USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.09 K(o=1.3,f=-2!) USER MOD Set 1.2: A 49 THR OG1 : rot 62:sc= 0.246! USER MOD Set 2.1: A 2 THR OG1 : rot -154:sc= 1.25 USER MOD Set 2.2: A 5 GLN : amide:sc= 1.43 K(o=2.7,f=-2.1!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -174:sc= 1.25 (180deg=0.714) USER MOD Set 3.2: A 29 TYR OH : rot 161:sc= 1.69 USER MOD Single : A 1 LEU N :NH3+ -117:sc= 0.0819 (180deg=-0.916) USER MOD Single : A 9 SER OG : rot 60:sc= 1.14 USER MOD Single : A 10 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.071) USER MOD Single : A 15 HIS : no HE2:sc= -0.149 K(o=-0.15,f=-5.1!) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00878 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.964 K(o=0.96,f=-0.12) USER MOD Single : A 33 GLN : amide:sc= 3.08 K(o=3.1,f=-6.9!) USER MOD Single : A 35 TYR OH : rot -19:sc= 1.21 USER MOD Single : A 37 SER OG : rot 110:sc= 0.471 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 54 THR OG1 : rot -68:sc= 1.78 USER MOD Single : A 56 SER OG : rot 47:sc= 1.12 USER MOD Single : A 59 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.58) USER MOD Single : A 60 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-5.1!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 14.226 10.816 -1.075 1.00 0.00 N ATOM 2 CA LEU A 1 13.273 9.728 -0.879 1.00 0.00 C ATOM 3 C LEU A 1 12.513 9.888 0.452 1.00 0.00 C ATOM 4 O LEU A 1 12.822 10.785 1.237 1.00 0.00 O ATOM 5 CB LEU A 1 14.001 8.373 -1.027 1.00 0.00 C ATOM 6 CG LEU A 1 14.692 7.797 0.230 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.211 6.388 -0.072 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.869 8.649 0.715 1.00 0.00 C ATOM 0 H1 LEU A 1 13.960 11.363 -1.918 1.00 0.00 H new ATOM 0 H2 LEU A 1 14.218 11.438 -0.242 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.180 10.423 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 1 12.504 9.762 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.277 7.638 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.755 8.479 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 1 13.941 7.787 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.698 5.982 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.377 5.746 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.928 6.432 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.310 8.190 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.620 8.714 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 1 15.516 9.650 0.963 1.00 0.00 H new ATOM 20 N THR A 2 11.539 9.010 0.721 1.00 0.00 N ATOM 21 CA THR A 2 10.736 9.003 1.946 1.00 0.00 C ATOM 22 C THR A 2 10.654 7.618 2.593 1.00 0.00 C ATOM 23 O THR A 2 11.087 6.618 2.014 1.00 0.00 O ATOM 24 CB THR A 2 9.307 9.544 1.719 1.00 0.00 C ATOM 25 OG1 THR A 2 8.496 8.533 1.155 1.00 0.00 O ATOM 26 CG2 THR A 2 9.230 10.819 0.877 1.00 0.00 C ATOM 0 H THR A 2 11.282 8.265 0.073 1.00 0.00 H new ATOM 0 HA THR A 2 11.260 9.672 2.628 1.00 0.00 H new ATOM 0 HB THR A 2 8.938 9.829 2.704 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.766 8.945 0.647 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.189 11.123 0.772 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.792 11.614 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.654 10.630 -0.109 1.00 0.00 H new ATOM 34 N LYS A 3 10.000 7.551 3.765 1.00 0.00 N ATOM 35 CA LYS A 3 9.621 6.312 4.452 1.00 0.00 C ATOM 36 C LYS A 3 8.930 5.313 3.518 1.00 0.00 C ATOM 37 O LYS A 3 9.200 4.121 3.622 1.00 0.00 O ATOM 38 CB LYS A 3 8.740 6.662 5.663 1.00 0.00 C ATOM 39 CG LYS A 3 8.492 5.463 6.594 1.00 0.00 C ATOM 40 CD LYS A 3 7.765 5.868 7.889 1.00 0.00 C ATOM 41 CE LYS A 3 6.369 6.465 7.666 1.00 0.00 C ATOM 42 NZ LYS A 3 5.402 5.459 7.192 1.00 0.00 N ATOM 0 H LYS A 3 9.713 8.387 4.274 1.00 0.00 H new ATOM 0 HA LYS A 3 10.527 5.814 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.214 7.463 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.782 7.045 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.901 4.714 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.445 4.998 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.675 4.992 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.377 6.594 8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.009 6.901 8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.434 7.275 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.502 5.925 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.778 4.988 6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.242 4.753 7.938 1.00 0.00 H new ATOM 56 N CYS A 4 8.116 5.788 2.564 1.00 0.00 N ATOM 57 CA CYS A 4 7.496 4.937 1.552 1.00 0.00 C ATOM 58 C CYS A 4 8.561 4.263 0.677 1.00 0.00 C ATOM 59 O CYS A 4 8.640 3.039 0.648 1.00 0.00 O ATOM 60 CB CYS A 4 6.485 5.754 0.731 1.00 0.00 C ATOM 61 SG CYS A 4 5.365 4.756 -0.286 1.00 0.00 S ATOM 0 H CYS A 4 7.872 6.775 2.477 1.00 0.00 H new ATOM 0 HA CYS A 4 6.947 4.133 2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.891 6.364 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.031 6.439 0.083 1.00 0.00 H new ATOM 66 N GLN A 5 9.424 5.047 0.016 1.00 0.00 N ATOM 67 CA GLN A 5 