USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 706 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 67 SER OG : rot 66:sc= 0.858 USER MOD Set 1.2: A 86 ASN :FLIP amide:sc= -3.76! C(o=-6.5!,f=-2.9!) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0.237 USER MOD Set 2.2: A 31 THR OG1 : rot -98:sc= 0.106 USER MOD Set 3.1: A 30 ASN : amide:sc= 0.847 X(o=1.8,f=1.7) USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0.992 USER MOD Set 4.1: A 7 THR OG1 : rot -65:sc= 1.06 USER MOD Set 4.2: A 93 ASN : amide:sc= -2 K(o=-0.93,f=-6.1!) USER MOD Set 5.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 6 GLN :FLIP amide:sc= -0.108 F(o=-3.3,f=-0.11) USER MOD Single : A 5 SER OG : rot -37:sc= 0 USER MOD Single : A 9 TYR OH : rot -9:sc= 1.04 USER MOD Single : A 10 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.7!) USER MOD Single : A 11 SER OG : rot 175:sc= -0.221 USER MOD Single : A 14 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.32) USER MOD Single : A 16 SER OG : rot 79:sc= 1.53 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 20 SER OG : rot -24:sc= 0.632 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0131 K(o=-0.013,f=-2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.962 F(o=-2!,f=-0.96) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.713 K(o=-0.71,f=-1.5) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 61 THR OG1 : rot 155:sc= 0.88 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.223 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -96:sc= 1.35 USER MOD Single : A 79 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-1.3!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -44:sc= -0.861 USER MOD Single : A 84 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.000311) USER MOD Single : A 90 HIS : no HE2:sc= -0.729 X(o=-0.73,f=-0.64) USER MOD Single : A 97 THR OG1 : rot -93:sc= -0.133 USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= -0.0446 (180deg=-0.879) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -4.039 -1.952 -11.379 1.00 0.00 N ATOM 23 CA GLY A 2 -3.939 -1.008 -10.286 1.00 0.00 C ATOM 24 C GLY A 2 -5.103 -0.041 -10.218 1.00 0.00 C ATOM 25 O GLY A 2 -6.259 -0.413 -10.413 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.877 -1.557 -9.346 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.012 -0.443 -10.387 1.00 0.00 H new ATOM 29 N LYS A 3 -4.769 1.213 -9.954 1.00 0.00 N ATOM 30 CA LYS A 3 -5.762 2.277 -9.867 1.00 0.00 C ATOM 31 C LYS A 3 -6.991 1.855 -9.060 1.00 0.00 C ATOM 32 O LYS A 3 -8.121 2.170 -9.430 1.00 0.00 O ATOM 33 CB LYS A 3 -6.174 2.714 -11.283 1.00 0.00 C ATOM 34 CG LYS A 3 -5.052 3.553 -11.937 1.00 0.00 C ATOM 35 CD LYS A 3 -5.056 5.007 -11.401 1.00 0.00 C ATOM 36 CE LYS A 3 -4.239 5.940 -12.329 1.00 0.00 C ATOM 37 NZ LYS A 3 -5.177 6.825 -13.076 1.00 0.00 N ATOM 0 H LYS A 3 -3.810 1.522 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.308 3.116 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.384 1.836 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.093 3.298 -11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.085 3.091 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.184 3.561 -13.019 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.082 5.369 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.636 5.029 -10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.543 6.539 -11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.643 5.350 -13.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.636 7.455 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.824 6.243 -13.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.727 7.395 -12.402 1.00 0.00 H new ATOM 51 N PHE A 4 -6.770 1.177 -7.937 1.00 0.00 N ATOM 52 CA PHE A 4 -7.888 0.775 -7.089 1.00 0.00 C ATOM 53 C PHE A 4 -8.614 2.024 -6.594 1.00 0.00 C ATOM 54 O PHE A 4 -9.832 2.026 -6.424 1.00 0.00 O ATOM 55 CB PHE A 4 -7.404 -0.067 -5.890 1.00 0.00 C ATOM 56 CG PHE A 4 -6.685 0.801 -4.872 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.456 1.397 -5.208 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.234 1.003 -3.584 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.777 2.195 -4.273 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.548 1.797 -2.640 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.320 2.400 -2.987 1.00 0.00 C ATOM 0 H PHE A 4 -5.849 0.899 -7.598 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.569 0.158 -7.675 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.255 -0.558 -5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.736 -0.854 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.033 1.240 -6.189 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.179 0.549 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.836 2.653 -4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.962 1.943 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.798 3.016 -2.270 1.00 0.00 H new ATOM 71 N SER A 5 -7.839 3.083 -6.371 1.00 0.00 N ATOM 72 CA SER A 5 -8.378 4.352 -5.892 1.00 0.00 C ATOM 73 C SER A 5 -9.548 4.832 -6.754 1.00 0.00 C ATOM 74 O SER A 5 -10.448 5.511 -6.261 1.00 0.00 O ATOM 75 CB SER A 5 -7.263 5.405 -5.884 1.00 0.00 C ATOM 76 OG SER A 5 -7.552 6.388 -4.897 1.00 0.00 O ATOM 0 H SER A 5 -6.829 3.086 -6.516 1.00 0.00 H new ATOM 0 HA SER A 5 -8.757 4.203 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.303 4.933 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.181 5.872 -6.866 1.00 0.00 H new ATOM 0 HG SER A 5 -8.518 6.554 -4.873 1.00 0.00 H new ATOM 82 N GLN A 6 -9.529 4.486 -8.038 1.00 0.00 N ATOM 83 CA GLN A 6 -10.598 4.906 -8.940 1.00 0.00 C ATOM 84 C GLN A 6 -11.934 4.311 -8.508 1.00 0.00 C ATOM 85 O GLN A 6 -12.989 4.888 -8.771 1.00 0.00 O ATOM 86 CB GLN A 6 -10.286 4.470 -10.384 1.00 0.00 C ATOM 87 CG GLN A 6 -9.228 5.391 -11.008 1.00 0.00 C ATOM 88 CD GLN A 6 -9.148 5.125 -12.515 1.00 0.00 C ATOM 89 OE1 GLN A 6 -8.023 4.730 -13.043 1.00 0.00 O flip ATOM 90 NE2 GLN A 6 -10.126 5.280 -13.219 1.00 0.00 N flip ATOM 0 H GLN A 6 -8.797 3.924 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.664 5.993 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.929 3.440 -10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.197 4.495 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.484 6.434 -10.825 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.257 5.215 -10.544 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.007 5.589 -12.808 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.066 5.101 -14.221 1.00 0.00 H new ATOM 99 N THR A 7 -11.886 3.156 -7.847 1.00 0.00 N ATOM 100 CA THR A 7 -13.104 2.484 -7.384 1.00 0.00 C ATOM 101 C THR A 7 -12.958 2.072 -5.924 1.00 0.00 C ATOM 102 O THR A 7 -13.596 1.123 -5.466 1.00 0.00 O ATOM 103 CB THR A 7 -13.399 1.236 -8.240 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.387 0.439 -7.602 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.122 0.420 -8.418 1.00 0.00 C ATOM 0 H THR A 7 -11.021 2.665 -7.619 1.00 0.00 H new ATOM 0 HA THR A 7 -13.933 3.185 -7.482 1.00 0.00 H new ATOM 0 HB THR A 7 -13.765 1.551 -9.217 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.032 0.093 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.335 -0.461 -9.023 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.368 1.029 -8.916 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.750 0.108 -7.442 1.00 0.00 H new ATOM 113 N CYS A 8 -12.126 2.812 -5.185 1.00 0.00 N ATOM 114 CA CYS A 8 -11.909 2.543 -3.761 1.00 0.00 C ATOM 115 C CYS A 8 -11.926 3.844 -2.972 1.00 0.00 C ATOM 116 O CYS A 8 -11.417 4.869 -3.427 1.00 0.00 O ATOM 117 CB CYS A 8 -10.583 1.808 -3.541 1.00 0.00 C ATOM 118 SG CYS A 8 -10.755 0.096 -4.099 1.00 0.00 S ATOM 0 H CYS A 8 -11.592 3.601 -5.549 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.717 1.903 -3.407 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.783 2.304 -4.090 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.309 1.834 -2.486 1.00 0.00 H new ATOM 123 N TYR A 9 -12.528 3.794 -1.785 1.00 0.00 N ATOM 124 CA TYR A 9 -12.629 4.969 -0.918 1.00 0.00 C ATOM 125 C TYR A 9 -12.479 4.562 0.544 1.00 0.00 C ATOM 126 O TYR A 9 -12.497 3.375 0.870 1.00 0.00 O ATOM 127 CB TYR A 9 -13.979 5.661 -1.135 1.00 0.00 C ATOM 128 CG TYR A 9 -15.110 4.703 -0.823 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.544 3.777 -1.797 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.736 4.737 0.442 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.601 2.887 -1.505 1.00 0.00 C ATOM 132 CE2 TYR A 9 -16.791 3.846 0.734 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.225 2.923 -0.239 1.00 0.00 C ATOM 134 OH TYR A 9 -18.325 2.127 0.010 1.00 0.00 O ATOM 0 H TYR A 9 -12.954 2.951 -1.400 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.828 5.663 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.052 6.542 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.058 6.006 -2.166 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.067 3.749 -2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.407 5.446 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.932 2.179 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.266 3.871 1.704 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.627 1.716 -0.827 1.00 0.00 H new ATOM 144 N ASN A 10 -12.309 5.554 1.414 1.00 0.00 N ATOM 145 CA ASN A 10 -12.133 5.297 2.841 1.00 0.00 C ATOM 146 C ASN A 10 -10.907 4.424 3.070 1.00 0.00 C ATOM 147 O ASN A 10 -10.926 3.510 3.895 1.00 0.00 O ATOM 148 CB ASN A 10 -13.373 4.610 3.422 1.00 0.00 C ATOM 149 CG ASN A 10 -13.236 4.499 4.941 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.189 4.773 5.492 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.262 4.109 5.646 1.00 0.00 N ATOM 0 H ASN A 10 -12.289 6.541 1.157 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.992 6.253 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.268 5.178 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.490 3.619 2.984 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.185 4.034 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -15.141 3.879 5.183 1.00 0.00 H new ATOM 158 N SER A 11 -9.838 4.715 2.332 1.00 0.00 N ATOM 159 CA SER A 11 -8.602 3.953 2.462 1.00 0.00 C ATOM 160 C SER A 11 -7.888 4.319 3.758 1.00 0.00 C ATOM 161 O SER A 11 -8.141 5.372 4.343 1.00 0.00 O ATOM 162 CB SER A 11 -7.690 4.212 1.256 1.00 0.00 C ATOM 163 OG SER A 11 -7.676 5.601 0.966 1.00 0.00 O ATOM 0 H SER A 11 -9.804 5.467 1.644 1.00 0.00 H new ATOM 0 HA SER A 11 -8.847 2.891 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.679 3.863 1.469 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.045 3.652 0.391 1.00 0.00 H new ATOM 0 HG SER A 11 -7.035 5.778 0.246 1.00 0.00 H new ATOM 169 N ALA A 12 -7.002 3.435 4.205 1.00 0.00 N ATOM 170 CA ALA A 12 -6.258 3.666 5.438 1.00 0.00 C ATOM 171 C ALA A 12 -5.018 2.787 5.480 1.00 0.00 C ATOM 172 O ALA A 12 -4.974 1.726 4.857 1.00 0.00 O ATOM 173 CB ALA A 12 -7.142 3.360 6.637 1.00 0.00 C ATOM 0 H ALA A 12 -6.782 2.557 3.735 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.950 4.711 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.582 3.534 