER A 46 -2.497 -8.735 -3.089 1.00 0.00 N ATOM 678 CA SER A 46 -3.873 -9.213 -3.416 1.00 0.00 C ATOM 679 C SER A 46 -4.704 -8.042 -3.945 1.00 0.00 C ATOM 680 O SER A 46 -4.805 -7.007 -3.312 1.00 0.00 O ATOM 681 CB SER A 46 -4.534 -9.770 -2.157 1.00 0.00 C ATOM 682 OG SER A 46 -5.446 -10.799 -2.522 1.00 0.00 O ATOM 0 H SER A 46 -2.426 -8.164 -2.247 1.00 0.00 H new ATOM 0 HA SER A 46 -3.814 -9.995 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.777 -10.163 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.058 -8.976 -1.625 1.00 0.00 H new ATOM 0 HG SER A 46 -5.871 -11.160 -1.716 1.00 0.00 H new ATOM 688 N ILE A 47 -5.302 -8.203 -5.096 1.00 0.00 N ATOM 689 CA ILE A 47 -6.135 -7.106 -5.674 1.00 0.00 C ATOM 690 C ILE A 47 -7.595 -7.319 -5.267 1.00 0.00 C ATOM 691 O ILE A 47 -8.341 -6.375 -5.086 1.00 0.00 O ATOM 692 CB ILE A 47 -6.014 -7.120 -7.202 1.00 0.00 C ATOM 693 CG1 ILE A 47 -4.541 -6.971 -7.594 1.00 0.00 C ATOM 694 CG2 ILE A 47 -6.814 -5.957 -7.797 1.00 0.00 C ATOM 695 CD1 ILE A 47 -3.918 -8.356 -7.779 1.00 0.00 C ATOM 0 H ILE A 47 -5.250 -9.049 -5.663 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.789 -6.143 -5.299 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.406 -8.062 -7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.456 -6.396 -8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.003 -6.419 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.724 -5.972 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.863 -6.057 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.425 -5.014 -7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.870 -8.249 -8.058 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.990 -8.915 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.450 -8.892 -8.565 1.00 0.00 H new ATOM 707 N MET A 48 -8.002 -8.554 -5.118 1.00 0.00 N ATOM 708 CA MET A 48 -9.410 -8.842 -4.717 1.00 0.00 C ATOM 709 C MET A 48 -9.505 -8.869 -3.190 1.00 0.00 C ATOM 710 O MET A 48 -10.526 -8.538 -2.617 1.00 0.00 O ATOM 711 CB MET A 48 -9.834 -10.201 -5.279 1.00 0.00 C ATOM 712 CG MET A 48 -11.353 -10.347 -5.170 1.00 0.00 C ATOM 713 SD MET A 48 -11.778 -11.066 -3.564 1.00 0.00 S ATOM 714 CE MET A 48 -13.386 -11.748 -4.037 1.00 0.00 C ATOM 0 H MET A 48 -7.417 -9.377 -5.258 1.00 0.00 H new ATOM 0 HA MET A 48 -10.068 -8.067 -5.111 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.523 -10.289 -6.320 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.341 -11.003 -4.730 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.831 -9.374 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.727 -10.981 -5.974 1.00 0.00 H new ATOM 0 HE1 MET A 48 -13.836 -12.247 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.039 -10.942 -4.372 1.00 0.00 H new ATOM 0 HE3 MET A 48 -13.253 -12.466 -4.846 1.00 0.00 H new ATOM 724 N GLY A 49 -8.444 -9.262 -2.529 1.00 0.00 N ATOM 725 CA GLY A 49 -8.458 -9.315 -1.038 1.00 0.00 C ATOM 726 C GLY A 49 -8.643 -7.904 -0.475 1.00 0.00 C ATOM 727 O GLY A 49 -9.201 -7.722 0.591 1.00 0.00 O ATOM 0 H GLY A 49 -7.566 -9.549 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.265 -9.963 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.526 -9.745 -0.671 1.00 0.00 H new ATOM 731 N VAL A 50 -8.179 -6.906 -1.184 1.00 0.00 N ATOM 732 CA VAL A 50 -8.326 -5.502 -0.697 1.00 0.00 C ATOM 733 C VAL A 50 -9.783 -5.048 -0.863 1.00 0.00 C ATOM 734 O VAL A 50 -10.253 -4.181 -0.151 1.00 0.00 O ATOM 735 CB VAL A 50 -7.385 -4.584 -1.496 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.748 -4.621 -2.990 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.499 -3.147 -0.969 1.00 0.00 C ATOM 0 H VAL A 50 -7.704 -7.004 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.061 -5.449 0.359 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.360 -4.935 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.075 -3.967 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.652 -5.641 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.775 -4.281 -3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.832 -2.498 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.526 -2.799 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.220 -3.123 0.085 1.00 0.00 H new ATOM 747 N VAL A 51 -10.498 -5.628 -1.797 1.00 0.00 N ATOM 748 CA VAL A 51 -11.922 -5.232 -2.011 1.00 0.00 C