10.518 4.523 -0.810 1.00 0.00 C ATOM 68 C GLN A 5 11.464 3.610 -0.025 1.00 0.00 C ATOM 69 O GLN A 5 11.884 2.583 -0.554 1.00 0.00 O ATOM 70 CB GLN A 5 11.336 5.673 -1.418 1.00 0.00 C ATOM 71 CG GLN A 5 10.665 6.371 -2.606 1.00 0.00 C ATOM 72 CD GLN A 5 9.708 7.447 -2.129 1.00 0.00 C ATOM 73 OE1 GLN A 5 10.116 8.530 -1.749 1.00 0.00 O ATOM 74 NE2 GLN A 5 8.423 7.170 -2.074 1.00 0.00 N ATOM 0 H GLN A 5 9.382 6.066 0.040 1.00 0.00 H new ATOM 0 HA GLN A 5 10.049 3.933 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.532 6.413 -0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.302 5.284 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.425 6.814 -3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.126 5.639 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.083 6.263 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.767 7.863 -1.713 1.00 0.00 H new ATOM 83 N GLU A 6 11.788 3.963 1.221 1.00 0.00 N ATOM 84 CA GLU A 6 12.580 3.132 2.128 1.00 0.00 C ATOM 85 C GLU A 6 11.886 1.794 2.374 1.00 0.00 C ATOM 86 O GLU A 6 12.453 0.752 2.066 1.00 0.00 O ATOM 87 CB GLU A 6 12.793 3.877 3.449 1.00 0.00 C ATOM 88 CG GLU A 6 13.778 5.045 3.301 1.00 0.00 C ATOM 89 CD GLU A 6 13.867 5.864 4.588 1.00 0.00 C ATOM 90 OE1 GLU A 6 12.989 6.737 4.772 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.805 5.603 5.372 1.00 0.00 O ATOM 0 H GLU A 6 11.502 4.850 1.634 1.00 0.00 H new ATOM 0 HA GLU A 6 13.549 2.930 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.836 4.254 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.166 3.182 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.765 4.661 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.462 5.688 2.480 1.00 0.00 H new ATOM 98 N GLU A 7 10.646 1.810 2.874 1.00 0.00 N ATOM 99 CA GLU A 7 9.865 0.602 3.149 1.00 0.00 C ATOM 100 C GLU A 7 9.757 -0.299 1.908 1.00 0.00 C ATOM 101 O GLU A 7 10.009 -1.502 1.984 1.00 0.00 O ATOM 102 CB GLU A 7 8.487 0.987 3.690 1.00 0.00 C ATOM 103 CG GLU A 7 7.811 -0.163 4.449 1.00 0.00 C ATOM 104 CD GLU A 7 6.332 0.091 4.764 1.00 0.00 C ATOM 105 OE1 GLU A 7 5.904 1.269 4.715 1.00 0.00 O ATOM 106 OE2 GLU A 7 5.632 -0.910 5.028 1.00 0.00 O ATOM 0 H GLU A 7 10.152 2.673 3.101 1.00 0.00 H new ATOM 0 HA GLU A 7 10.385 0.020 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.588 1.846 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.849 1.296 2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.896 -1.075 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.348 -0.336 5.382 1.00 0.00 H new ATOM 113 N VAL A 8 9.434 0.304 0.758 1.00 0.00 N ATOM 114 CA VAL A 8 9.284 -0.380 -0.533 1.00 0.00 C ATOM 115 C VAL A 8 10.618 -0.926 -1.052 1.00 0.00 C ATOM 116 O VAL A 8 10.629 -1.944 -1.738 1.00 0.00 O ATOM 117 CB VAL A 8 8.632 0.571 -1.556 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.501 -0.009 -2.971 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.193 0.890 -1.129 1.00 0.00 C ATOM 0 H VAL A 8 9.265 1.308 0.697 1.00 0.00 H new ATOM 0 HA VAL A 8 8.632 -1.241 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 8 9.293 1.438 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.032 0.727 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.490 -0.257 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.887 -0.909 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.738 1.563 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.616 -0.033 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.202 1.368 -0.149 1.00 0.00 H new ATOM 129 N SER A 9 11.737 -0.281 -0.711 1.00 0.00 N ATOM 130 CA SER A 9 13.096 -0.778 -0.983 1.00 0.00 C ATOM 131 C SER A 9 13.536 -1.891 -0.021 1.00 0.00 C ATOM 132 O SER A 9 14.273 -2.785 -0.427 1.00 0.00 O ATOM 133 CB SER A 9 14.125 0.356 -0.892 1.00 0.00 C ATOM 134 OG SER A 9 13.785 1.430 -1.743 1.00 0.00 O ATOM 0 H SER A 9 11.728 0.618 -0.229 1.00 0.00 H new ATOM 0 HA SER A 9 13.056 -1.186 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.188 0.711 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.111 -0.023 -1.159 1.00 0.00 H new ATOM 0 HG SER A 9 12.909 1.787 -1.485 1.00 0.00 H new ATOM 140 N HIS A 10 13.140 -1.824 1.257 1.00 0.00 N ATOM 141 CA HIS A 10 13.556 -2.767 2.303 1.00 0.00 C ATOM 142 C HIS A 10 12.773 -4.087 2.279 1.00 0.00 C ATOM 143 O HIS A 10 13.337 -5.130 2.603 1.00 0.00 O ATOM 144 CB HIS A 10 13.429 -2.098 3.680 1.00 0.00 C ATOM 145 CG HIS A 10 14.295 -0.872 3.867 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.473 -0.584 3.213 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.025 0.175 4.707 1.00 0.00 C ATOM 148 CE1 HIS A 10 15.895 0.617 3.646 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.046 1.117 4.557 1.00 0.00 N ATOM 0 H HIS A 10 12.509 -1.099 1.599 1.00 0.00 H new ATOM 0 HA HIS A 10 14.596 -3.025 2.103 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.387 -1.819 3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.684 -2.828 4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.175 0.258 5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.794 1.111 3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.130 2.009 5.044 1.00 0.00 H new ATOM 157 N ILE A 11 11.492 -4.065 1.889 