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.018 4.008 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.460 2.318 6.598 1.00 0.00 H new ATOM 179 N ILE A 13 -4.004 3.237 6.215 1.00 0.00 N ATOM 180 CA ILE A 13 -2.751 2.496 6.344 1.00 0.00 C ATOM 181 C ILE A 13 -2.269 2.581 7.784 1.00 0.00 C ATOM 182 O ILE A 13 -2.263 3.659 8.379 1.00 0.00 O ATOM 183 CB ILE A 13 -1.669 3.091 5.421 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.244 3.222 4.006 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.439 2.172 5.393 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.204 3.836 3.067 1.00 0.00 C ATOM 0 H ILE A 13 -4.026 4.116 6.733 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.927 1.459 6.060 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.368 4.070 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.545 2.242 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.139 3.844 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.320 2.600 4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.036 2.073 6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.727 1.189 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.625 3.924 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.924 4.825 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.321 3.198 3.035 1.00 0.00 H new ATOM 198 N GLN A 14 -1.853 1.447 8.346 1.00 0.00 N ATOM 199 CA GLN A 14 -1.369 1.437 9.724 1.00 0.00 C ATOM 200 C GLN A 14 -0.440 0.255 9.973 1.00 0.00 C ATOM 201 O GLN A 14 -0.856 -0.814 10.419 1.00 0.00 O ATOM 202 CB GLN A 14 -2.555 1.405 10.698 1.00 0.00 C ATOM 203 CG GLN A 14 -2.097 1.798 12.109 1.00 0.00 C ATOM 204 CD GLN A 14 -1.606 3.250 12.115 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.394 4.174 12.091 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.322 3.487 12.133 1.00 0.00 N ATOM 0 H GLN A 14 -1.841 0.540 7.879 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.798 2.350 9.892 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.333 2.089 10.357 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.993 0.407 10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.921 1.681 12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.298 1.134 12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.340 2.711 12.153 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.019 4.448 12.127 1.00 0.00 H new ATOM 215 N GLY A 15 0.825 0.480 9.648 1.00 0.00 N ATOM 216 CA GLY A 15 1.872 -0.522 9.793 1.00 0.00 C ATOM 217 C GLY A 15 2.293 -1.070 8.448 1.00 0.00 C ATOM 218 O GLY A 15 3.315 -0.672 7.898 1.00 0.00 O ATOM 0 H GLY A 15 1.156 1.369 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.733 -0.082 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.516 -1.336 10.425 1.00 0.00 H new ATOM 222 N SER A 16 1.492 -1.980 7.912 1.00 0.00 N ATOM 223 CA SER A 16 1.785 -2.579 6.615 1.00 0.00 C ATOM 224 C SER A 16 0.533 -3.220 6.056 1.00 0.00 C ATOM 225 O SER A 16 0.594 -4.210 5.327 1.00 0.00 O ATOM 226 CB SER A 16 2.876 -3.633 6.764 1.00 0.00 C ATOM 227 OG SER A 16 2.293 -4.854 7.200 1.00 0.00 O ATOM 0 H SER A 16 0.637 -2.320 8.352 1.00 0.00 H new ATOM 0 HA SER A 16 2.130 -1.802 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.388 -3.780 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.626 -3.298 7.481 1.00 0.00 H new ATOM 0 HG SER A 16 1.877 -5.308 6.438 1.00 0.00 H new ATOM 233 N VAL A 17 -0.609 -2.645 6.418 1.00 0.00 N ATOM 234 CA VAL A 17 -1.902 -3.151 5.971 1.00 0.00 C ATOM 235 C VAL A 17 -2.740 -2.038 5.373 1.00 0.00 C ATOM 236 O VAL A 17 -3.085 -1.069 6.049 1.00 0.00 O ATOM 237 CB VAL A 17 -2.681 -3.772 7.144 1.00 0.00 C ATOM 238 CG1 VAL A 17 -3.935 -4.470 6.614 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.793 -4.793 7.857 1.00 0.00 C ATOM 0 H VAL A 17 -0.665 -1.825 7.022 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.708 -3.911 5.214 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.972 -2.988 7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.486 -4.909 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.567 -3.744 6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.647 -5.255 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.342 -5.235 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.504 -5.576 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.899 -4.297 8.235 1.00 0.00 H new ATOM 249 N LEU A 18 -3.110 -2.212 4.111 1.00 0.00 N ATOM 250 CA LEU A 18 -3.963 -1.255 3.429 1.00 0.00 C ATOM 251 C LEU A 18 -5.385 -1.724 3.648 1.00 0.00 C ATOM 252 O LEU A 18 -5.656 -2.914 3.543 1.00 0.00 O ATOM 253 CB LEU A 18 -3.626 -1.240 1.931 1.00 0.00 C ATOM 254 CG LEU A 18 -4.476 -0.197 1.176 1.00 0.00 C ATOM 255 CD1 LEU A 18 -4.036 1.234 1.535 1.00 0.00 C ATOM 256 CD2 LEU A 18 -4.300 -0.422 -0.331 1.00 0.00 C ATOM 0 H LEU A 18 -2.831 -3.010 3.540 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.823 -0.243 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.568 -1.016 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.799 -2.229 1.507 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.521 -0.314 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.650 1.951 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.156 1.394 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.990 1.372 1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.895 0.308 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.249 -0.306 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.631 -1.428 -0.590 1.00 0.00 H new ATOM 268 N THR A 19 -6.299 -0.815 3.938 1.00 0.00 N ATOM 269 CA THR A 19 -7.694 -1.184 4.158 1.00 0.00 C ATOM 270 C THR A 19 -8.551 -0.109 3.531 1.00 0.00 C ATOM 271 O THR A 19 -8.408 1.065 3.863 1.00 0.00 O ATOM 272 CB THR A 19 -8.018 -1.269 5.665 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.247 -2.305 6.257 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.507 -1.566 5.859 1.00 0.00 C ATOM 0 H THR A 19 -6.105 0.182 4.027 1.00 0.00 H new ATOM 0 HA THR A 19 -7.886 -2.162 3.716 1.00 0.00 H new ATOM 0 HB THR A 19 -7.777 -0.318 6.139 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.451 -2.358 7.214 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.730 -1.625 6.924 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.099 -0.770 5.408 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.754 -2.515 5.383 1.00 0.00 H new ATOM 282 N SER A 20 -9.420 -0.495 2.606 1.00 0.00 N ATOM 283 CA SER A 20 -10.259 0.483 1.926 1.00 0.00 C ATOM 284 C SER A 20 -11.559 -0.136 1.440 1.00 0.00 C ATOM 285 O SER A 20 -11.575 -1.242 0.901 1.00 0.00 O ATOM 286 CB SER A 20 -9.489 1.058 0.727 1.00 0.00 C ATOM 287 OG SER A 20 -10.035 2.321 0.379 1.00 0.00 O ATOM 0 H SER A 20 -9.562 -1.462 2.313 1.00 0.00 H new ATOM 0 HA SER A 20 -10.507 1.272 2.636 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.433 1.162 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.552 0.376 -0.121 1.00 0.00 H new ATOM 0 HG SER A 20 -10.966 2.369 0.681 1.00 0.00 H new ATOM 293 N THR A 21 -12.642 0.613 1.608 1.00 0.00 N ATOM 294 CA THR A 21 -13.947 0.166 1.154 1.00 0.00 C ATOM 295 C THR A 21 -14.031 0.392 -0.343 1.00 0.00 C ATOM 296 O THR A 21 -13.861 1.515 -0.817 1.00 0.00 O ATOM 297 CB THR A 21 -15.073 0.939 1.861 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.834 0.929 3.262 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.417 0.271 1.569 1.00 0.00 C ATOM 0 H THR A 21 -12.640 1.530 2.055 1.00 0.00 H new ATOM 0 HA THR A 21 -14.069 -0.891 1.391 1.00 0.00 H new ATOM 0 HB THR A 21 -15.096 1.966 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.547 1.421 3.719 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.213 0.821 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.598 0.272 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.400 -0.756 1.933 1.00 0.00 H new ATOM 307 N CYS A 22 -14.280 -0.684 -1.091 1.00 0.00 N ATOM 308 CA CYS A 22 -14.363 -0.603 -2.550 1.00 0.00 C ATOM 309 C CYS A 22 -15.699 -1.120 -3.048 1.00 0.00 C ATOM 310 O CYS A 22 -16.297 -2.017 -2.458 1.00 0.00 O ATOM 311 CB CYS A 22 -13.223 -1.415 -3.174 1.00 0.00 C ATOM 312 SG CYS A 22 -11.633 -0.831 -2.534 1.00 0.00 S ATOM 0 H CYS A 22 -14.427 -1.619 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.272 0.442 -2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.351 -2.473 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.247 -1.318 -4.259 1.00 0.00 H new ATOM 317 N GLU A 23 -16.159 -0.528 -4.141 1.00 0.00 N ATOM 318 CA GLU A 23 -17.430 -0.906 -4.734 1.00 0.00 C ATOM 319 C GLU A 23 -17.323 -2.285 -5.379 1.00 0.00 C ATOM 320 O GLU A 23 -16.476 -2.514 -6.243 1.00 0.00 O ATOM 321 CB GLU A 23 -17.840 0.136 -5.783 1.00 0.00 C ATOM 322 CG GLU A 23 -17.640 1.548 -5.215 1.00 0.00 C ATOM 323 CD GLU A 23 -18.028 2.587 -6.268 1.00 0.00 C ATOM 324 OE1 GLU A 23 -17.354 2.652 -7.282 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.989 3.305 -6.041 1.00 0.00 O ATOM 0 H GLU A 23 -15.668 0.218 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.189 -0.946 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.245 0.010 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.883 -0.009 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.247 1.680 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.600 1.687 -4.919 1.00 0.00 H new ATOM 332 N ARG A 24 -18.198 -3.194 -4.962 1.00 0.00 N ATOM 333 CA ARG A 24 -18.199 -4.544 -5.517 1.00 0.00 C ATOM 334 C ARG A 24 -18.687 -4.517 -6.954 1.00 0.00 C ATOM 335 O ARG A 24 -19.426 -3.618 -7.355 1.00 0.00 O ATOM 336 CB ARG A 24 -19.100 -5.487 -4.708 1.00 0.00 C ATOM 337 CG ARG A 24 -18.606 -5.610 -3.250 1.00 0.00 C ATOM 338 CD ARG A 24 -19.135 -6.916 -2.606 1.00 0.00 C ATOM 339 NE ARG A 24 -18.068 -7.959 -2.685 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.375 -9.227 -2.600 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.603 -9.587 -2.346 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.452 -10.133 -2.771 1.00 0.00 N ATOM 0 H ARG A 24 -18.908 -3.024 -4.250 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.175 -4.914 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.124 -5.115 -4.718 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.114 -6.472 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.516 -5.602 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.943 -4.750 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.413 -6.739 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.033 -7.255 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.094 -7.680 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -20.325 -8.879 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.841 -10.577 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.492 -9.852 -2.971 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.690 -11.123 -2.705 1.00 0.00 H new ATOM 356 N THR A 25 -18.274 -5.517 -7.724 1.00 0.00 N ATOM 357 CA THR A 25 -18.678 -5.623 -9.123 1.00 0.00 C ATOM 358 C THR A 25 -19.949 -6.457 -9.229 1.00 0.00 C ATOM 359 O THR A 25 -20.745 -6.285 -10.152 1.00 0.00 O ATOM 360 CB THR A 25 -17.572 -6.295 -9.956 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.364 -5.561 -9.813 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.982 -6.323 -11.428 1.00 0.00 C ATOM 0 H THR A 25 -17.660 -6.266 -7.404 1.00 0.00 H new ATOM 0 HA THR A 25 -18.856 -4.618 -9.506 1.00 0.00 H new ATOM 0 HB THR A 25 -17.423 -7.316 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.657 -5.988 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.197 -6.799 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.909 -6.886 -11.