ATOM 749 C VAL A 51 -12.736 -5.570 -0.758 1.00 0.00 C ATOM 750 O VAL A 51 -13.689 -4.888 -0.427 1.00 0.00 O ATOM 751 CB VAL A 51 -12.491 -5.990 -3.214 1.00 0.00 C ATOM 752 CG1 VAL A 51 -13.914 -5.504 -3.503 1.00 0.00 C ATOM 753 CG2 VAL A 51 -11.613 -5.738 -4.443 1.00 0.00 C ATOM 0 H VAL A 51 -10.155 -6.359 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.977 -4.160 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.508 -7.056 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.316 -6.045 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -14.544 -5.684 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.896 -4.437 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.020 -6.278 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.594 -4.671 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.599 -6.085 -4.243 1.00 0.00 H new ATOM 763 N SER A 52 -12.368 -6.617 -0.063 1.00 0.00 N ATOM 764 CA SER A 52 -13.119 -7.003 1.170 1.00 0.00 C ATOM 765 C SER A 52 -12.988 -5.893 2.213 1.00 0.00 C ATOM 766 O SER A 52 -13.892 -5.655 2.994 1.00 0.00 O ATOM 767 CB SER A 52 -12.545 -8.302 1.733 1.00 0.00 C ATOM 768 OG SER A 52 -11.176 -8.109 2.059 1.00 0.00 O ATOM 0 H SER A 52 -11.580 -7.221 -0.296 1.00 0.00 H new ATOM 0 HA SER A 52 -14.171 -7.149 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.102 -8.605 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.647 -9.105 1.003 1.00 0.00 H new ATOM 0 HG SER A 52 -10.658 -7.984 1.236 1.00 0.00 H new ATOM 774 N LEU A 53 -11.870 -5.212 2.230 1.00 0.00 N ATOM 775 CA LEU A 53 -11.672 -4.113 3.220 1.00 0.00 C ATOM 776 C LEU A 53 -12.654 -2.978 2.925 1.00 0.00 C ATOM 777 O LEU A 53 -13.371 -2.523 3.798 1.00 0.00 O ATOM 778 CB LEU A 53 -10.239 -3.587 3.118 1.00 0.00 C ATOM 779 CG LEU A 53 -9.316 -4.449 3.979 1.00 0.00 C ATOM 780 CD1 LEU A 53 -7.865 -4.021 3.758 1.00 0.00 C ATOM 781 CD2 LEU A 53 -9.680 -4.267 5.454 1.00 0.00 C ATOM 0 H LEU A 53 -11.085 -5.371 1.599 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.849 -4.494 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.907 -3.605 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.197 -2.549 3.448 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.433 -5.496 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.207 -4.636 4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.604 -4.148 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.748 -2.974 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.023 -4.881 6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.562 -3.219 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.715 -4.571 5.614 1.00 0.00 H new ATOM 793 N GLY A 54 -12.691 -2.519 1.700 1.00 0.00 N ATOM 794 CA GLY A 54 -13.625 -1.413 1.335 1.00 0.00 C ATOM 795 C GLY A 54 -13.133 -0.104 1.955 1.00 0.00 C ATOM 796 O GLY A 54 -13.839 0.536 2.712 1.00 0.00 O ATOM 0 H GLY A 54 -12.112 -2.864 0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.683 -1.315 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.631 -1.640 1.689 1.00 0.00 H new ATOM 800 N ILE A 55 -11.927 0.296 1.638 1.00 0.00 N ATOM 801 CA ILE A 55 -11.380 1.561 2.200 1.00 0.00 C ATOM 802 C ILE A 55 -11.898 2.743 1.382 1.00 0.00 C ATOM 803 O ILE A 55 -12.028 2.668 0.175 1.00 0.00 O ATOM 804 CB ILE A 55 -9.852 1.532 2.138 1.00 0.00 C ATOM 805 CG1 ILE A 55 -9.337 0.251 2.803 1.00 0.00 C ATOM 806 CG2 ILE A 55 -9.288 2.747 2.876 1.00 0.00 C ATOM 807 CD1 ILE A 55 -7.832 0.121 2.565 1.00 0.00 C ATOM 0 H ILE A 55 -11.297 -0.204 1.011 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.698 1.665 3.237 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.532 1.556 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.546 0.275 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.856 -0.617 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.199 2.726 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -9.653 3.660 2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.609 2.722 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.466 -0.790 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.635 0.078 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.320 0.983 2.993 1.00 0.00 H new ATOM 819 N ALA A 56 -12.195 3.829 2.038 1.00 0.00 N ATOM 820 CA ALA A 56 -12.709 5.033 1.320 1.00 0.00 C ATOM 821 C ALA A 56 -11.687 6.167 