1.00 0.00 N ATOM 158 CA ILE A 11 10.704 -5.281 1.641 1.00 0.00 C ATOM 159 C ILE A 11 11.320 -6.040 0.444 1.00 0.00 C ATOM 160 O ILE A 11 11.580 -5.427 -0.593 1.00 0.00 O ATOM 161 CB ILE A 11 9.220 -4.902 1.426 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.623 -4.414 2.769 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.378 -6.078 0.894 1.00 0.00 C ATOM 164 CD1 ILE A 11 7.321 -3.625 2.613 1.00 0.00 C ATOM 0 H ILE A 11 10.971 -3.202 1.736 1.00 0.00 H new ATOM 0 HA ILE A 11 10.733 -5.951 2.500 1.00 0.00 H new ATOM 0 HB ILE A 11 9.189 -4.114 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.440 -5.277 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.357 -3.789 3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.345 -5.756 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.780 -6.410 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.412 -6.902 1.607 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.963 -3.316 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.502 -2.743 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.570 -4.253 2.134 1.00 0.00 H new ATOM 176 N PRO A 12 11.565 -7.362 0.530 1.00 0.00 N ATOM 177 CA PRO A 12 12.208 -8.110 -0.552 1.00 0.00 C ATOM 178 C PRO A 12 11.299 -8.272 -1.783 1.00 0.00 C ATOM 179 O PRO A 12 10.091 -8.040 -1.729 1.00 0.00 O ATOM 180 CB PRO A 12 12.569 -9.466 0.070 1.00 0.00 C ATOM 181 CG PRO A 12 11.501 -9.655 1.147 1.00 0.00 C ATOM 182 CD PRO A 12 11.291 -8.233 1.663 1.00 0.00 C ATOM 0 HA PRO A 12 13.084 -7.583 -0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.542 -10.267 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.572 -9.459 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.583 -10.077 0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.837 -10.327 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.273 -8.094 2.027 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.960 -8.015 2.496 1.00 0.00 H new ATOM 190 N ALA A 13 11.878 -8.716 -2.905 1.00 0.00 N ATOM 191 CA ALA A 13 11.111 -9.138 -4.079 1.00 0.00 C ATOM 192 C ALA A 13 10.354 -10.448 -3.792 1.00 0.00 C ATOM 193 O ALA A 13 9.190 -10.600 -4.154 1.00 0.00 O ATOM 194 CB ALA A 13 12.070 -9.295 -5.265 1.00 0.00 C ATOM 0 H ALA A 13 12.888 -8.792 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 13 10.364 -8.383 -4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.511 -9.609 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.559 -8.342 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.823 -10.046 -5.027 1.00 0.00 H new ATOM 200 N VAL A 14 10.994 -11.379 -3.069 1.00 0.00 N ATOM 201 CA VAL A 14 10.374 -12.600 -2.541 1.00 0.00 C ATOM 202 C VAL A 14 9.591 -12.250 -1.268 1.00 0.00 C ATOM 203 O VAL A 14 9.984 -12.591 -0.155 1.00 0.00 O ATOM 204 CB VAL A 14 11.417 -13.724 -2.327 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.729 -15.060 -1.998 1.00 0.00 C ATOM 206 CG2 VAL A 14 12.267 -13.956 -3.588 1.00 0.00 C ATOM 0 H VAL A 14 11.982 -11.300 -2.830 1.00 0.00 H new ATOM 0 HA VAL A 14 9.670 -13.001 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 14 12.048 -13.398 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.484 -15.832 -1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.141 -14.952 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.074 -15.344 -2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.988 -14.752 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.619 -14.242 -4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.798 -13.039 -3.843 1.00 0.00 H new ATOM 216 N HIS A 15 8.475 -11.541 -1.454 1.00 0.00 N ATOM 217 CA HIS A 15 7.494 -11.210 -0.416 1.00 0.00 C ATOM 218 C HIS A 15 6.077 -11.823 -0.545 1.00 0.00 C ATOM 219 O HIS A 15 5.309 -11.566 0.383 1.00 0.00 O ATOM 220 CB HIS A 15 7.397 -9.686 -0.252 1.00 0.00 C ATOM 221 CG HIS A 15 6.549 -9.014 -1.304 1.00 0.00 C ATOM 222 ND1 HIS A 15 5.238 -8.614 -1.161 1.00 0.00 N ATOM 223 CD2 HIS A 15 6.946 -8.684 -2.569 1.00 0.00 C ATOM 224 CE1 HIS A 15 4.873 -8.017 -2.307 1.00 0.00 C ATOM 225 NE2 HIS A 15 5.885 -8.019 -3.189 1.00 0.00 N ATOM 0 H HIS A 15 8.219 -11.167 -2.368 1.00 0.00 H new ATOM 0 HA HIS A 15 7.896 -11.693 0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.985 -9.461 0.732 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.401 -9.262 -0.282 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.653 -8.747 -0.336 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.908 -8.899 -3.011 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.898 -7.593 -2.494 1.00 0.00 H new ATOM 233 N PRO A 16 5.665 -12.597 -1.585 1.00 0.00 N ATOM 234 CA PRO A 16 4.352 -13.254 -1.628 1.00 0.00 C ATOM 235 C PRO A 16 3.941 -13.912 -0.301 1.00 0.00 C ATOM 236 O PRO A 16 4.568 -14.865 0.156 1.00 0.00 O ATOM 237 CB PRO A 16 4.412 -14.253 -2.786 1.00 0.00 C ATOM 238 CG PRO A 16 5.341 -13.546 -3.765 1.00 0.00 C ATOM 239 CD PRO A 16 6.359 -12.880 -2.839 1.00 0.00 C ATOM 0 HA PRO A 16 3.571 -12.511 -1.788 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.808 -15.219 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.428 -14.437 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.816 -14.247 -4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.808 -12.815 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.214 -13.535 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.744 -11.962 -3.284 1.00 0.00 H new ATOM 247 N GLY A 17 2.905 -13.349 0.328 1.00 0.00 N ATOM 248 CA GLY A 17 2.463 -13.638 1.692 1.00 0.00 C ATOM 249 C GLY A 17 2.444 -12.374 2.561 1.00 0.00 C ATOM 250 O GLY A 17 1.646 -12.290 3.492 1.00 0.00 O ATOM 0 H GLY A 17 2.324 -12.644 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.466 -14.077 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.126 -14.378 2.140 1.00 0.00 H new ATOM 254 N SER A 18 3.249 -11.358 2.220 1.00 0.00 N ATOM 255 CA SER A 18 3.348 -10.062 2.897 1.00 0.00 C ATOM 256 C SER A 18 3.132 -8.874 1.942 1.00 0.00 C ATOM 257 O SER A 18 3.206 -8.998 0.717 1.00 0.00 O ATOM 258 CB SER A 18 4.704 -9.959 3.600 1.00 0.00 C ATOM 259 OG SER A 18 4.695 -8.856 4.486 1.00 0.00 O ATOM 0 H SER A 18 3.881 -11.424 1.422 1.00 0.00 H new ATOM 0 HA SER A 18 2.546 -10.008 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.912 -10.878 4.149 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.499 -9.841 2.864 1.00 0.00 H new ATOM 0 HG SER A 18 5.563 -8.792 4.937 1.00 0.00 H new ATOM 265 N PHE A 19 2.849 -7.713 2.532 1.00 0.00 N ATOM 266 CA PHE A 19 2.529 -6.444 1.878 1.00 0.00 C ATOM 267 C PHE A 19 3.742 -5.813 1.164 1.00 0.00 C ATOM 268 O PHE A 19 4.891 -6.101 1.492 1.00 0.00 O ATOM 269 CB PHE A 19 1.970 -5.528 2.986 1.00 0.00 C ATOM 270 CG PHE A 19 1.700 -4.074 2.638 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.845 -3.731 1.574 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.280 -3.051 3.418 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.587 -2.381 1.280 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.998 -1.702 3.140 1.00 0.00 C ATOM 275 CZ PHE A 19 1.156 -1.366 2.069 1.00 0.00 C ATOM 0 H PHE A 19 2.836 -7.628 3.548 1.00 0.00 H new ATOM 0 HA PHE A 19 1.801 -6.598 1.082 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.037 -5.965 3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.670 -5.547 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.385 -4.508 0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.943 -3.305 4.232 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.049 -2.123 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.430 -0.924 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.945 -0.329 1.851 1.00 0.00 H new ATOM 285 N ARG A 20 3.464 -4.917 0.206 1.00 0.00 N ATOM 286 CA ARG A 20 4.399 -4.010 -0.470 1.00 0.00 C ATOM 287 C ARG A 20 3.676 -2.668 -0.687 1.00 0.00 C ATOM 288 O ARG A 20 2.687 -2.649 -1.422 1.00 0.00 O ATOM 289 CB ARG A 20 4.918 -4.617 -1.788 1.00 0.00 C ATOM 290 CG ARG A 20 5.517 -3.548 -2.725 1.00 0.00 C ATOM 291 CD ARG A 20 6.468 -4.121 -3.782 1.00 0.00 C ATOM 292 NE ARG A 20 7.869 -3.939 -3.374 1.00 0.00 N ATOM 293 CZ ARG A 20 8.692 -4.833 -2.851 1.00 0.00 C ATOM 294 NH1 ARG A 20 8.375 -6.098 -2.723 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.866 -4.446 -2.421 1.00 0.00 N ATOM 0 H ARG A 20 2.512 -4.800 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 20 5.284 -3.849 0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.675 -5.369 -1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.101 -5.128 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.705 -3.021 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.054 -2.812 -2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.261 -5.181 -3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.296 -3.628 -4.739 1.00 0.00 H new ATOM 0 HE ARG A 20 8.255 -3.005 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.461 -6.429 -3.033 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.042 -6.752 -2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.137 -3.465 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.510 -5.125 -2.016 1.00 0.00 H new ATOM 309 N PRO A 21 4.107 -1.566 -0.039 1.00 0.00 N ATOM 310 CA PRO A 21 3.514 -0.253 -0.254 1.00 0.00 C ATOM 311 C PRO A 21 3.659 0.277 -1.687 1.00 0.00 C ATOM 312 O PRO A 21 4.437 -0.225 -2.497 1.00 0.00 O ATOM 313 CB PRO A 21 4.169 0.707 0.746 1.00 0.00 C ATOM 314 CG PRO A 21 4.973 -0.173 1.696 1.00 0.00 C ATOM 315 CD PRO A 21 5.139 -1.509 0.980 1.00 0.00 C ATOM 0 HA PRO A 21 2.438 -0.334 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.813 1.424 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.417 1.282 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.941 0.275 1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.454 -0.300 2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.130 -1.588 0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.038 -2.339 1.680 1.00 0.00 H new ATOM 323 N LYS A 22 2.924 1.358 -1.952 1.00 0.00 N ATOM 324 CA LYS A 22 2.825 2.090 -3.218 1.00 0.00 C ATOM 325 C LYS A 22 3.063 3.581 -2.937 1.00 0.00 C ATOM 326 O LYS A 22 2.568 4.087 -1.926 1.00 0.00 O ATOM 327 CB LYS A 22 1.423 1.865 -3.835 1.00 0.00 C ATOM 328 CG LYS A 22 0.852 0.435 -3.800 1.00 0.00 C ATOM 329 CD LYS A 22 1.666 -0.578 -4.611 1.00 0.00 C ATOM 330 CE LYS A 22 1.066 -1.966 -4.402 1.00 0.00 C ATOM 331 NZ LYS A 22 1.922 -3.011 -4.991 1.00 0.00 N ATOM 0 H LYS A 22 2.336 1.778 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 22 3.572 1.733 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.720 2.521 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.458 2.188 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.801 0.100 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.170 0.453 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.651 -0.315 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.709 -0.565 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.940 -2.154 -3.336 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.074 -2.008 -4.