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.133 -5.304 -11.783 1.00 0.00 H new ATOM 370 N ASN A 26 -20.131 -7.363 -8.267 1.00 0.00 N ATOM 371 CA ASN A 26 -21.308 -8.237 -8.231 1.00 0.00 C ATOM 372 C ASN A 26 -22.283 -7.764 -7.150 1.00 0.00 C ATOM 373 O ASN A 26 -23.448 -7.484 -7.428 1.00 0.00 O ATOM 374 CB ASN A 26 -20.860 -9.675 -7.936 1.00 0.00 C ATOM 375 CG ASN A 26 -21.997 -10.655 -8.238 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.004 -10.281 -8.807 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.876 -11.904 -7.879 1.00 0.00 N ATOM 0 H ASN A 26 -19.476 -7.512 -7.499 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.813 -8.202 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.987 -9.923 -8.539 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.561 -9.764 -6.891 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.626 -12.566 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.031 -12.218 -7.402 1.00 0.00 H new ATOM 384 N GLY A 27 -21.801 -7.712 -5.911 1.00 0.00 N ATOM 385 CA GLY A 27 -22.631 -7.304 -4.782 1.00 0.00 C ATOM 386 C GLY A 27 -22.737 -5.793 -4.616 1.00 0.00 C ATOM 387 O GLY A 27 -23.014 -5.062 -5.566 1.00 0.00 O ATOM 0 H GLY A 27 -20.840 -7.947 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.631 -7.718 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.222 -7.734 -3.867 1.00 0.00 H new ATOM 391 N GLY A 28 -22.531 -5.345 -3.375 1.00 0.00 N ATOM 392 CA GLY A 28 -22.608 -3.924 -3.019 1.00 0.00 C ATOM 393 C GLY A 28 -21.251 -3.362 -2.655 1.00 0.00 C ATOM 394 O GLY A 28 -20.427 -3.108 -3.528 1.00 0.00 O ATOM 0 H GLY A 28 -22.306 -5.955 -2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.022 -3.361 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.292 -3.796 -2.180 1.00 0.00 H new ATOM 398 N TYR A 29 -21.021 -3.138 -1.359 1.00 0.00 N ATOM 399 CA TYR A 29 -19.746 -2.590 -0.881 1.00 0.00 C ATOM 400 C TYR A 29 -18.961 -3.668 -0.137 1.00 0.00 C ATOM 401 O TYR A 29 -19.540 -4.495 0.568 1.00 0.00 O ATOM 402 CB TYR A 29 -20.007 -1.415 0.067 1.00 0.00 C ATOM 403 CG TYR A 29 -20.750 -0.314 -0.665 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.128 0.359 -1.741 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.060 0.050 -0.273 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.812 1.388 -2.423 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.741 1.081 -0.956 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.117 1.750 -2.031 1.00 0.00 C ATOM 409 OH TYR A 29 -22.708 2.869 -2.579 1.00 0.00 O ATOM 0 H TYR A 29 -21.699 -3.327 -0.621 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.169 -2.246 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.590 -1.751 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.063 -1.033 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.128 0.085 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.539 -0.461 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.335 1.899 -3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.741 1.358 -0.656 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.607 2.980 -2.205 1.00 0.00 H new ATOM 419 N ASN A 30 -17.636 -3.651 -0.296 1.00 0.00 N ATOM 420 CA ASN A 30 -16.762 -4.630 0.364 1.00 0.00 C ATOM 421 C ASN A 30 -15.528 -3.934 0.926 1.00 0.00 C ATOM 422 O ASN A 30 -14.856 -3.181 0.220 1.00 0.00 O ATOM 423 CB ASN A 30 -16.327 -5.704 -0.640 1.00 0.00 C ATOM 424 CG ASN A 30 -15.304 -6.644 0.005 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.659 -7.675 0.542 1.00 0.00 O ATOM 426 ND2 ASN A 30 -14.039 -6.328 -0.027 1.00 0.00 N ATOM 0 H ASN A 30 -17.143 -2.972 -0.875 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.314 -5.098 1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.195 -6.273 -0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.894 -5.234 -1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.348 -6.946 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.741 -5.463 -0.478 1.00 0.00 H new ATOM 433 N THR A 31 -15.231 -4.200 2.200 1.00 0.00 N ATOM 434 CA THR A 31 -14.067 -3.605 2.866 1.00 0.00 C ATOM 435 C THR A 31 -13.052 -4.675 3.224 1.00 0.00 C ATOM 436 O THR A 31 -13.124 -5.292 4.286 1.00 0.00 O ATOM 437 CB THR A 31 -14.483 -2.860 4.151 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.590 -2.016 3.867 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.312 -2.012 4.658 1.00 0.00 C ATOM 0 H THR A 31 -15.780 -4.823 2.792 1.00 0.00 H new ATOM 0 HA THR A 31 -13.621 -2.895 2.170 1.00 0.00 H new ATOM 0 HB THR A 31 -14.761 -3.585 4.916 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.274 -1.100 3.720 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.609 -1.487 5.566 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.462 -2.658 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.031 -1.286 3.895 1.00 0.00 H new ATOM 447 N SER A 32 -12.094 -4.879 2.323 1.00 0.00 N ATOM 448 CA SER A 32 -11.035 -5.865 2.526 1.00 0.00 C ATOM 449 C SER A 32 -9.725 -5.150 2.818 1.00 0.00 C ATOM 450 O SER A 32 -9.680 -3.922 2.897 1.00 0.00 O ATOM 451 CB SER A 32 -10.880 -6.731 1.270 1.00 0.00 C ATOM 452 OG SER A 32 -11.933 -7.684 1.229 1.00 0.00 O ATOM 0 H SER A 32 -12.029 -4.372 1.441 1.00 0.00 H new ATOM 0 HA SER A 32 -11.297 -6.504 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.904 -6.106 0.377 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.915 -7.237 1.279 1.00 0.00 H new ATOM 0 HG SER A 32 -11.840 -8.240 0.427 1.00 0.00 H new ATOM 458 N SER A 33 -8.660 -5.925 2.968 1.00 0.00 N ATOM 459 CA SER A 33 -7.345 -5.362 3.243 1.00 0.00 C ATOM 460 C SER A 33 -6.262 -6.260 2.661 1.00 0.00 C ATOM 461 O SER A 33 -6.417 -7.479 2.604 1.00 0.00 O ATOM 462 CB SER A 33 -7.150 -5.207 4.755 1.00 0.00 C ATOM 463 OG SER A 33 -7.610 -6.381 5.411 1.00 0.00 O ATOM 0 H SER A 33 -8.680 -6.943 2.904 1.00 0.00 H new ATOM 0 HA SER A 33 -7.273 -4.380 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.097 -5.039 4.982 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.697 -4.336 5.116 1.00 0.00 H new ATOM 0 HG SER A 33 -7.485 -6.286 6.378 1.00 0.00 H new ATOM 469 N ILE A 34 -5.164 -5.644 2.225 1.00 0.00 N ATOM 470 CA ILE A 34 -4.045 -6.383 1.637 1.00 0.00 C ATOM 471 C ILE A 34 -2.734 -5.898 2.248 1.00 0.00 C ATOM 472 O ILE A 34 -2.438 -4.702 2.247 1.00 0.00 O ATOM 473 CB ILE A 34 -4.016 -6.185 0.101 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.837 -6.951 -0.530 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.890 -4.696 -0.234 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.979 -8.465 -0.279 1.00 0.00 C ATOM 0 H ILE A 34 -5.024 -4.634 2.267 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.172 -7.445 1.849 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.948 -6.576 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.801 -6.756 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.897 -6.594 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.870 -4.567 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.742 -4.156 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.968 -4.303 0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.138 -8.989 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.991 -8.656 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.909 -8.821 -0.721 1.00 0.00 H new ATOM 488 N ASP A 35 -1.959 -6.834 2.787 1.00 0.00 N ATOM 489 CA ASP A 35 -0.690 -6.488 3.411 1.00 0.00 C ATOM 490 C ASP A 35 0.326 -6.070 2.354 1.00 0.00 C ATOM 491 O ASP A 35 0.696 -6.860 1.485 1.00 0.00 O ATOM 492 CB ASP A 35 -0.161 -7.681 4.232 1.00 0.00 C ATOM 493 CG ASP A 35 0.745 -7.184 5.368 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.617 -6.376 5.095 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.543 -7.616 6.491 1.00 0.00 O ATOM 0 H ASP A 35 -2.186 -7.828 2.804 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.848 -5.646 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.996 -8.247 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.395 -8.359 3.585 1.00 0.00 H new ATOM 500 N LEU A 36 0.777 -4.825 2.441 1.00 0.00 N ATOM 501 CA LEU A 36 1.755 -4.312 1.494 1.00 0.00 C ATOM 502 C LEU A 36 3.124 -4.897 1.798 1.00 0.00 C ATOM 503 O LEU A 36 4.081 -4.679 1.058 1.00 0.00 O ATOM 504 CB LEU A 36 1.840 -2.783 1.600 1.00 0.00 C ATOM 505 CG LEU A 36 0.517 -2.115 1.163 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.418 -0.719 1.796 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.464 -1.964 -0.368 1.00 0.00 C ATOM 0 H LEU A 36 0.483 -4.157 3.153 1.00 0.00 H new ATOM 0 HA LEU A 36 1.444 -4.595 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.071 -2.500 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.657 -2.418 0.977 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.311 -2.743 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.515 -0.246 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.439 -0.810 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.260 -0.110 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.476 -1.492 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.298 -1.346 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.532 -2.947 -0.833 1.00 0.00 H new ATOM 519 N ASN A 37 3.209 -5.643 2.893 1.00 0.00 N ATOM 520 CA ASN A 37 4.473 -6.245 3.288 1.00 0.00 C ATOM 521 C ASN A 37 4.877 -7.362 2.345 1.00 0.00 C ATOM 522 O ASN A 37 6.052 -7.707 2.270 1.00 0.00 O ATOM 523 CB ASN A 37 4.393 -6.796 4.711 1.00 0.00 C ATOM 524 CG ASN A 37 5.752 -7.391 5.097 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.829 -6.663 4.979 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.834 -8.534 5.499 1.00 0.00 N flip ATOM 0 H ASN A 37 2.426 -5.843 3.516 1.00 0.00 H new ATOM 0 HA ASN A 37 5.227 -5.459 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.119 -6.003 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.617 -7.559 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.993 -9.104 5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.744 -8.924 5.744 1.00 0.00 H new ATOM 533 N SER A 38 3.918 -7.960 1.644 1.00 0.00 N ATOM 534 CA SER A 38 4.229 -9.062 0.738 1.00 0.00 C ATOM 535 C SER A 38 4.535 -8.561 -0.670 1.00 0.00 C ATOM 536 O SER A 38 4.779 -9.363 -1.571 1.00 0.00 O ATOM 537 CB SER A 38 3.033 -10.014 0.681 1.00 0.00 C ATOM 538 OG SER A 38 2.595 -10.298 2.004 1.00 0.00 O ATOM 0 H SER A 38 2.931 -7.705 1.684 1.00 0.00 H new ATOM 0 HA SER A 38 5.113 -9.575 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.223 -9.565 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.312 -10.937 0.172 1.00 0.00 H new ATOM 0 HG SER A 38 1.828 -10.907 1.971 1.00 0.00 H new ATOM 544 N VAL A 39 4.499 -7.240 -0.873 1.00 0.00 N ATOM 545 CA VAL A 39 4.757 -6.674 -2.206 1.00 0.00 C ATOM 546 C VAL A 39 5.611 -5.404 -2.134 1.00 0.00 C ATOM 547 O VAL A 39 5.755 -4.703 -3.132 