1.426 1.00 0.00 C ATOM 822 O ALA A 56 -10.590 5.978 1.918 1.00 0.00 O ATOM 823 CB ALA A 56 -14.031 5.477 1.950 1.00 0.00 C ATOM 0 H ALA A 56 -12.104 3.937 3.048 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.871 4.788 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -14.407 6.356 1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.760 4.670 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.870 5.722 3.000 1.00 0.00 H new ATOM 829 N LYS A 57 -12.040 7.341 0.966 1.00 0.00 N ATOM 830 CA LYS A 57 -11.092 8.493 1.036 1.00 0.00 C ATOM 831 C LYS A 57 -10.860 8.876 2.500 1.00 0.00 C ATOM 832 O LYS A 57 -11.663 8.572 3.363 1.00 0.00 O ATOM 833 CB LYS A 57 -11.683 9.687 0.281 1.00 0.00 C ATOM 834 CG LYS A 57 -13.066 10.029 0.847 1.00 0.00 C ATOM 835 CD LYS A 57 -13.252 11.549 0.873 1.00 0.00 C ATOM 836 CE LYS A 57 -14.012 11.954 2.137 1.00 0.00 C ATOM 837 NZ LYS A 57 -13.121 11.802 3.322 1.00 0.00 N ATOM 0 H LYS A 57 -12.945 7.551 0.545 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.143 8.211 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.021 10.548 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.762 9.454 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.843 9.568 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.168 9.623 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.281 12.044 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.800 11.873 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.353 12.986 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.901 11.334 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.440 12.439 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.156 10.819 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.145 12.042 3.056 1.00 0.00 H new ATOM 851 N GLY A 58 -9.767 9.540 2.782 1.00 0.00 N ATOM 852 CA GLY A 58 -9.473 9.947 4.189 1.00 0.00 C ATOM 853 C GLY A 58 -9.338 8.700 5.065 1.00 0.00 C ATOM 854 O GLY A 58 -9.932 8.606 6.123 1.00 0.00 O ATOM 0 H GLY A 58 -9.065 9.818 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.553 10.531 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.271 10.586 4.568 1.00 0.00 H new ATOM 858 N ALA A 59 -8.562 7.741 4.627 1.00 0.00 N ATOM 859 CA ALA A 59 -8.383 6.493 5.424 1.00 0.00 C ATOM 860 C ALA A 59 -6.914 6.352 5.831 1.00 0.00 C ATOM 861 O ALA A 59 -6.019 6.542 5.029 1.00 0.00 O ATOM 862 CB ALA A 59 -8.799 5.287 4.576 1.00 0.00 C ATOM 0 H ALA A 59 -8.044 7.770 3.749 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.002 6.540 6.320 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.669 4.373 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.845 5.389 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.179 5.240 3.681 1.00 0.00 H new ATOM 868 N GLU A 60 -6.665 6.016 7.071 1.00 0.00 N ATOM 869 CA GLU A 60 -5.258 5.857 7.541 1.00 0.00 C ATOM 870 C GLU A 60 -4.832 4.398 7.376 1.00 0.00 C ATOM 871 O GLU A 60 -5.440 3.499 7.929 1.00 0.00 O ATOM 872 CB GLU A 60 -5.164 6.253 9.016 1.00 0.00 C ATOM 873 CG GLU A 60 -5.082 7.777 9.132 1.00 0.00 C ATOM 874 CD GLU A 60 -5.674 8.219 10.470 1.00 0.00 C ATOM 875 OE1 GLU A 60 -5.249 7.695 11.486 1.00 0.00 O ATOM 876 OE2 GLU A 60 -6.543 9.076 10.457 1.00 0.00 O ATOM 0 H GLU A 60 -7.379 5.845 7.779 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.602 6.498 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.034 5.883 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.286 5.795 9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.045 8.103 9.056 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.624 8.245 8.310 1.00 0.00 H new ATOM 883 N ILE A 61 -3.794 4.155 6.616 1.00 0.00 N ATOM 884 CA ILE A 61 -3.323 2.755 6.406 1.00 0.00 C ATOM 885 C ILE A 61 -1.932 2.582 7.014 1.00 0.00 C ATOM 886 O ILE A 61 -1.235 3.543 7.278 1.00 0.00 O ATOM 887 CB ILE A 61 -3.264 2.458 4.906 1.00 0.00 C ATOM 888 CG1 ILE A 61 -2.415 3.523 4.207 1.00 0.00 C ATOM 889 CG2 ILE A 61 -4.679 2.473 4.325 1.00 0.00 C ATOM 890 CD1 ILE A 61 -1.829 2.945 2.918 1.00 0.00 C ATOM 0 H ILE A 61 -3.252 4.870 6.131 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.015 2.065 6.