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.489 -3.944 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.021 -2.843 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.860 -2.985 -4.543 1.00 0.00 H new ATOM 345 N CYS A 23 3.754 4.310 -3.818 1.00 0.00 N ATOM 346 CA CYS A 23 4.105 5.723 -3.600 1.00 0.00 C ATOM 347 C CYS A 23 3.875 6.573 -4.853 1.00 0.00 C ATOM 348 O CYS A 23 3.860 6.054 -5.968 1.00 0.00 O ATOM 349 CB CYS A 23 5.581 5.838 -3.164 1.00 0.00 C ATOM 350 SG CYS A 23 6.284 4.545 -2.090 1.00 0.00 S ATOM 0 H CYS A 23 4.089 3.939 -4.707 1.00 0.00 H new ATOM 0 HA CYS A 23 3.452 6.103 -2.814 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.189 5.883 -4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.700 6.793 -2.652 1.00 0.00 H new ATOM 355 N ASP A 24 3.693 7.885 -4.664 1.00 0.00 N ATOM 356 CA ASP A 24 3.324 8.825 -5.718 1.00 0.00 C ATOM 357 C ASP A 24 4.473 9.729 -6.201 1.00 0.00 C ATOM 358 O ASP A 24 5.598 9.666 -5.712 1.00 0.00 O ATOM 359 CB ASP A 24 2.103 9.654 -5.283 1.00 0.00 C ATOM 360 CG ASP A 24 2.478 10.887 -4.460 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.197 10.735 -3.451 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.122 11.996 -4.917 1.00 0.00 O ATOM 0 H ASP A 24 3.802 8.328 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 24 3.066 8.219 -6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.551 9.970 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.433 9.024 -4.698 1.00 0.00 H new ATOM 367 N GLU A 25 4.146 10.639 -7.128 1.00 0.00 N ATOM 368 CA GLU A 25 5.061 11.645 -7.681 1.00 0.00 C ATOM 369 C GLU A 25 5.709 12.539 -6.609 1.00 0.00 C ATOM 370 O GLU A 25 6.862 12.933 -6.752 1.00 0.00 O ATOM 371 CB GLU A 25 4.286 12.486 -8.710 1.00 0.00 C ATOM 372 CG GLU A 25 5.140 13.565 -9.392 1.00 0.00 C ATOM 373 CD GLU A 25 4.351 14.264 -10.500 1.00 0.00 C ATOM 374 OE1 GLU A 25 3.496 15.104 -10.146 1.00 0.00 O ATOM 375 OE2 GLU A 25 4.599 13.929 -11.679 1.00 0.00 O ATOM 0 H GLU A 25 3.208 10.697 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 25 5.892 11.124 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.876 11.824 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.441 12.963 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.465 14.298 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.039 13.113 -9.810 1.00 0.00 H new ATOM 382 N ASN A 26 4.994 12.815 -5.513 1.00 0.00 N ATOM 383 CA ASN A 26 5.483 13.581 -4.366 1.00 0.00 C ATOM 384 C ASN A 26 6.264 12.704 -3.362 1.00 0.00 C ATOM 385 O ASN A 26 6.496 13.127 -2.228 1.00 0.00 O ATOM 386 CB ASN A 26 4.289 14.287 -3.696 1.00 0.00 C ATOM 387 CG ASN A 26 3.544 15.214 -4.645 1.00 0.00 C ATOM 388 OD1 ASN A 26 3.934 16.346 -4.868 1.00 0.00 O ATOM 389 ND2 ASN A 26 2.452 14.763 -5.230 1.00 0.00 N ATOM 0 H ASN A 26 4.030 12.501 -5.398 1.00 0.00 H new ATOM 0 HA ASN A 26 6.195 14.327 -4.721 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.598 13.537 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.645 14.860 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.932 15.362 -5.871 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.127 13.815 -5.042 1.00 0.00 H new ATOM 396 N GLY A 27 6.610 11.460 -3.728 1.00 0.00 N ATOM 397 CA GLY A 27 7.346 10.510 -2.894 1.00 0.00 C ATOM 398 C GLY A 27 6.582 10.032 -1.656 1.00 0.00 C ATOM 399 O GLY A 27 7.139 9.290 -0.847 1.00 0.00 O ATOM 0 H GLY A 27 6.375 11.079 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.612 9.643 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.279 10.973 -2.574 1.00 0.00 H new ATOM 403 N ASN A 28 5.320 10.428 -1.487 1.00 0.00 N ATOM 404 CA ASN A 28 4.483 10.054 -0.354 1.00 0.00 C ATOM 405 C ASN A 28 3.785 8.722 -0.664 1.00 0.00 C ATOM 406 O ASN A 28 3.827 8.247 -1.802 1.00 0.00 O ATOM 407 CB ASN A 28 3.494 11.203 -0.084 1.00 0.00 C ATOM 408 CG ASN A 28 4.109 12.344 0.720 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.707 12.610 1.841 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.086 13.064 0.202 1.00 0.00 N ATOM 0 H ASN A 28 4.842 11.034 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 28 5.071 9.902 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.129 11.592 -1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.630 10.812 0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.494 13.830 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.433 12.854 -0.734 1.00 0.00 H new ATOM 417 N TYR A 29 3.137 8.112 0.334 1.00 0.00 N ATOM 418 CA TYR A 29 2.334 6.913 0.102 1.00 0.00 C ATOM 419 C TYR A 29 1.182 7.256 -0.847 1.00 0.00 