1.00 0.00 O ATOM 548 CB VAL A 39 3.425 -6.348 -2.921 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.735 -7.649 -3.341 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.501 -5.583 -1.970 1.00 0.00 C ATOM 0 H VAL A 39 4.298 -6.552 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 39 5.308 -7.427 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 39 3.635 -5.739 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.797 -7.417 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.384 -8.202 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.533 -8.255 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.564 -5.355 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.298 -6.194 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.982 -4.654 -1.664 1.00 0.00 H new ATOM 560 N ILE A 40 6.194 -5.114 -0.966 1.00 0.00 N ATOM 561 CA ILE A 40 7.051 -3.923 -0.806 1.00 0.00 C ATOM 562 C ILE A 40 8.313 -4.284 -0.008 1.00 0.00 C ATOM 563 O ILE A 40 8.238 -5.007 0.977 1.00 0.00 O ATOM 564 CB ILE A 40 6.292 -2.776 -0.077 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.123 -2.248 -0.953 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.253 -1.629 0.271 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.596 -1.235 -2.008 1.00 0.00 C ATOM 0 H ILE A 40 6.093 -5.678 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 40 7.330 -3.578 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 40 5.878 -3.177 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.637 -3.087 -1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.375 -1.780 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.704 -0.836 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 40 8.042 -2.001 0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.695 -1.234 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.742 -0.895 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.058 -0.381 -1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.324 -1.709 -2.667 1.00 0.00 H new ATOM 579 N ALA A 41 9.473 -3.766 -0.450 1.00 0.00 N ATOM 580 CA ALA A 41 10.769 -4.030 0.219 1.00 0.00 C ATOM 581 C ALA A 41 11.452 -2.715 0.621 1.00 0.00 C ATOM 582 O ALA A 41 11.272 -1.693 -0.035 1.00 0.00 O ATOM 583 CB ALA A 41 11.686 -4.802 -0.733 1.00 0.00 C ATOM 0 H ALA A 41 9.544 -3.161 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 41 10.581 -4.617 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.639 -4.997 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.217 -5.748 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.856 -4.212 -1.633 1.00 0.00 H new ATOM 589 N ALA A 42 12.248 -2.754 1.701 1.00 0.00 N ATOM 590 CA ALA A 42 12.973 -1.561 2.178 1.00 0.00 C ATOM 591 C ALA A 42 14.462 -1.673 1.863 1.00 0.00 C ATOM 592 O ALA A 42 15.160 -2.509 2.436 1.00 0.00 O ATOM 593 CB ALA A 42 12.816 -1.402 3.686 1.00 0.00 C ATOM 0 H ALA A 42 12.407 -3.593 2.259 1.00 0.00 H new ATOM 0 HA ALA A 42 12.549 -0.696 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.358 -0.516 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.760 -1.294 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.218 -2.282 4.188 1.00 0.00 H new ATOM 599 N VAL A 43 14.945 -0.827 0.951 1.00 0.00 N ATOM 600 CA VAL A 43 16.363 -0.833 0.565 1.00 0.00 C ATOM 601 C VAL A 43 16.948 0.574 0.642 1.00 0.00 C ATOM 602 O VAL A 43 16.611 1.440 -0.165 1.00 0.00 O ATOM 603 CB VAL A 43 16.537 -1.352 -0.872 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.027 -1.394 -1.225 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.949 -2.761 -0.972 1.00 0.00 C ATOM 0 H VAL A 43 14.380 -0.130 0.466 1.00 0.00 H new ATOM 0 HA VAL A 43 16.886 -1.491 1.259 1.00 0.00 H new ATOM 0 HB VAL A 43 16.021 -0.689 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.149 -1.762 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.447 -0.391 -1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.546 -2.059 -0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.070 -3.134 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.469 -3.422 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.889 -2.732 -0.720 1.00 0.00 H new ATOM 615 N ASP A 44 17.820 0.790 1.623 1.00 0.00 N ATOM 616 CA ASP A 44 18.457 2.090 1.815 1.00 0.00 C ATOM 617 C ASP A 44 17.420 3.186 2.039 1.00 0.00 C ATOM 618 O ASP A 44 17.660 4.350 1.719 1.00 0.00 O ATOM 619 CB ASP A 44 19.338 2.446 0.608 1.00 0.00 C ATOM 620 CG ASP A 44 20.587 1.561 0.603 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.447 0.372 0.835 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.661 2.090 0.370 1.00 0.00 O ATOM 0 H ASP A 44 18.102 0.080 2.299 1.00 0.00 H new ATOM 0 HA ASP A 44 19.083 2.021 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.778 2.307 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.625 3.497 0.652 1.00 0.00 H new ATOM 627 N GLY A 45 16.270 2.818 2.600 1.00 0.00 N ATOM 628 CA GLY A 45 15.224 3.791 2.867 1.00 0.00 C ATOM 629 C GLY A 45 14.405 4.100 1.635 1.00 0.00 C ATOM 630 O GLY A 45 14.020 5.246 1.408 1.00 0.00 O ATOM 0 H GLY A 45 16.044 1.862 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.569 3.412 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.673 4.710 3.243 1.00 0.00 H new ATOM 634 N SER A 46 14.134 3.074 0.832 1.00 0.00 N ATOM 635 CA SER A 46 13.353 3.246 -0.395 1.00 0.00 C ATOM 636 C SER A 46 12.393 2.076 -0.589 1.00 0.00 C ATOM 637 O SER A 46 12.815 0.922 -0.658 1.00 0.00 O ATOM 638 CB SER A 46 14.306 3.341 -1.591 1.00 0.00 C ATOM 639 OG SER A 46 13.619 3.906 -2.698 1.00 0.00 O ATOM 0 H SER A 46 14.441 2.117 1.006 1.00 0.00 H new ATOM 0 HA SER A 46 12.767 4.162 -0.317 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.170 3.954 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.683 2.351 -1.849 1.00 0.00 H new ATOM 0 HG SER A 46 14.228 3.969 -3.463 1.00 0.00 H new ATOM 645 N LEU A 47 11.095 2.379 -0.676 1.00 0.00 N ATOM 646 CA LEU A 47 10.083 1.340 -0.866 1.00 0.00 C ATOM 647 C LEU A 47 9.932 1.004 -2.345 1.00 0.00 C ATOM 648 O LEU A 47 9.613 1.872 -3.159 1.00 0.00 O ATOM 649 CB LEU A 47 8.729 1.808 -0.319 1.00 0.00 C ATOM 650 CG LEU A 47 8.854 2.232 1.152 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.532 2.871 1.595 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.158 1.016 2.043 1.00 0.00 C ATOM 0 H LEU A 47 10.724 3.327 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 47 10.407 0.451 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.361 2.644 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.997 1.005 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 47 9.672 2.945 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.607 3.177 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.324 3.743 0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.724 2.148 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.243 1.338 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.351 0.288 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.096 0.559 1.727 1.00 0.00 H new ATOM 664 N LYS A 48 10.152 -0.269 -2.685 1.00 0.00 N ATOM 665 CA LYS A 48 10.031 -0.739 -4.073 1.00 0.00 C ATOM 666 C LYS A 48 9.053 -1.903 -4.138 1.00 0.00 C ATOM 667 O LYS A 48 8.954 -2.689 -3.203 1.00 0.00 O ATOM 668 CB LYS A 48 11.398 -1.192 -4.605 1.00 0.00 C ATOM 669 CG LYS A 48 12.429 -0.043 -4.511 1.00 0.00 C ATOM 670 CD LYS A 48 12.317 0.907 -5.725 1.00 0.00 C ATOM 671 CE LYS A 48 12.952 0.284 -6.982 1.00 0.00 C ATOM 672 NZ LYS A 48 13.293 1.372 -7.941 1.00 0.00 N ATOM 0 H LYS A 48 10.415 -0.995 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 48 9.665 0.083 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.750 -2.051 -4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.301 -1.517 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.269 0.518 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.436 -0.457 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.268 1.132 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.809 1.852 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.848 -0.276 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.261 -0.422 -7.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.723 0.961 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.429 1.887 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.966 2.028 -7.496 1.00 0.00 H new ATOM 686 N TRP A 49 8.323 -1.994 -5.244 1.00 0.00 N ATOM 687 CA TRP A 49 7.332 -3.053 -5.418 1.00 0.00 C ATOM 688 C TRP A 49 7.982 -4.426 -5.550 1.00 0.00 C ATOM 689 O TRP A 49 9.186 -4.579 -5.347 1.00 0.00 O ATOM 690 CB TRP A 49 6.471 -2.754 -6.655 1.00 0.00 C ATOM 691 CG TRP A 49 5.558 -1.620 -6.334 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.653 -0.367 -6.838 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.431 -1.617 -5.421 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.646 0.408 -6.292 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.869 -0.315 -5.409 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.840 -2.613 -4.603 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.763 -0.007 -4.612 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.719 -2.307 -3.798 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.183 -1.002 -3.801 1.00 0.00 C ATOM 0 H TRP A 49 8.397 -1.350 -6.032 1.00 0.00 H new ATOM 0 HA TRP A 49 6.704 -3.075 -4.527 1.00 0.00 H new ATOM 0 HB2 TRP A 49 7.105 -2.501 -7.505 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.895 -3.635 -6.938 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.393 -0.029 -7.549 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.496 1.392 -6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.249 -3.612 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.354 0.992 -4.