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.818 1.476 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.024 4.398 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.613 3.854 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.636 2.261 3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.284 1.714 4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.127 3.454 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.225 3.704 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.206 2.083 3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.639 2.636 2.257 1.00 0.00 H new ATOM 902 N THR A 62 -1.525 1.358 7.232 1.00 0.00 N ATOM 903 CA THR A 62 -0.178 1.102 7.820 1.00 0.00 C ATOM 904 C THR A 62 0.515 -0.005 7.024 1.00 0.00 C ATOM 905 O THR A 62 0.112 -1.152 7.061 1.00 0.00 O ATOM 906 CB THR A 62 -0.334 0.662 9.278 1.00 0.00 C ATOM 907 OG1 THR A 62 -1.172 1.583 9.962 1.00 0.00 O ATOM 908 CG2 THR A 62 1.038 0.621 9.951 1.00 0.00 C ATOM 0 H THR A 62 -2.071 0.521 7.027 1.00 0.00 H new ATOM 0 HA THR A 62 0.420 2.012 7.779 1.00 0.00 H new ATOM 0 HB THR A 62 -0.782 -0.331 9.312 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.274 1.302 10.895 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.925 0.308 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.680 -0.087 9.426 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.489 1.613 9.919 1.00 0.00 H new ATOM 916 N ILE A 63 1.552 0.333 6.301 1.00 0.00 N ATOM 917 CA ILE A 63 2.274 -0.693 5.493 1.00 0.00 C ATOM 918 C ILE A 63 3.427 -1.275 6.315 1.00 0.00 C ATOM 919 O ILE A 63 4.056 -0.586 7.095 1.00 0.00 O ATOM 920 CB ILE A 63 2.827 -0.044 4.223 1.00 0.00 C ATOM 921 CG1 ILE A 63 1.688 0.643 3.465 1.00 0.00 C ATOM 922 CG2 ILE A 63 3.458 -1.115 3.330 1.00 0.00 C ATOM 923 CD1 ILE A 63 2.262 1.437 2.290 1.00 0.00 C ATOM 0 H ILE A 63 1.930 1.278 6.236 1.00 0.00 H new ATOM 0 HA ILE A 63 1.585 -1.493 5.222 1.00 0.00 H new ATOM 0 HB ILE A 63 3.583 0.693 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.978 -0.100 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.141 1.307 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.851 -0.650 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.269 -1.605 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.704 -1.854 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.451 1.926 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.955 2.191 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.790 0.761 1.617 1.00 0.00 H new ATOM 935 N SER A 64 3.707 -2.542 6.138 1.00 0.00 N ATOM 936 CA SER A 64 4.818 -3.183 6.899 1.00 0.00 C ATOM 937 C SER A 64 5.517 -4.211 6.007 1.00 0.00 C ATOM 938 O SER A 64 4.948 -5.227 5.655 1.00 0.00 O ATOM 939 CB SER A 64 4.253 -3.884 8.135 1.00 0.00 C ATOM 940 OG SER A 64 2.957 -4.387 7.839 1.00 0.00 O ATOM 0 H SER A 64 3.211 -3.161 5.496 1.00 0.00 H new ATOM 0 HA SER A 64 5.533 -2.421 7.209 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.911 -4.698 8.438 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.203 -3.187 8.971 1.00 0.00 H new ATOM 0 HG SER A 64 2.593 -4.838 8.629 1.00 0.00 H new ATOM 946 N ALA A 65 6.746 -3.951 5.639 1.00 0.00 N ATOM 947 CA ALA A 65 7.492 -4.905 4.769 1.00 0.00 C ATOM 948 C ALA A 65 8.531 -5.651 5.606 1.00 0.00 C ATOM 949 O ALA A 65 9.208 -5.069 6.433 1.00 0.00 O ATOM 950 CB ALA A 65 8.196 -4.133 3.651 1.00 0.00 C ATOM 0 H ALA A 65 7.265 -3.115 5.906 1.00 0.00 H new ATOM 0 HA ALA A 65 6.795 -5.620 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.741 -4.830 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.455 -3.601 3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.893 -3.417 4.086 1.00 0.00 H new ATOM 956 N SER A 66 8.660 -6.936 5.397 1.00 0.00 N ATOM 957 CA SER A 66 9.653 -7.732 6.176 1.00 0.00 C ATOM 958 C SER A 66 10.270 -8.803 5.274 1.00 0.00 C ATOM 959 O SER A 66 9.621 -9.764 4.905 1.00 0.00 O ATOM 960 CB SER A 66 8.951 -8.402 7.358 1.00 0.00 C ATOM 961 OG SER A 66 8.465 -7.402 8.243 1.00 0.00 O ATOM 0 H SER A 66 8.118 -7.469 4.717 1.00 0.00 H new ATOM 0 HA SER A 66 10.439 -7.073 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.127 -9.021 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.644 -9.062 7.881 1.00 0.00 H new ATOM 0 HG SER A 66 8.013 -7.828 9.001 1.00 0.00 H new ATOM 967 N GLY A 67 11.519 -8.642 4.918 1.00 0.00 N ATOM 968 CA GLY A 67 12.190 -9.644 4.039 1.00 0.00 C ATOM 969 C GLY A 67 13.665 -9.273 3.875 1.00 0.00 C ATOM 970 O GLY A 67 14.353 -8.991 4.839 1.00 0.00 O ATOM 0 H