C ATOM 420 O TYR A 29 0.479 8.250 -0.648 1.00 0.00 O ATOM 421 CB TYR A 29 1.819 6.326 1.424 1.00 0.00 C ATOM 422 CG TYR A 29 2.888 5.665 2.280 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.778 6.451 3.036 1.00 0.00 C ATOM 424 CD2 TYR A 29 2.986 4.259 2.332 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.759 5.846 3.838 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.964 3.645 3.139 1.00 0.00 C ATOM 427 CZ TYR A 29 4.854 4.441 3.892 1.00 0.00 C ATOM 428 OH TYR A 29 5.818 3.872 4.663 1.00 0.00 O ATOM 0 H TYR A 29 3.154 8.428 1.304 1.00 0.00 H new ATOM 0 HA TYR A 29 2.957 6.147 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.350 7.122 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.043 5.593 1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.706 7.528 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.309 3.651 1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.440 6.457 4.413 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.033 2.568 3.181 1.00 0.00 H new ATOM 0 HH TYR A 29 5.580 2.940 4.849 1.00 0.00 H new ATOM 438 N LEU A 30 1.002 6.441 -1.894 1.00 0.00 N ATOM 439 CA LEU A 30 -0.121 6.579 -2.816 1.00 0.00 C ATOM 440 C LEU A 30 -1.434 6.474 -2.010 1.00 0.00 C ATOM 441 O LEU A 30 -1.535 5.556 -1.194 1.00 0.00 O ATOM 442 CB LEU A 30 -0.077 5.494 -3.912 1.00 0.00 C ATOM 443 CG LEU A 30 0.373 5.995 -5.295 1.00 0.00 C ATOM 444 CD1 LEU A 30 0.676 4.804 -6.206 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.680 6.874 -5.971 1.00 0.00 C ATOM 0 H LEU A 30 1.631 5.671 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.062 7.548 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.597 4.700 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.069 5.051 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 30 1.266 6.599 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.994 5.166 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.471 4.202 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.221 4.195 -6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.312 7.200 -6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.599 6.304 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.881 7.746 -5.348 1.00 0.00 H new ATOM 457 N PRO A 31 -2.438 7.350 -2.212 1.00 0.00 N ATOM 458 CA PRO A 31 -3.697 7.307 -1.466 1.00 0.00 C ATOM 459 C PRO A 31 -4.399 5.939 -1.411 1.00 0.00 C ATOM 460 O PRO A 31 -5.113 5.699 -0.445 1.00 0.00 O ATOM 461 CB PRO A 31 -4.581 8.396 -2.072 1.00 0.00 C ATOM 462 CG PRO A 31 -3.554 9.422 -2.549 1.00 0.00 C ATOM 463 CD PRO A 31 -2.378 8.564 -3.010 1.00 0.00 C ATOM 0 HA PRO A 31 -3.485 7.485 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.188 8.016 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.267 8.818 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.946 10.034 -3.361 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.265 10.102 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.452 8.337 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.432 9.084 -2.860 1.00 0.00 H new ATOM 471 N LEU A 32 -4.189 5.046 -2.392 1.00 0.00 N ATOM 472 CA LEU A 32 -4.578 3.631 -2.370 1.00 0.00 C ATOM 473 C LEU A 32 -3.327 2.767 -2.122 1.00 0.00 C ATOM 474 O LEU A 32 -2.308 2.939 -2.793 1.00 0.00 O ATOM 475 CB LEU A 32 -5.240 3.249 -3.713 1.00 0.00 C ATOM 476 CG LEU A 32 -5.797 1.806 -3.757 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.110 1.648 -3.004 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.051 1.354 -5.196 1.00 0.00 C ATOM 0 H LEU A 32 -3.722 5.305 -3.261 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.297 3.458 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.052 3.947 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.509 3.369 -4.513 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.031 1.195 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.447 0.614 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.963 1.912 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.862 2.305 -3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.442 0.337 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.776 2.020 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.117 1.383 -5.757 1.00 0.00 H new ATOM 490 N GLN A 33 -3.425 1.792 -1.213 1.00 0.00 N ATOM 491 CA GLN A 33 -2.424 0.743 -0.992 1.00 0.00 C ATOM 492 C GLN A 33 -3.067 -0.630 -1.188 1.00 0.00 C ATOM 493 O GLN A 33 -4.247 -0.804 -0.880 1.00 0.00 O ATOM 494 CB GLN A 33 -1.878 0.823 0.440 1.00 0.00 C ATOM 495 CG GLN A 33 -1.196 2.147 0.794 1.00 0.00 C ATOM 496 CD GLN A 33 0.090 2.412 0.030 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.051 1.665 0.111 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.189 3.502 -0.694 1.00 0.00 N ATOM 0 H GLN A 33 -4.229 1.708 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.611 0.885 -1.704 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.699 0.656 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.165 0.012 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.893 2.963 0.604 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.979 2.156 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.606 4.137 