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.273 -3.072 -3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.330 -0.766 -3.183 1.00 0.00 H new ATOM 710 N GLN A 50 7.154 -5.425 -5.876 1.00 0.00 N ATOM 711 CA GLN A 50 7.612 -6.809 -6.027 1.00 0.00 C ATOM 712 C GLN A 50 8.652 -7.164 -4.973 1.00 0.00 C ATOM 713 O GLN A 50 9.594 -7.909 -5.243 1.00 0.00 O ATOM 714 CB GLN A 50 8.188 -7.043 -7.433 1.00 0.00 C ATOM 715 CG GLN A 50 9.397 -6.128 -7.694 1.00 0.00 C ATOM 716 CD GLN A 50 10.144 -6.613 -8.937 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.569 -7.252 -9.795 1.00 0.00 O ATOM 718 NE2 GLN A 50 11.413 -6.337 -9.067 1.00 0.00 N ATOM 0 H GLN A 50 6.156 -5.298 -6.041 1.00 0.00 H new ATOM 0 HA GLN A 50 6.747 -7.458 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.487 -8.086 -7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.418 -6.856 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.065 -5.099 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.063 -6.133 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.895 -5.800 -8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.923 -6.658 -9.890 1.00 0.00 H new ATOM 727 N GLY A 51 8.482 -6.613 -3.773 1.00 0.00 N ATOM 728 CA GLY A 51 9.413 -6.854 -2.679 1.00 0.00 C ATOM 729 C GLY A 51 8.705 -7.223 -1.394 1.00 0.00 C ATOM 730 O GLY A 51 7.477 -7.303 -1.348 1.00 0.00 O ATOM 0 H GLY A 51 7.705 -5.996 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.098 -7.655 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.017 -5.961 -2.515 1.00 0.00 H new ATOM 734 N SER A 52 9.487 -7.454 -0.341 1.00 0.00 N ATOM 735 CA SER A 52 8.929 -7.823 0.955 1.00 0.00 C ATOM 736 C SER A 52 9.909 -7.488 2.078 1.00 0.00 C ATOM 737 O SER A 52 11.051 -7.098 1.829 1.00 0.00 O ATOM 738 CB SER A 52 8.606 -9.322 0.971 1.00 0.00 C ATOM 739 OG SER A 52 9.688 -10.040 0.395 1.00 0.00 O ATOM 0 H SER A 52 10.505 -7.392 -0.361 1.00 0.00 H new ATOM 0 HA SER A 52 8.013 -7.254 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.434 -9.658 1.994 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.689 -9.514 0.414 1.00 0.00 H new ATOM 0 HG SER A 52 9.486 -10.999 0.405 1.00 0.00 H new ATOM 745 N ASN A 53 9.457 -7.672 3.313 1.00 0.00 N ATOM 746 CA ASN A 53 10.305 -7.418 4.474 1.00 0.00 C ATOM 747 C ASN A 53 10.710 -5.932 4.549 1.00 0.00 C ATOM 748 O ASN A 53 11.877 -5.609 4.780 1.00 0.00 O ATOM 749 CB ASN A 53 11.559 -8.341 4.375 1.00 0.00 C ATOM 750 CG ASN A 53 11.821 -9.070 5.700 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.897 -9.492 6.368 1.00 0.00 O ATOM 752 ND2 ASN A 53 13.050 -9.239 6.103 1.00 0.00 N ATOM 0 H ASN A 53 8.515 -7.994 3.537 1.00 0.00 H new ATOM 0 HA ASN A 53 9.757 -7.642 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.414 -9.071 3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.431 -7.745 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.237 -9.726 6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.824 -8.884 5.541 1.00 0.00 H new ATOM 759 N PHE A 54 9.737 -5.025 4.373 1.00 0.00 N ATOM 760 CA PHE A 54 10.011 -3.579 4.438 1.00 0.00 C ATOM 761 C PHE A 54 9.546 -3.007 5.770 1.00 0.00 C ATOM 762 O PHE A 54 10.185 -2.123 6.328 1.00 0.00 O ATOM 763 CB PHE A 54 9.306 -2.843 3.262 1.00 0.00 C ATOM 764 CG PHE A 54 7.925 -2.341 3.643 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.782 -1.113 4.321 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.789 -3.095 3.306 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.496 -0.642 4.665 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.500 -2.626 3.643 1.00 0.00 C ATOM 769 CZ PHE A 54 5.354 -1.400 4.326 1.00 0.00 C ATOM 0 H PHE A 54 8.763 -5.262 4.186 1.00 0.00 H new ATOM 0 HA PHE A 54 11.087 -3.428 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.921 -2.002 2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.223 -3.519 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.656 -0.533 4.577 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.901 -4.036 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.386 0.297 5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.628 -3.205 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.370 -1.042 4.589 1.00 0.00 H new ATOM 779 N ILE A 55 8.442 -3.544 6.271 1.00 0.00 N ATOM 780 CA ILE A 55 7.891 -3.089 7.540 1.00 0.00 C ATOM 781 C ILE A 55 8.846 -3.411 8.674 1.00 0.00 C ATOM 782 O ILE A 55 8.974 -2.646 9.629 1.00 0.00 O ATOM 783 CB ILE A 55 6.530 -3.757 7.827 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.933 -3.223 9.148 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.718 -5.272 7.937 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.746 -1.691 9.082 1.00 0.00 C ATOM 0 H ILE A 55 7.913 -4.291 5.821 1.00 0.00 H new ATOM 0 HA ILE A 55 7.749 -2.011 7.470 1.00 0.00 H new ATOM 0 HB ILE A 55 5.848 -3.524 7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.974 -3.704 9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.590 -3.479 9.979 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.757 -5.744 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.121 -5.658 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.410 -5.495 8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.324 -1.335 10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.711 -1.214 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.070 -1.442 8.264 1.00 0.00 H new ATOM 798 N GLU A 56 9.514 -4.547 8.561 1.00 0.00 N ATOM 799 CA GLU A 56 10.459 -4.961 9.584 1.00 0.00 C ATOM 800 C GLU A 56 11.534 -3.899 9.763 1.00 0.00 C ATOM 801 O GLU A 56 12.328 -3.956 10.702 1.00 0.00 O ATOM 802 CB GLU A 56 11.097 -6.298 9.190 1.00 0.00 C ATOM 803 CG GLU A 56 11.955 -6.131 7.915 1.00 0.00 C ATOM 804 CD GLU A 56 13.359 -5.612 8.261 1.00 0.00 C ATOM 805 OE1 GLU A 56 13.794 -5.816 9.383 1.00 0.00 O ATOM 806 OE2 GLU A 56 13.981 -5.030 7.388 1.00 0.00 O ATOM 0 H GLU A 56 9.421 -5.194 7.778 1.00 0.00 H new ATOM 0 HA GLU A 56 9.930 -5.085 10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.717 -6.667 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.320 -7.042 9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.034 -7.087 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.465 -5.438 7.231 1.00 0.00 H new ATOM 813 N ALA A 57 11.546 -2.915 8.861 1.00 0.00 N ATOM 814 CA ALA A 57 12.523 -1.827 8.922 1.00 0.00 C ATOM 815 C ALA A 57 11.844 -0.485 8.665 1.00 0.00 C ATOM 816 O ALA A 57 12.509 0.479 8.291 1.00 0.00 O ATOM 817 CB ALA A 57 13.623 -2.060 7.891 1.00 0.00 C ATOM 0 H ALA A 57 10.891 -2.850 8.081 1.00 0.00 H new ATOM 0 HA ALA A 57 12.964 -1.808 9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.347 -1.247 7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.124 -3.005 8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.185 -2.095 6.893 1.00 0.00 H new ATOM 823 N CYS A 58 10.516 -0.424 8.856 1.00 0.00 N ATOM 824 CA CYS A 58 9.765 0.823 8.638 1.00 0.00 C ATOM 825 C CYS A 58 8.807 1.095 9.796 1.00 0.00 C ATOM 826 O CYS A 58 8.435 0.188 10.540 1.00 0.00 O ATOM 827 CB CYS A 58 8.974 0.754 7.301 1.00 0.00 C ATOM 828 SG CYS A 58 9.465 2.095 6.179 1.00 0.00 S ATOM 0 H CYS A 58 9.946 -1.214 9.158 1.00 0.00 H new ATOM 0 HA CYS A 58 10.483 1.642 8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.150 -0.209 6.821 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.905 0.819 7.504 1.00 0.00 H new ATOM 833 N ARG A 59 8.397 2.358 9.914 1.00 0.00 N ATOM 834 CA ARG A 59 7.458 2.767 10.954 1.00 0.00 C ATOM 835 C ARG A 59 6.736 4.046 10.541 1.00 0.00 C ATOM 836 O ARG A 59 7.056 4.645 9.514 1.00 0.00 O ATOM 837 CB ARG A 59 8.177 2.966 12.305 1.00 0.00 C ATOM 838 CG ARG A 59 9.212 4.128 12.255 1.00 0.00 C ATOM 839 CD ARG A 59 10.597 3.619 11.838 1.00 0.00 C ATOM 840 NE ARG A 59 11.585 4.728 11.981 1.00 0.00 N ATOM 841 CZ ARG A 59 11.924 5.156 13.169 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.525 4.515 14.234 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.661 6.227 13.291 1.00 0.00 N ATOM 0 H ARG A 59 8.702 3.114 9.301 1.00 0.00 H new ATOM 0 HA ARG A 59 6.722 1.972 11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.439 3.172 13.080 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.684 2.042 12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.874 4.889 11.552 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.276 4.604 13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.889 2.772 12.458 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.574 3.266 10.807 1.00 0.00 H new ATOM 0 HE ARG A 59 11.997 5.153 11.150 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.948 3.679 14.140 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.790 4.850 15.160 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.972 6.729 12.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.926 6.561 14.218 1.00 0.00 H new ATOM 857 N ASN A 60 5.770 4.463 11.348 1.00 0.00 N ATOM 858 CA ASN A 60 5.018 5.676 11.055 1.00 0.00 C ATOM 859 C ASN A 60 4.463 5.637 9.638 1.00 0.00 C ATOM 860 O ASN A 60 4.758 6.515 8.827 1.00 0.00 O ATOM 861 CB ASN A 60 5.924 6.902 11.204 1.00 0.00 C ATOM 862 CG ASN A 60 6.281 7.103 12.677 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.410 7.264 13.508 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.535 7.103 13.036 1.00 0.00 N ATOM 0 H ASN A 60 5.490 3.984 12.204 1.00 0.00 H new ATOM 0 HA ASN A 60 4.189 5.740 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.831 6.769 10.615 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.420 7.788 10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.785 7.238 14.016 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.266 6.968 12.337 1.00 0.00 H new ATOM 871 N THR A 61 3.647 4.628 9.340 1.00 0.00 N ATOM 872 CA THR A 61 3.047 4.501 8.013 1.00 0.00 C ATOM 873 C THR A 61 1.633 5.077 8.031 1.00 0.00 C ATOM 874 O THR A 61 0.890 4.878 8.993 1.00 0.00 O ATOM 875 CB THR A 61 2.983 3.023 7.584 1.00 0.00 C ATOM 876 OG1 THR A 61 1.897 2.395 8.237 1.00 0.00 O ATOM 877 CG2 THR A 61 4.287 2.307 7.959 1.00 0.00 C ATOM 0 H THR A 61 3.387 3.890 9.995 1.00 0.00 H new ATOM 0 HA THR A 61 3.665 5.050 7.302 1.00 0.00 H new ATOM 0 HB THR A 61 2.847 2.969 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.598 1.626 7.708 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.230 1.263 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.125 2.789 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.434 2.360 9.038 1.00 0.00 H new ATOM 885 N GLN A 62 1.266 5.806 6.976 1.00 0.00 N ATOM 886 CA GLN A 62 -0.064 6.420 6.909 1.00 0.00 C ATOM 887 C GLN A 62 -0.489 6.690 5.466 1.00 0.00 C ATOM 888 O GLN A 62 0.311 6.577 4.537 1.00 0.00 O ATOM 889 CB GLN A 62 -0.067 7.734 7.700 1.00 0.00 C ATOM 890 CG GLN A 62 1.061 8.651 7.205 1.00 0.00 C ATOM 891 CD GLN A 62 1.262 9.802 8.195 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.958 10.939 7.894 1.00 0.00 O ATOM 893 NE2 GLN A 62 1.766 9.551 9.372 1.00 0.00 N ATOM 0 H GLN A 62 1.860 5.985 6.166 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.777 5.720 7.345 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.029 8.234 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.061 7.528 8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.985 8.083 7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.816 9.045 6.219 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.021 8.596 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.905 10.310 10.040 1.00 0.00 H new ATOM 902 N LEU A 63 -1.767 7.040 5.298 1.00 0.00 N ATOM 903 CA LEU A 63 -2.335 7.324 3.976 1.00 0.00 C ATOM 904 C LEU A 63 -2.137 8.786 3.595 1.00 0.00 C ATOM 905 O LEU A 63 -2.508 9.688 4.345 1.00 0.00 O ATOM 906 CB LEU A 63 -3.839 7.015 3.998 1.00 0.00 C ATOM 907 CG LEU A 63 -4.457 7.146 2.581 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.163 5.891 1.742 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.977 7.323 2.699 1.00 0.00 C ATOM 0 H LEU A 63 -2.432 7.134 6.066 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.825 6.701 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.001 6.006 4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.344 7.697 4.683 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.014 8.013 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.605 6.003 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.085 5.762 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.590 5.017 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.411 7.415 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.406 6.457 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.195 8.223 3.274 1.00 0.00 H new ATOM 921 N ALA A 64 -1.555 9.011 2.415 