GLY A 67 12.104 -7.856 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.101 -10.640 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.701 -9.674 3.065 1.00 0.00 H new ATOM 974 N ALA A 68 14.153 -9.269 2.660 1.00 0.00 N ATOM 975 CA ALA A 68 15.584 -8.915 2.424 1.00 0.00 C ATOM 976 C ALA A 68 15.678 -7.459 1.968 1.00 0.00 C ATOM 977 O ALA A 68 16.442 -6.679 2.506 1.00 0.00 O ATOM 978 CB ALA A 68 16.165 -9.827 1.342 1.00 0.00 C ATOM 0 H ALA A 68 13.620 -9.496 1.820 1.00 0.00 H new ATOM 0 HA ALA A 68 16.148 -9.045 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.210 -9.568 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.097 -10.865 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.603 -9.698 0.417 1.00 0.00 H new ATOM 984 N ASP A 69 14.903 -7.087 0.980 1.00 0.00 N ATOM 985 CA ASP A 69 14.937 -5.681 0.481 1.00 0.00 C ATOM 986 C ASP A 69 13.767 -4.898 1.083 1.00 0.00 C ATOM 987 O ASP A 69 13.162 -4.070 0.428 1.00 0.00 O ATOM 988 CB ASP A 69 14.833 -5.670 -1.049 1.00 0.00 C ATOM 989 CG ASP A 69 13.638 -6.516 -1.501 1.00 0.00 C ATOM 990 OD1 ASP A 69 12.660 -6.566 -0.773 1.00 0.00 O ATOM 991 OD2 ASP A 69 13.721 -7.098 -2.569 1.00 0.00 O ATOM 0 H ASP A 69 14.246 -7.700 0.497 1.00 0.00 H new ATOM 0 HA ASP A 69 15.877 -5.215 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.720 -4.646 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.752 -6.061 -1.487 1.00 0.00 H new ATOM 996 N GLU A 70 13.446 -5.159 2.325 1.00 0.00 N ATOM 997 CA GLU A 70 12.315 -4.437 2.980 1.00 0.00 C ATOM 998 C GLU A 70 12.618 -2.936 3.030 1.00 0.00 C ATOM 999 O GLU A 70 11.721 -2.114 3.028 1.00 0.00 O ATOM 1000 CB GLU A 70 12.125 -4.970 4.404 1.00 0.00 C ATOM 1001 CG GLU A 70 13.436 -4.837 5.186 1.00 0.00 C ATOM 1002 CD GLU A 70 13.192 -5.186 6.655 1.00 0.00 C ATOM 1003 OE1 GLU A 70 12.413 -6.090 6.907 1.00 0.00 O ATOM 1004 OE2 GLU A 70 13.790 -4.542 7.502 1.00 0.00 O ATOM 0 H GLU A 70 13.920 -5.843 2.915 1.00 0.00 H new ATOM 0 HA GLU A 70 11.403 -4.600 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.333 -4.416 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.813 -6.014 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.192 -5.500 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.820 -3.821 5.102 1.00 0.00 H new ATOM 1011 N ASN A 71 13.876 -2.576 3.080 1.00 0.00 N ATOM 1012 CA ASN A 71 14.248 -1.131 3.136 1.00 0.00 C ATOM 1013 C ASN A 71 13.944 -0.462 1.792 1.00 0.00 C ATOM 1014 O ASN A 71 13.329 0.585 1.738 1.00 0.00 O ATOM 1015 CB ASN A 71 15.741 -1.003 3.441 1.00 0.00 C ATOM 1016 CG ASN A 71 15.953 -0.964 4.955 1.00 0.00 C ATOM 1017 OD1 ASN A 71 16.562 -1.851 5.519 1.00 0.00 O ATOM 1018 ND2 ASN A 71 15.473 0.037 5.643 1.00 0.00 N ATOM 0 H ASN A 71 14.664 -3.224 3.084 1.00 0.00 H new ATOM 0 HA ASN A 71 13.669 -0.641 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.284 -1.843 3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.140 -0.097 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.610 0.074 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.962 0.782 5.170 1.00 0.00 H new ATOM 1025 N ASP A 72 14.378 -1.055 0.710 1.00 0.00 N ATOM 1026 CA ASP A 72 14.126 -0.455 -0.635 1.00 0.00 C ATOM 1027 C ASP A 72 12.643 -0.581 -1.010 1.00 0.00 C ATOM 1028 O ASP A 72 12.169 0.096 -1.902 1.00 0.00 O ATOM 1029 CB ASP A 72 14.976 -1.182 -1.679 1.00 0.00 C ATOM 1030 CG ASP A 72 16.445 -1.155 -1.252 1.00 0.00 C ATOM 1031 OD1 ASP A 72 16.891 -0.114 -0.799 1.00 0.00 O ATOM 1032 OD2 ASP A 72 17.099 -2.176 -1.386 1.00 0.00 O ATOM 0 H ASP A 72 14.898 -1.932 0.700 1.00 0.00 H new ATOM 0 HA ASP A 72 14.393 0.601 -0.606 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.637 -2.212 -1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.861 -0.706 -2.653 1.00 0.00 H new ATOM 1037 N ALA A 73 11.910 -1.448 -0.353 1.00 0.00 N ATOM 1038 CA ALA A 73 10.466 -1.624 -0.689 1.00 0.00 C ATOM 1039 C ALA A 73 9.618 -0.526 -0.033 1.00 0.00 C ATOM 1040 O ALA A 73 8.732 0.031 -0.657 1.00 0.00 O ATOM 1041 CB ALA A 73 9.996 -2.990 -0.187 1.00 0.00 C ATOM 0 H ALA A 73 12.252 -2.041 0.403 1.00 0.00 H new ATOM 0 HA ALA A 73 10.348 -1.558 -1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.942 -3.124 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.581 -3.775 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.129 -3.046 0.893 1.00 0.00 H new ATOM 1047 N LEU A 74 9.860 -0.230 1.219 1.00 0.00 N ATOM 1048 CA LEU A 74 9.042 0.812 1.917 1.00 0.00 C ATOM 1049 C LEU A 74 9.349 2.210 1.366 1.00 0.00 C ATOM 1050 O LEU A 74 8.460 3.030 1.233 1.00 0.00 O ATOM 1051 CB LEU A 74 9.328 0.775 3.424 1.00 0.00 C ATOM 1052 CG LEU A 74 10.815 1.023 3.686 1.00 0.00 C ATOM 1053 CD1 LEU A 74 11.048 2.512 3.959 1.00 0.00 C ATOM 1054 CD2 LEU A 74 11.259 0.206 4.903 1.00 0.00 C ATOM 0 H LEU A 74 10.587 -0.663 1.788 1.00 0.00 H new ATOM 0 HA LEU A 74 7.988 0.596 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.730 1.531 3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 74 9.035 -0.192 3.833 1.00 0.00 H new ATOM 0 HG LEU A 74 11.393 0.721 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.108 2.686 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.731 3.094 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.471 2.816 4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.318 0.381 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.680 0.509 5.775 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.095 -0.854 4.709 1.00 0.00 H new ATOM 1066 N ASN A 75 10.590 2.495 1.053 1.00 0.00 N ATOM 1067 CA ASN A 75 10.928 3.854 0.522 1.00 0.00 C ATOM 1068 C ASN A 75 10.590 3.936 -0.969 1.00 0.00 C ATOM 1069 O ASN A 75 10.317 5.002 -1.490 1.00 0.00 O ATOM 1070 CB ASN A 75 12.416 4.163 0.729 1.00 0.00 C ATOM 1071 CG ASN A 75 13.284 2.988 0.278 1.00 0.00 C ATOM 1072 OD1 ASN A 75 12.934 2.268 -0.633 1.00 0.00 O ATOM 1073 ND2 ASN A 75 14.420 2.770 0.884 1.00 0.00 N ATOM 0 H ASN A 75 11.377 1.852 1.141 1.00 0.00 H new ATOM 0 HA ASN A 75 10.337 4.590 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.687 5.057 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.604 4.377 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.013 1.994 0.591 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.714 3.376 1.650 1.00 0.00 H new ATOM 1080 N ALA A 76 10.600 2.824 -1.655 1.00 0.00 N ATOM 1081 CA ALA A 76 10.274 2.836 -3.113 1.00 0.00 C ATOM 1082 C ALA A 76 8.764 3.005 -3.294 1.00 0.00 C ATOM 1083 O ALA A 76 8.308 3.564 -4.274 1.00 0.00 O ATOM 1084 CB ALA A 76 10.720 1.517 -3.747 1.00 0.00 C ATOM 0 H ALA A 76 10.820 1.906 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 76 10.794 3.664 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.482 1.526 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.795 1.396 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.201 0.688 -3.266 1.00 0.00 H new ATOM 1090 N LEU A 77 7.988 2.534 -2.352 1.00 0.00 N ATOM 1091 CA LEU A 77 6.505 2.670 -2.456 1.00 0.00 C ATOM 1092 C LEU A 77 6.091 4.062 -1.972 1.00 0.00 C ATOM 1093 O LEU A 77 5.070 4.587 -2.371 1.00 0.00 O ATOM 1094 CB LEU A 77 5.832 1.605 -1.586 1.00 0.00 C ATOM 1095 CG LEU A 77 5.902 0.252 -2.295 1.00 0.00 C ATOM 1096 CD1 LEU A 77 5.957 -0.868 -1.254 1.00 0.00 C ATOM 1097 CD2 LEU A 77 4.660 0.071 -3.171 1.00 0.00 C ATOM 0 H LEU A 77 8.319 2.059 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 77 6.197 2.537 -3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.326 1.546 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.793 1.876 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 77 6.796 0.214 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.007 -1.832 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.840 -0.740 -0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.063 -0.830 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.709 -0.893 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.767 0.109 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.619 0.868 -3.913 1.00 0.00 H new ATOM 1109 N GLU A 78 6.880 4.659 -1.114 1.00 0.00 N ATOM 1110 CA GLU A 78 6.550 6.014 -0.596 1.00 0.00 C ATOM 1111 C GLU A 78 6.778 7.050 -1.704 1.00 0.00 C ATOM 1112 O GLU A 78 5.963 7.928 -1.918 1.00 0.00 O ATOM 1113 CB GLU A 78 7.460 6.319 0.601 1.00 0.00 C ATOM 1114 CG GLU A 78 7.150 7.716 1.165 1.00 0.00 C ATOM 1115 CD GLU A 78 8.441 8.533 1.272 1.00 0.00 C ATOM 1116 OE1 GLU A 78 8.945 8.944 0.239 1.00 0.00 O ATOM 1117 OE2 GLU A 78 8.902 8.733 2.383 1.00 0.00 O ATOM 0 H GLU A 78 7.745 4.259 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 78 5.507 6.054 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.317 5.566 