1.00 0.00 N ATOM 922 CA ALA A 64 -1.312 10.367 1.914 1.00 0.00 C ATOM 923 C ALA A 64 -1.993 10.573 0.559 1.00 0.00 C ATOM 924 O ALA A 64 -1.876 9.741 -0.338 1.00 0.00 O ATOM 925 CB ALA A 64 0.186 10.588 1.768 1.00 0.00 C ATOM 0 H ALA A 64 -1.242 8.271 1.787 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.727 11.083 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.371 11.596 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.668 10.466 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.594 9.861 1.066 1.00 0.00 H new ATOM 931 N GLY A 65 -2.701 11.691 0.416 1.00 0.00 N ATOM 932 CA GLY A 65 -3.379 12.004 -0.835 1.00 0.00 C ATOM 933 C GLY A 65 -4.649 11.201 -1.058 1.00 0.00 C ATOM 934 O GLY A 65 -5.721 11.776 -1.224 1.00 0.00 O ATOM 0 H GLY A 65 -2.819 12.391 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.624 13.066 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.695 11.823 -1.664 1.00 0.00 H new ATOM 938 N SER A 66 -4.519 9.873 -1.035 1.00 0.00 N ATOM 939 CA SER A 66 -5.667 8.968 -1.223 1.00 0.00 C ATOM 940 C SER A 66 -5.201 7.574 -1.629 1.00 0.00 C ATOM 941 O SER A 66 -5.774 6.574 -1.196 1.00 0.00 O ATOM 942 CB SER A 66 -6.631 9.499 -2.309 1.00 0.00 C ATOM 943 OG SER A 66 -5.877 10.032 -3.388 1.00 0.00 O ATOM 0 H SER A 66 -3.630 9.394 -0.888 1.00 0.00 H new ATOM 0 HA SER A 66 -6.190 8.919 -0.268 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.276 8.695 -2.663 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.281 10.267 -1.890 1.00 0.00 H new ATOM 0 HG SER A 66 -6.486 10.368 -4.078 1.00 0.00 H new ATOM 949 N SER A 67 -4.176 7.512 -2.482 1.00 0.00 N ATOM 950 CA SER A 67 -3.655 6.229 -2.965 1.00 0.00 C ATOM 951 C SER A 67 -2.141 6.170 -2.835 1.00 0.00 C ATOM 952 O SER A 67 -1.496 5.373 -3.507 1.00 0.00 O ATOM 953 CB SER A 67 -4.050 6.030 -4.436 1.00 0.00 C ATOM 954 OG SER A 67 -3.014 6.517 -5.281 1.00 0.00 O ATOM 0 H SER A 67 -3.692 8.330 -2.852 1.00 0.00 H new ATOM 0 HA SER A 67 -4.086 5.435 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.228 4.973 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.981 6.555 -4.647 1.00 0.00 H new ATOM 0 HG SER A 67 -2.210 5.970 -5.161 1.00 0.00 H new ATOM 960 N GLU A 68 -1.575 7.004 -1.959 1.00 0.00 N ATOM 961 CA GLU A 68 -0.122 7.013 -1.740 1.00 0.00 C ATOM 962 C GLU A 68 0.192 6.544 -0.330 1.00 0.00 C ATOM 963 O GLU A 68 -0.538 6.840 0.617 1.00 0.00 O ATOM 964 CB GLU A 68 0.465 8.414 -1.960 1.00 0.00 C ATOM 965 CG GLU A 68 -0.075 9.011 -3.270 1.00 0.00 C ATOM 966 CD GLU A 68 0.822 10.170 -3.719 1.00 0.00 C ATOM 967 OE1 GLU A 68 1.800 9.904 -4.400 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.519 11.299 -3.371 1.00 0.00 O ATOM 0 H GLU A 68 -2.093 7.677 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 68 0.332 6.334 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.206 9.061 -1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.553 8.360 -1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.109 8.244 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.096 9.364 -3.126 1.00 0.00 H new ATOM 975 N LEU A 69 1.285 5.796 -0.210 1.00 0.00 N ATOM 976 CA LEU A 69 1.725 5.256 1.077 1.00 0.00 C ATOM 977 C LEU A 69 2.978 5.990 1.523 1.00 0.00 C ATOM 978 O LEU A 69 4.009 5.948 0.860 1.00 0.00 O ATOM 979 CB LEU A 69 1.962 3.736 0.909 1.00 0.00 C ATOM 980 CG LEU A 69 2.702 3.028 2.103 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.206 2.895 1.822 1.00 0.00 C ATOM 982 CD2 LEU A 69 2.505 3.740 3.460 1.00 0.00 C ATOM 0 H LEU A 69 1.888 5.547 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 69 0.971 5.401 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.997 3.250 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.541 3.575 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 69 2.245 2.041 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.691 2.402 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.357 2.303 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.639 3.886 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.043 3.197 4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.890 4.758 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.443 3.768 3.705 1.00 0.00 H new ATOM 994 N ALA A 70 2.865 6.672 2.660 1.00 0.00 N ATOM 995 CA ALA A 70 3.978 7.426 3.234 1.00 0.00 C ATOM 996 C ALA A 70 4.478 6.698 4.470 1.00 0.00 C ATOM 997 O ALA A 70 3.682 6.223 5.275 1.00 0.00 O ATOM 998 CB ALA A 70 3.518 8.825 3.607 1.00 0.00 C ATOM 0 H ALA A 70 2.005 6.718 3.207 1.00 0.00 H new ATOM 0 HA ALA A 70 4.783 7.507 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.353 9.381 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.158 9.339 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.713 8.760 4.339 1.00 0.00 H new ATOM 1004 N ALA A 71 5.791 6.603 4.615 1.00 0.00 N ATOM 1005 CA ALA A 71 6.368 5.917 5.762 1.00 0.00 C ATOM 1006 C ALA A 71 7.843 6.256 5.896 1.00 0.00 C ATOM 1007 O ALA A 71 8.407 6.965 5.064 1.00 0.00 O ATOM 1008 CB ALA A 71 6.199 4.413 5.598 1.00 0.00 C ATOM 0 H ALA A 71 6.472 6.988 3.960 1.00 0.00 H new ATOM 0 HA ALA A 71 5.851 6.245 6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.632 3.902 6.458 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.138 4.171 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.706 4.087 4.690 1.00 0.00 H new ATOM 1014 N GLU A 72 8.461 5.734 6.951 1.00 0.00 N ATOM 1015 CA GLU A 72 9.883 5.963 7.213 1.00 0.00 C ATOM 1016 C GLU A 72 10.602 4.619 7.270 1.00 0.00 C ATOM 1017 O GLU A 72 10.276 3.799 8.114 1.00 0.00 O ATOM 1018 CB GLU A 72 10.037 6.714 8.557 1.00 0.00 C ATOM 1019 CG GLU A 72 10.001 8.240 8.350 1.00 0.00 C ATOM 1020 CD GLU A 72 10.451 8.945 9.634 1.00 0.00 C ATOM 1021 OE1 GLU A 72 9.802 8.758 10.649 1.00 0.00 O ATOM 1022 OE2 GLU A 72 11.439 9.658 9.578 1.00 0.00 O ATOM 0 H GLU A 72 7.998 5.146 7.644 1.00 0.00 H new ATOM 0 HA GLU A 72 10.321 6.567 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.237 6.418 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.978 6.431 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.652 8.520 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.993 8.557 8.084 1.00 0.00 H new ATOM 1029 N CYS A 73 11.597 4.412 6.389 1.00 0.00 N ATOM 1030 CA CYS A 73 12.371 3.152 6.362 1.00 0.00 C ATOM 1031 C CYS A 73 13.841 3.426 6.683 1.00 0.00 C ATOM 1032 O CYS A 73 14.390 4.465 6.317 1.00 0.00 O ATOM 1033 CB CYS A 73 12.239 2.466 4.983 1.00 0.00 C ATOM 1034 SG CYS A 73 10.875 1.268 4.996 1.00 0.00 S ATOM 0 H CYS A 73 11.885 5.095 5.689 1.00 0.00 H new ATOM 0 HA CYS A 73 11.968 2.481 7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.064 3.217 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.172 1.961 4.731 1.00 0.00 H new ATOM 1039 N LYS A 74 14.454 2.480 7.389 1.00 0.00 N ATOM 1040 CA LYS A 74 15.849 2.602 7.804 1.00 0.00 C ATOM 1041 C LYS A 74 16.821 2.458 6.626 1.00 0.00 C ATOM 1042 O LYS A 74 16.751 1.505 5.851 1.00 0.00 O ATOM 1043 CB LYS A 74 16.143 1.534 8.889 1.00 0.00 C ATOM 1044 CG LYS A 74 16.916 2.153 10.059 1.00 0.00 C ATOM 1045 CD LYS A 74 17.241 1.067 11.088 1.00 0.00 C ATOM 1046 CE LYS A 74 17.896 1.698 12.320 1.00 0.00 C ATOM 1047 NZ LYS A 74 18.533 0.630 13.140 1.00 0.00 N ATOM 0 H LYS A 74 14.003 1.615 7.687 1.00 0.00 H new ATOM 0 HA LYS A 74 16.001 3.602 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.207 1.107 9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.720 0.717 8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.836 2.614 9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.324 2.943 10.522 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.330 0.543 11.377 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.909 0.326 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.642 2.431 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.150 2.230 12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.979 1.055 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.810 -0.054 13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.256 0.142 12.573 1.00 0.00 H new ATOM 1061 N THR A 75 17.718 3.433 6.507 1.00 0.00 N ATOM 1062 CA THR A 75 18.707 3.441 5.434 1.00 0.00 C ATOM 1063 C THR A 75 19.801 2.403 5.690 1.00 0.00 C ATOM 1064 O THR A 75 19.863 1.799 6.761 1.00 0.00 O ATOM 1065 CB THR A 75 19.363 4.833 5.289 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.774 5.296 6.567 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.359 5.822 4.688 1.00 0.00 C ATOM 0 H THR A 75 17.780 4.229 7.142 1.00 0.00 H new ATOM 0 HA THR A 75 18.181 3.194 4.512 1.00 0.00 H new ATOM 0 HB THR A 75 20.228 4.755 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.087 5.888 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.828 6.801 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.044 5.469 3.706 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.490 5.900 5.341 1.00 0.00 H new ATOM 1075 N ALA A 76 20.659 2.202 4.693 1.00 0.00 N ATOM 1076 CA ALA A 76 21.747 1.236 4.811 1.00 0.00 C ATOM 1077 C ALA A 76 22.677 1.607 5.961 1.00 0.00 C ATOM 1078 O ALA A 76 23.334 0.745 6.543 1.00 0.00 O ATOM 1079 CB ALA A 76 22.532 1.184 3.509 1.00 0.00 C ATOM 0 H ALA A 76 20.622 2.692 3.799 1.00 0.00 H new ATOM 0 HA ALA A 76 21.318 0.255 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.343 0.462 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.870 0.884 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.946 2.169 3.294 1.00 0.00 H new ATOM 1085 N ALA A 77 22.730 2.899 6.278 1.00 0.00 N ATOM 1086 CA ALA A 77 23.587 3.387 7.358 1.00 0.00 C ATOM 1087 C ALA A 77 22.885 3.269 8.706 1.00 0.00 C ATOM 1088 O ALA A 77 23.529 3.333 9.753 1.00 0.00 O ATOM 1089 CB ALA A 77 23.953 4.839 7.100 1.00 0.00 C ATOM 0 H ALA A 77 22.192 3.625 5.805 1.00 0.00 H new ATOM 0 HA ALA A 77 24.490 2.777 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.592 5.202 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.485 4.917 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.045 5.441 7.058 1.00 0.00 H new ATOM 1095 N GLY A 78 21.563 3.082 8.682 1.00 0.00 N ATOM 1096 CA GLY A 78 20.787 2.946 9.910 1.00 0.00 C ATOM 1097 C GLY A 78 20.005 4.207 10.255 1.00 0.00 C ATOM 1098 O GLY A 78 19.743 4.469 11.428 1.00 0.00 O ATOM 0 H GLY A 78 21.012 3.022 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.094 2.111 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.458 2.703 10.734 1.00 0.00 H new ATOM 1102 N GLN A 79 19.625 4.991 9.233 1.00 0.00 N ATOM 1103 CA GLN A 79 18.860 6.238 9.452 1.00 0.00 C ATOM 1104 C GLN A 79 17.522 6.193 8.713 1.00 0.00 C ATOM 1105 O GLN A 79 17.460 5.868 7.530 1.00 0.00 O ATOM 1106 CB GLN A 79 19.667 7.459 8.959 1.00 0.00 C ATOM 1107 CG GLN A 79 20.722 7.877 10.001 1.00 0.00 C ATOM 1108 CD GLN A 79 21.207 9.298 9.697 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.939 9.830 8.637 1.00 0.00 O ATOM 1110 NE2 GLN A 79 21.904 9.942 10.591 1.00 0.00 N ATOM 0 H GLN A 79 19.831 4.790 8.254 1.00 0.00 H new ATOM 0 HA GLN A 79 18.675 6.330 10.522 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.157 7.219 8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 79 18.992 8.292 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.296 7.834 