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.505 6.267 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.437 8.229 0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.684 7.626 2.146 1.00 0.00 H new ATOM 1124 N GLU A 79 7.880 6.955 -2.405 1.00 0.00 N ATOM 1125 CA GLU A 79 8.166 7.934 -3.497 1.00 0.00 C ATOM 1126 C GLU A 79 7.189 7.715 -4.654 1.00 0.00 C ATOM 1127 O GLU A 79 6.825 8.644 -5.350 1.00 0.00 O ATOM 1128 CB GLU A 79 9.606 7.751 -3.990 1.00 0.00 C ATOM 1129 CG GLU A 79 9.827 6.302 -4.442 1.00 0.00 C ATOM 1130 CD GLU A 79 9.835 6.228 -5.972 1.00 0.00 C ATOM 1131 OE1 GLU A 79 10.311 7.167 -6.589 1.00 0.00 O ATOM 1132 OE2 GLU A 79 9.368 5.232 -6.499 1.00 0.00 O ATOM 0 H GLU A 79 8.595 6.240 -2.268 1.00 0.00 H new ATOM 0 HA GLU A 79 8.045 8.947 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.805 8.433 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.306 8.003 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.772 5.929 -4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.039 5.663 -4.043 1.00 0.00 H new ATOM 1139 N THR A 80 6.759 6.495 -4.864 1.00 0.00 N ATOM 1140 CA THR A 80 5.800 6.215 -5.974 1.00 0.00 C ATOM 1141 C THR A 80 4.398 6.682 -5.571 1.00 0.00 C ATOM 1142 O THR A 80 3.587 7.028 -6.409 1.00 0.00 O ATOM 1143 CB THR A 80 5.771 4.711 -6.259 1.00 0.00 C ATOM 1144 OG1 THR A 80 7.101 4.220 -6.342 1.00 0.00 O ATOM 1145 CG2 THR A 80 5.048 4.454 -7.582 1.00 0.00 C ATOM 0 H THR A 80 7.032 5.681 -4.313 1.00 0.00 H new ATOM 0 HA THR A 80 6.119 6.750 -6.869 1.00 0.00 H new ATOM 0 HB THR A 80 5.244 4.199 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.726 4.974 -6.390 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.028 3.383 -7.784 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.027 4.830 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.573 4.965 -8.389 1.00 0.00 H new ATOM 1153 N MET A 81 4.108 6.687 -4.294 1.00 0.00 N ATOM 1154 CA MET A 81 2.761 7.124 -3.825 1.00 0.00 C ATOM 1155 C MET A 81 2.616 8.638 -4.002 1.00 0.00 C ATOM 1156 O MET A 81 1.568 9.127 -4.377 1.00 0.00 O ATOM 1157 CB MET A 81 2.599 6.769 -2.344 1.00 0.00 C ATOM 1158 CG MET A 81 1.126 6.435 -2.043 1.00 0.00 C ATOM 1159 SD MET A 81 0.980 4.726 -1.454 1.00 0.00 S ATOM 1160 CE MET A 81 0.422 5.112 0.224 1.00 0.00 C ATOM 0 H MET A 81 4.751 6.405 -3.554 1.00 0.00 H new ATOM 0 HA MET A 81 1.994 6.617 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 81 3.232 5.918 -2.094 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.926 7.603 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.736 7.121 -1.291 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.524 6.571 -2.941 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.970 4.499 0.940 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.604 6.166 0.435 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.645 4.904 0.310 1.00 0.00 H new ATOM 1170 N LYS A 82 3.658 9.379 -3.726 1.00 0.00 N ATOM 1171 CA LYS A 82 3.587 10.864 -3.868 1.00 0.00 C ATOM 1172 C LYS A 82 3.646 11.247 -5.349 1.00 0.00 C ATOM 1173 O LYS A 82 3.077 12.240 -5.763 1.00 0.00 O ATOM 1174 CB LYS A 82 4.765 11.504 -3.132 1.00 0.00 C ATOM 1175 CG LYS A 82 4.708 11.126 -1.650 1.00 0.00 C ATOM 1176 CD LYS A 82 5.254 12.279 -0.806 1.00 0.00 C ATOM 1177 CE LYS A 82 4.864 12.071 0.658 1.00 0.00 C ATOM 1178 NZ LYS A 82 5.896 11.235 1.332 1.00 0.00 N ATOM 0 H LYS A 82 4.557 9.018 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 82 2.650 11.220 -3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.706 11.168 -3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.731 12.588 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.681 10.904 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.292 10.223 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.339 12.330 -0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.857 13.228 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.774 13.033 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.890 11.586 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.632 11.093 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.961 10.313 0.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.817 11.715 1.284 1.00 0.00 H new ATOM 1192 N SER A 83 4.331 10.468 -6.149 1.00 0.00 N ATOM 1193 CA SER A 83 4.432 10.784 -7.605 1.00 0.00 C ATOM 1194 C SER A 83 3.040 10.740 -8.239 1.00 0.00 C ATOM 1195 O SER A 83 2.764 11.438 -9.197 1.00 0.00 O ATOM 1196 CB SER A 83 5.336 9.757 -8.288 1.00 0.00 C ATOM 1197 OG SER A 83 4.852 8.449 -8.016 1.00 0.00 O ATOM 0 H SER A 83 4.825 9.626 -5.855 1.00 0.00 H new ATOM 0 HA SER A 83 4.854 11.781 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.357 9.933 -9.364 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.360 9.860 -7.928 1.00 0.00 H new ATOM 0 HG SER A 83 4.169 8.492 -7.314 1.00 0.00 H new ATOM 1203 N GLU A 84 2.162 9.926 -7.711 1.00 0.00 N ATOM 1204 CA GLU A 84 0.783 9.830 -8.278 1.00 0.00 C ATOM 1205 C GLU A 84 -0.156 10.773 -7.522 1.00 0.00 C ATOM 1206 O GLU A 84 -1.142 11.240 -8.060 1.00 0.00 O ATOM 1207 CB GLU A 84 0.276 8.392 -8.143 1.00 0.00 C ATOM 1208 CG GLU A 84 0.657 7.594 -9.392 1.00 0.00 C ATOM 1209 CD GLU A 84 2.040 6.972 -9.199 1.00 0.00 C ATOM 1210 OE1 GLU A 84 2.188 6.176 -8.287 1.00 0.00 O ATOM 1211 OE2 GLU A 84 2.929 7.302 -9.968 1.00 0.00 O ATOM 0 H GLU A 84 2.341 9.322 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 84 0.807 10.113 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.706 7.926 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.806 8.388 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.081 6.814 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.658 8.245 -10.266 1.00 0.00 H new ATOM 1218 N GLY A 85 0.142 11.054 -6.278 1.00 0.00 N ATOM 1219 CA GLY A 85 -0.730 11.963 -5.480 1.00 0.00 C ATOM 1220 C GLY A 85 -1.841 11.150 -4.813 1.00 0.00 C ATOM 1221 O GLY A 85 -2.964 11.602 -4.691 1.00 0.00 O ATOM 0 H GLY A 85 0.955 10.690 -5.781 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.139 12.480 -4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.162 12.728 -6.125 1.00 0.00 H new ATOM 1225 N LEU A 86 -1.532 9.953 -4.384 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.562 9.099 -3.722 1.00 0.00 C ATOM 1227 C LEU A 86 -2.660 9.473 -2.242 1.00 0.00 C ATOM 1228 O LEU A 86 -3.736 9.533 -1.679 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.163 7.627 -3.850 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.099 7.240 -5.327 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -1.062 6.132 -5.520 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -3.472 6.738 -5.782 1.00 0.00 C ATOM 0 H LEU A 86 -0.607 9.530 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.528 9.257 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.195 7.460 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.885 6.997 -3.330 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.815 8.110 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.016 5.856 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.084 6.488 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.346 5.261 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.428 6.462 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.756 5.868 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.212 7.527 -5.645 1.00 0.00 H new ATOM 1244 N GLY A 87 -1.541 9.726 -1.611 1.00 0.00 N ATOM 1245 CA GLY A 87 -1.555 10.099 -0.167 1.00 0.00 C ATOM 1246 C GLY A 87 -0.166 10.581 0.251 1.00 0.00 C ATOM 1247 O GLY A 87 0.662 10.907 -0.579 1.00 0.00 O ATOM 0 H GLY A 87 -0.615 9.690 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.291 10.883 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.851 9.242 0.438 1.00 0.00 H new ATOM 1251 N GLU A 88 0.096 10.628 1.533 1.00 0.00 N ATOM 1252 CA GLU A 88 1.432 11.088 2.018 1.00 0.00 C ATOM 1253 C GLU A 88 1.473 11.018 3.545 1.00 0.00 C ATOM 1254 O GLU A 88 2.166 10.155 4.061 1.00 0.00 O ATOM 1255 CB GLU A 88 1.685 12.530 1.561 1.00 0.00 C ATOM 1256 CG GLU A 88 0.496 13.418 1.942 1.00 0.00 C ATOM 1257 CD GLU A 88 0.506 14.680 1.077 1.00 0.00 C ATOM 1258 OE1 GLU A 88 1.511 15.355 0.978 1.00 0.00 O ATOM 1259 OE2 GLU A 88 -0.578 15.029 0.440 1.00 0.00 O ATOM 1260 OXT GLU A 88 0.810 11.825 4.176 1.00 0.00 O ATOM 0 H GLU A 88 -0.562 10.366 2.267 1.00 0.00 H new ATOM 0 HA GLU A 88 2.206 10.442 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.596 12.911 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.838 12.557 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.438 12.874 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.552 13.686 2.997 1.00 0.00 H new