11.003 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.562 7.183 9.982 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.129 9.496 11.480 1.00 0.00 H new ATOM 0 HE22 GLN A 79 22.224 10.892 10.401 1.00 0.00 H new ATOM 1119 N PHE A 80 16.458 6.533 9.433 1.00 0.00 N ATOM 1120 CA PHE A 80 15.113 6.539 8.871 1.00 0.00 C ATOM 1121 C PHE A 80 14.849 7.796 8.030 1.00 0.00 C ATOM 1122 O PHE A 80 14.863 8.912 8.544 1.00 0.00 O ATOM 1123 CB PHE A 80 14.098 6.484 10.021 1.00 0.00 C ATOM 1124 CG PHE A 80 14.038 5.092 10.621 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.311 4.071 9.970 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.688 4.820 11.847 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.234 2.783 10.544 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.615 3.530 12.416 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.889 2.512 11.764 1.00 0.00 C ATOM 0 H PHE A 80 16.503 6.810 10.414 1.00 0.00 H new ATOM 0 HA PHE A 80 15.013 5.672 8.218 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.374 7.205 10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.112 6.770 9.655 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.814 4.275 9.033 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.241 5.600 12.349 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.673 2.004 10.049 1.00 0.00 H new ATOM 0 HE2 PHE A 80 15.115 3.323 13.351 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.834 1.525 12.199 1.00 0.00 H new ATOM 1139 N VAL A 81 14.587 7.595 6.735 1.00 0.00 N ATOM 1140 CA VAL A 81 14.286 8.704 5.812 1.00 0.00 C ATOM 1141 C VAL A 81 12.806 8.658 5.444 1.00 0.00 C ATOM 1142 O VAL A 81 12.121 7.717 5.812 1.00 0.00 O ATOM 1143 CB VAL A 81 15.121 8.595 4.526 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.592 8.843 4.856 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.961 7.195 3.936 1.00 0.00 C ATOM 0 H VAL A 81 14.576 6.674 6.297 1.00 0.00 H new ATOM 0 HA VAL A 81 14.531 9.643 6.309 1.00 0.00 H new ATOM 0 HB VAL A 81 14.779 9.336 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.187 8.766 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.706 9.840 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.934 8.100 5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.552 7.115 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.305 6.454 4.658 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.911 7.015 3.705 1.00 0.00 H new ATOM 1155 N SER A 82 12.310 9.655 4.706 1.00 0.00 N ATOM 1156 CA SER A 82 10.894 9.674 4.306 1.00 0.00 C ATOM 1157 C SER A 82 10.713 8.984 2.957 1.00 0.00 C ATOM 1158 O SER A 82 11.249 9.439 1.947 1.00 0.00 O ATOM 1159 CB SER A 82 10.399 11.125 4.209 1.00 0.00 C ATOM 1160 OG SER A 82 10.108 11.610 5.511 1.00 0.00 O ATOM 0 H SER A 82 12.856 10.451 4.376 1.00 0.00 H new ATOM 0 HA SER A 82 10.313 9.140 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.158 11.749 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.509 11.176 3.582 1.00 0.00 H new ATOM 0 HG SER A 82 9.794 12.536 5.452 1.00 0.00 H new ATOM 1166 N THR A 83 9.966 7.876 2.946 1.00 0.00 N ATOM 1167 CA THR A 83 9.729 7.122 1.710 1.00 0.00 C ATOM 1168 C THR A 83 8.268 7.180 1.290 1.00 0.00 C ATOM 1169 O THR A 83 7.363 7.186 2.125 1.00 0.00 O ATOM 1170 CB THR A 83 10.101 5.642 1.894 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.091 4.999 2.661 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.450 5.518 2.616 1.00 0.00 C ATOM 0 H THR A 83 9.517 7.483 3.773 1.00 0.00 H new ATOM 0 HA THR A 83 10.352 7.582 0.943 1.00 0.00 H new ATOM 0 HB THR A 83 10.182 5.169 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.845 5.568 3.420 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.701 4.465 2.740 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.225 6.009 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.384 5.992 3.595 1.00 0.00 H new ATOM 1180 N LYS A 84 8.054 7.221 -0.025 1.00 0.00 N ATOM 1181 CA LYS A 84 6.706 7.274 -0.591 1.00 0.00 C ATOM 1182 C LYS A 84 6.580 6.293 -1.751 1.00 0.00 C ATOM 1183 O LYS A 84 7.573 5.920 -2.375 1.00 0.00 O ATOM 1184 CB LYS A 84 6.402 8.699 -1.081 1.00 0.00 C ATOM 1185 CG LYS A 84 7.424 9.143 -2.171 1.00 0.00 C ATOM 1186 CD LYS A 84 6.835 8.966 -3.585 1.00 0.00 C ATOM 1187 CE LYS A 84 7.811 9.521 -4.633 1.00 0.00 C ATOM 1188 NZ LYS A 84 7.669 11.002 -4.707 1.00 0.00 N ATOM 0 H LYS A 84 8.800 7.219 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 84 5.990 6.998 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.391 8.740 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.437 9.392 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.697 10.187 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.338 8.557 -2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.642 7.911 -3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.878 9.483 -3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.835 9.256 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.607 9.076 -5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.844 11.319 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.706 11.273 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.358 11.449 -4.069 1.00 0.00 H new ATOM 1202 N ILE A 85 5.351 5.893 -2.039 1.00 0.00 N ATOM 1203 CA ILE A 85 5.089 4.968 -3.133 1.00 0.00 C ATOM 1204 C ILE A 85 3.601 4.994 -3.457 1.00 0.00 C ATOM 1205 O ILE A 85 2.761 4.960 -2.558 1.00 0.00 O ATOM 1206 CB ILE A 85 5.546 3.534 -2.769 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.406 2.575 -3.992 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.716 3.016 -1.589 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.510 1.486 -3.956 1.00 0.00 C ATOM 0 H ILE A 85 4.519 6.194 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 85 5.658 5.278 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 85 6.598 3.564 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.423 2.105 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.478 3.144 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.038 2.007 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.858 3.671 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.661 3.002 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.398 0.826 -4.816 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.491 1.961 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.418 0.905 -3.038 1.00 0.00 H new ATOM 1221 N ASN A 86 3.279 5.066 -4.745 1.00 0.00 N ATOM 1222 CA ASN A 86 1.885 5.113 -5.175 1.00 0.00 C ATOM 1223 C ASN A 86 1.288 3.711 -5.130 1.00 0.00 C ATOM 1224 O ASN A 86 1.753 2.814 -5.827 1.00 0.00 O ATOM 1225 CB ASN A 86 1.813 5.712 -6.603 1.00 0.00 C ATOM 1226 CG ASN A 86 0.615 6.664 -6.733 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.479 6.410 -6.068 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.681 7.647 -7.444 1.00 0.00 N flip ATOM 0 H ASN A 86 3.959 5.093 -5.505 1.00 0.00 H new ATOM 0 HA ASN A 86 1.305 5.748 -4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.736 6.248 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.727 4.909 -7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.537 7.844 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.119 8.275 -7.522 1.00 0.00 H new ATOM 1235 N LEU A 87 0.241 3.540 -4.327 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.427 2.251 -4.202 1.00 0.00 C ATOM 1237 C LEU A 87 -1.153 1.893 -5.493 1.00 0.00 C ATOM 1238 O LEU A 87 -1.304 0.718 -5.826 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.420 2.309 -3.037 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.687 2.525 -1.704 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.741 2.706 -0.605 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.227 1.317 -1.377 1.00 0.00 C ATOM 0 H LEU A 87 -0.162 4.280 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 87 0.320 1.481 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.132 3.118 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.993 1.383 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.053 3.409 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.245 2.861 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.363 3.571 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.366 1.815 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.736 1.492 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.377 0.413 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.966 1.195 -2.169 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.594 2.912 -6.217 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.301 2.696 -7.472 1.00 0.00 C ATOM 1256 C ASP A 88 -1.386 2.073 -8.522 1.00 0.00 C ATOM 1257 O ASP A 88 -1.855 1.524 -9.518 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.829 4.027 -8.004 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.696 5.046 -8.064 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.554 4.635 -7.963 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -1.989 6.220 -8.223 1.00 0.00 O ATOM 0 H ASP A 88 -1.476 3.892 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.127 2.013 -7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.258 3.888 -8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.628 4.395 -7.360 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.084 2.185 -8.306 1.00 0.00 N ATOM 1267 CA ASP A 89 0.885 1.654 -9.256 1.00 0.00 C ATOM 1268 C ASP A 89 0.652 0.163 -9.524 1.00 0.00 C ATOM 1269 O ASP A 89 1.033 -0.346 -10.578 1.00 0.00 O ATOM 1270 CB ASP A 89 2.312 1.887 -8.720 1.00 0.00 C ATOM 1271 CG ASP A 89 3.307 2.005 -9.882 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.095 1.347 -10.888 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.258 2.757 -9.747 1.00 0.00 O ATOM 0 H ASP A 89 0.325 2.635 -7.487 1.00 0.00 H new ATOM 0 HA ASP A 89 0.761 2.179 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.337 2.795 -8.118 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.601 1.063 -8.067 1.00 0.00 H new ATOM 1278 N HIS A 90 0.032 -0.537 -8.571 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.230 -1.974 -8.732 1.00 0.00 C ATOM 1280 C HIS A 90 -1.517 -2.386 -8.025 1.00 0.00 C ATOM 1281 O HIS A 90 -2.324 -3.131 -8.578 1.00 0.00 O ATOM 1282 CB HIS A 90 0.928 -2.787 -8.150 1.00 0.00 C ATOM 1283 CG HIS A 90 2.160 -2.615 -8.992 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.337 -3.289 -10.191 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.294 -1.865 -8.813 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.540 -2.937 -10.680 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.166 -2.072 -9.878 1.00 0.00 N ATOM 0 H HIS A 90 -0.295 -0.141 -7.690 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.332 -2.171 -9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.130 -2.466 -7.128 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.655 -3.841 -8.104 1.00 0.00 H new ATOM 0 HD1 HIS A 90 1.676 -3.934 -10.623 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.482 -1.213 -7.973 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.949 -3.309 -11.608 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.697 -1.918 -6.795 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.890 -2.271 -6.032 1.00 0.00 C ATOM 1297 C ILE A 91 -4.136 -1.947 -6.842 1.00 0.00 C ATOM 1298 O ILE A 91 -4.390 -0.791 -7.178 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.952 -1.513 -4.688 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.612 -1.649 -3.923 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.107 -2.057 -3.840 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.455 -3.037 -3.278 1.00 0.00 C ATOM 0 H ILE A 91 -1.044 -1.303 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.843 -3.340 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.124 -0.455 -4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.783 -1.472 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.556 -0.882 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.147 -1.520 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.047 -1.920 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.949 -3.118 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.502 -3.088 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.268 -3.204 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.484 -3.803 -4.052 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.909 -2.985 -7.164 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.136 -2.836 -7.951 1.00 0.00 C ATOM 1316 C ALA A 92 -7.345 -3.239 -7.117 1.00 0.00 C ATOM 1317 O ALA A 92 -7.210 -3.632 -5.958 1.00 0.00 O ATOM 1318 CB ALA A 92 -6.057 -3.724 -9.183 1.00 0.00 C ATOM 0 H ALA A 92 -4.705 -3.946 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.241 -1.794 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.969 -3.614 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.199 -3.431 -9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.946 -4.764 -8.876 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.527 -3.151 -7.722 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.777 -3.516 -7.050 1.00 0.00 C ATOM 1326 C ASN A 93 -10.466 -4.638 -7.818 1.00 0.00 C ATOM 1327 O ASN A 93 -10.801 -4.479 -8.991 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.701 -2.306 -6.992 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.941 -2.642 -6.162 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.836 -3.204 -5.089 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.120 -2.319 -6.617 1.00 0.00 N ATOM 0 H ASN A 93 -8.648 -2.828 -8.682 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.552 -3.852 -6.038 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.177 -1.457 -6.553 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.995 -2.012 -8.000 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.954 -2.538 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.208 -1.848 -7.517 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.669 -5.774 -7.151 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.314 -6.938 -7.769 1.00 0.00 C ATOM 1340 C ILE A 94 -12.598 -7.280 -7.018 1.00 0.00 C ATOM 1341 O ILE A 94 -12.558 -7.751 -5.882 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.375 -8.173 -7.734 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.950 -7.794 -8.209 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.946 -9.292 -8.613 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.885 -7.627 -9.736 1.00 0.00 C ATOM 0 H ILE A 94 -10.396 -5.916 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.539 -6.687 -8.806 1.00 0.00 H new ATOM 0 HB ILE A 94 -10.309 -8.527 -6.705 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.641 -6.866 -7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.245 -8.565 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.280 -10.154 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.930 -9.580 -8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.034 -8.938 -9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.870 -7.361 -10.030 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.169 -8.563 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.570 -6.838 -10.045 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.736 -7.036 -7.661 1.00 0.00 N ATOM 1358 CA ASP A 95 -15.030 -7.315 -7.046 1.00 0.00 C ATOM 1359 C ASP A 95 -15.150 -6.578 -5.709 1.00 0.00 C ATOM 1360 O ASP A 95 -15.856 -7.020 -4.802 1.00 0.00 O ATOM 1361 CB ASP A 95 -15.209 -8.839 -6.850 1.00 0.00 C ATOM 1362 CG ASP A 95 -15.766 -9.474 -8.132 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -16.945 -9.294 -8.392 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -15.006 -10.127 -8.827 1.00 0.00 O ATOM 0 H ASP A 95 -13.789 -6.648 -8.603 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.820 -6.958 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.253 -9.295 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.886 -9.029 -6.017 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.469 -5.438 -5.606 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.511 -4.624 -4.398 1.00 0.00 C ATOM 1371 C GLY A 96 -13.493 -5.051 -3.358 1.00 0.00 C ATOM 1372 O GLY A 96 -13.619 -4.706 -2.183 1.00 0.00 O ATOM 0 H GLY A 96 -13.881 -5.059 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.335 -3.581 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.510 -4.679 -3.964 1.00 0.00 H new ATOM 1376 N THR A 97 -12.477 -5.799 -3.788 1.00 0.00 N ATOM 1377 CA THR A 97 -11.421 -6.272 -2.882 1.00 0.00 C ATOM 1378 C THR A 97 -10.068 -5.753 -3.349 1.00 0.00 C ATOM 1379 O THR A 97 -9.814 -5.660 -4.545 1.00 0.00 O ATOM 1380 CB THR A 97 -11.369 -7.809 -2.857 1.00 0.00 C ATOM 1381 OG1 THR A 97 -11.005 -8.287 -4.143 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.742 -8.364 -2.474 1.00 0.00 C ATOM 0 H THR A 97 -12.360 -6.093 -4.758 1.00 0.00 H new ATOM 0 HA THR A 97 -11.646 -5.901 -1.882 1.00 0.00 H new ATOM 0 HB THR A 97 -10.632 -8.136 -2.123 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.814 -8.471 -4.665 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.702 -9.453 -2.457 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.021 -7.996 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.483 -8.039 -3.205 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.198 -5.414 -2.403 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.871 -4.904 -2.745 1.00 0.00 C ATOM 1392 C LEU A 98 -6.915 -6.053 -3.049 1.00 0.00 C ATOM 1393 O LEU A 98 -6.634 -6.885 -2.187 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.311 -4.074 -1.586 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.331 -3.013 -1.145 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.808 -2.298 0.107 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.548 -1.984 -2.270 1.00 0.00 C ATOM 0 H LEU A 98 -9.383 -5.481 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.966 -4.277 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.069 -4.726 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.383 -3.591 -1.892 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.280 -3.501 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.529 -1.544 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.667 -3.024 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.856 -1.817 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.273 -1.237 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.602 -1.494 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.923 -2.491 -3.159 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.408 -6.080 -4.282 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.461 -7.114 -4.721 1.00 0.00 C ATOM 1411 C LYS A 99 -4.252 -6.438 -5.370 1.00 0.00 C ATOM 1412 O LYS A 99 -4.342 -5.306 -5.838 1.00 0.00 O ATOM 1413 CB LYS A 99 -6.135 -8.056 -5.756 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.766 -9.301 -5.087 1.00 0.00 C ATOM 1415 CD LYS A 99 -8.095 -8.944 -4.395 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.925 -10.223 -4.183 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.020 -11.353 -3.830 1.00 0.00 N ATOM 0 H LYS A 99 -6.637 -5.394 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.147 -7.702 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.905 -7.507 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.395 -8.375 -6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.939 -10.073 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.072 -9.716 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.900 -8.462 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.654 -8.232 -5.003 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.656 -10.067 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.484 -10.460 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.568 -12.105 -3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.580 -11.729 -4.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.279 -11.015 -3.183 1.00 0.00 H new ATOM 1431 N TYR A 100 -3.132 -7.154 -5.417 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.910 -6.636 -6.038 1.00 0.00 C ATOM 1433 C TYR A 100 -1.801 -7.182 -7.459 1.00 0.00 C ATOM 1434 O TYR A 100 -2.006 -8.375 -7.688 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.690 -7.062 -5.212 1.00 0.00 C ATOM 1436 CG TYR A 100 0.590 -6.698 -5.936 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.107 -5.388 -5.845 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.277 -7.674 -6.694 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.305 -5.054 -6.514 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.477 -7.338 -7.357 1.00 0.00 C ATOM 1441 CZ TYR A 100 2.989 -6.027 -7.270 1.00 0.00 C ATOM 1442 OH TYR A 100 4.208 -5.723 -7.839 1.00 0.00 O ATOM 0 H TYR A 100 -3.042 -8.095 -5.033 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.946 -5.547 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.715 -6.575 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.721 -8.137 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.587 -4.641 -5.264 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.883 -8.677 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.698 -4.050 -6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.004 -8.086 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 100 4.546 -6.504 -8.326 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.486 -6.304 -8.413 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.357 -6.701 -9.821 1.00 0.00 C ATOM 1454 C GLU A 101 0.005 -6.284 -10.366 1.00 0.00 C ATOM 1455 O GLU A 101 0.243 -6.502 -11.542 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.456 -6.039 -10.659 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.835 -6.305 -10.039 1.00 0.00 C ATOM 1458 CD GLU A 101 -4.216 -7.774 -10.229 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -4.174 -8.237 -11.357 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.552 -8.410 -9.243 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.802 -5.781 -9.591 1.00 0.00 O ATOM 0 H GLU A 101 -1.315 -5.314 -8.239 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.455 -7.785 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.279 -4.965 -10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.428 -6.425 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.820 -6.059 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.583 -5.663 -10.505 1.00 0.00 H new