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.061 3.715 -1.179 1.00 0.00 H new ATOM 507 N CYS A 34 -2.286 -1.617 -1.646 1.00 0.00 N ATOM 508 CA CYS A 34 -2.768 -2.978 -1.878 1.00 0.00 C ATOM 509 C CYS A 34 -1.756 -4.039 -1.429 1.00 0.00 C ATOM 510 O CYS A 34 -0.545 -3.853 -1.526 1.00 0.00 O ATOM 511 CB CYS A 34 -3.118 -3.154 -3.361 1.00 0.00 C ATOM 512 SG CYS A 34 -4.411 -2.063 -4.023 1.00 0.00 S ATOM 0 H CYS A 34 -1.298 -1.490 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.663 -3.124 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.211 -3.002 -3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.429 -4.187 -3.518 1.00 0.00 H new ATOM 517 N TYR A 35 -2.273 -5.185 -0.985 1.00 0.00 N ATOM 518 CA TYR A 35 -1.532 -6.333 -0.465 1.00 0.00 C ATOM 519 C TYR A 35 -1.674 -7.480 -1.475 1.00 0.00 C ATOM 520 O TYR A 35 -2.462 -8.414 -1.309 1.00 0.00 O ATOM 521 CB TYR A 35 -2.030 -6.583 0.969 1.00 0.00 C ATOM 522 CG TYR A 35 -1.395 -7.646 1.854 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.530 -8.653 1.372 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.737 -7.627 3.221 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.051 -9.648 2.247 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.245 -8.607 4.099 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.408 -9.630 3.615 1.00 0.00 C ATOM 528 OH TYR A 35 0.046 -10.579 4.479 1.00 0.00 O ATOM 0 H TYR A 35 -3.280 -5.346 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.456 -6.188 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.949 -5.636 1.503 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.092 -6.820 0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.236 -8.660 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.385 -6.850 3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.593 -10.429 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.509 -8.576 5.146 1.00 0.00 H new ATOM 0 HH TYR A 35 0.347 -11.363 3.975 1.00 0.00 H new ATOM 538 N GLY A 36 -0.891 -7.355 -2.555 1.00 0.00 N ATOM 539 CA GLY A 36 -0.931 -8.150 -3.785 1.00 0.00 C ATOM 540 C GLY A 36 -1.242 -9.636 -3.602 1.00 0.00 C ATOM 541 O GLY A 36 -2.190 -10.129 -4.206 1.00 0.00 O ATOM 0 H GLY A 36 -0.161 -6.644 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.680 -7.720 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.032 -8.058 -4.287 1.00 0.00 H new ATOM 545 N SER A 37 -0.479 -10.344 -2.761 1.00 0.00 N ATOM 546 CA SER A 37 -0.611 -11.795 -2.568 1.00 0.00 C ATOM 547 C SER A 37 -1.949 -12.267 -1.978 1.00 0.00 C ATOM 548 O SER A 37 -2.216 -13.464 -2.024 1.00 0.00 O ATOM 549 CB SER A 37 0.558 -12.323 -1.737 1.00 0.00 C ATOM 550 OG SER A 37 0.637 -11.678 -0.481 1.00 0.00 O ATOM 0 H SER A 37 0.254 -9.923 -2.190 1.00 0.00 H new ATOM 0 HA SER A 37 -0.591 -12.217 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.444 -13.397 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.490 -12.174 -2.283 1.00 0.00 H new ATOM 0 HG SER A 37 0.389 -12.309 0.227 1.00 0.00 H new ATOM 556 N ILE A 38 -2.793 -11.367 -1.450 1.00 0.00 N ATOM 557 CA ILE A 38 -4.178 -11.656 -1.071 1.00 0.00 C ATOM 558 C ILE A 38 -5.190 -10.842 -1.895 1.00 0.00 C ATOM 559 O ILE A 38 -6.394 -11.061 -1.768 1.00 0.00 O ATOM 560 CB ILE A 38 -4.383 -11.461 0.445 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.014 -10.047 0.936 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.633 -12.547 1.235 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.537 -9.733 2.344 1.00 0.00 C ATOM 0 H ILE A 38 -2.523 -10.400 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.368 -12.704 -1.303 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.452 -11.566 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.929 -9.939 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.413 -9.312 0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.789 -12.393 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.010 -13.529 0.951 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.568 -12.489 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.241 -8.722 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.624 -9.808 2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.118 -10.445 3.055 1.00 0.00 H new ATOM 575 N GLY A 39 -4.730 -9.913 -2.747 1.00 0.00 N ATOM 576 CA GLY A 39 -5.539 -9.073 -3.633 1.00 0.00 C ATOM 577 C GLY A 39 -6.355 -7.978 -2.932 1.00 0.00 C ATOM 578 O GLY A 39 -7.226 -7.387 -3.564 1.00 0.00 O ATOM 0 H GLY A 39 -3.733 -9.720 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.880 -8.602 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.223 -9.714 -4.189 1.00 0.00 H new ATOM 582 N TYR A 40 -6.117 -7.730 -1.640 1.00 0.00 N ATOM 583 CA TYR A 40 -6.842 -6.718 -0.862 1.00 0.00 C ATOM 584 C TYR A 40 -6.240 -5.325 -1.064 1.00 0.00 C ATOM 585 O TYR A 40 -5.040 -5.198 -1.319 1.00 0.00 O ATOM 586 CB TYR A 40 -6.787 -7.066 0.638 1.00 0.00 C ATOM 587 CG TYR A 40 -7.982 -7.837 1.166 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.274 -9.128 0.685 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.803 -7.254 2.152 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.380 -9.833 1.195 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.912 -7.954 2.660 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.199 -9.251 2.184 1.00 0.00 C ATOM 593 OH TYR A 40 -11.269 -9.932 2.673 1.00 0.00 O ATOM 0 H TYR A 40 -5.410 -8.229 -1.100 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.875 -6.712 -1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.886 -7.650 0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.692 -6.141 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.650 -9.576 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.579 -6.264 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.602 -10.824 0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.541 -7.501 3.411 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.724 -9.386 3.348 1.00 0.00 H new ATOM 603 N CYS A 41 -7.051 -4.281 -0.848 1.00 0.00 N ATOM 604 CA CYS A 41 -6.599 -2.889 -0.796 1.00 0.00 C ATOM 605 C CYS A 41 -7.268 -2.099 0.334 1.00 0.00 C ATOM 606 O CYS A 41 -8.285 -2.521 0.886 1.00 0.00 O ATOM 607 CB CYS A 41 -6.849 -2.189 -2.142 1.00 0.00 C ATOM 608 SG CYS A 41 -6.187 -2.995 -3.628 1.00 0.00 S ATOM 0 H CYS A 41 -8.055 -4.384 -0.702 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.529 -2.913 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.926 -2.076 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.427 -1.185 -2.085 1.00 0.00 H new ATOM 613 N TRP A 42 -6.699 -0.935 0.655 1.00 0.00 N ATOM 614 CA TRP A 42 -7.254 0.095 1.539 1.00 0.00 C ATOM 615 C TRP A 42 -6.770 1.474 1.074 1.00 0.00 C ATOM 616 O TRP A 42 -5.788 1.575 0.332 1.00 0.00 O ATOM 617 CB TRP A 42 -6.843 -0.160 2.994 1.00 0.00 C ATOM 618 CG TRP A 42 -5.376 -0.269 3.250 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.553 0.738 3.626 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.546 -1.461 3.135 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.272 0.236 3.779 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.210 -1.106 3.468 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.790 -2.805 2.773 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.161 -2.035 3.442 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.745 -3.746 2.737 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.434 -3.366 3.071 1.00 0.00 C ATOM 0 H TRP A 42 -5.786 -0.670 0.284 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.342 0.061 1.490 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.240 0.647 3.610 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.320 -1.081 3.329 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.848 1.765 3.781 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.472 0.791 4.084 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.793 -3.114 2.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.157 -1.734 3.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.952 -4.767 2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.637 -4.094 3.043 1.00 0.00 H new ATOM 637 N CYS A 43 -7.417 2.545 1.540 1.00 0.00 N ATOM 638 CA CYS A 43 -6.890 3.893 1.344 1.00 0.00 C ATOM 639 C CYS A 43 -5.963 4.245 2.511 1.00 0.00 C ATOM 640 O CYS A 43 -6.156 3.763 3.630 1.00 0.00 O ATOM 641 CB CYS A 43 -8.000 4.947 1.225 1.00 0.00 C ATOM 642 SG CYS A 43 -9.178 4.771 -0.139 1.00 0.00 S ATOM 0 H CYS A 43 -8.299 2.504 2.051 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.340 3.901 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.564 4.949 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.527 5.925 1.137 1.00 0.00 H new ATOM 647 N VAL A 44 -5.001 5.140 2.279 1.00 0.00 N ATOM 648 CA VAL A 44 -4.123 5.696 3.312 1.00 0.00 C ATOM 649 C VAL A 44 -4.005 7.215 3.192 1.00 0.00 C ATOM 650 O VAL A 44 -4.198 7.790 2.121 1.00 0.00 O ATOM 651 CB VAL A 44 -2.693 5.115 3.261 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.660 3.612 3.535 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.970 5.408 1.942 1.00 0.00 C ATOM 0 H VAL A 44 -4.806 5.507 1.348 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.591 5.420 4.257 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.159 5.628 4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.631 3.256 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.066 3.414 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.259 3.093 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.971 4.973 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.532 4.974 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.893 6.486 1.801 1.00 0.00 H new ATOM 663 N PHE A 45 -3.634 7.858 4.298 1.00 0.00 N ATOM 664 CA PHE A 45 -3.183 9.246 4.303 1.00 0.00 C ATOM 665 C PHE A 45 -1.717 9.270 3.796 1.00 0.00 C ATOM 666 O PHE A 45 -1.050 8.231 3.838 1.00 0.00 O ATOM 667 CB PHE A 45 -3.326 9.808 5.725 1.00 0.00 C ATOM 668 CG PHE A 45 -4.770 9.913 6.194 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.588 10.955 5.714 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.309 8.970 7.091 1.00 0.00 C ATOM 671 CE1 PHE A 45 -6.929 11.052 6.130 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.647 9.067 7.509 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.459 10.109 7.028 1.00 0.00 C ATOM 0 H PHE A 45 -3.638 7.426 5.222 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.783 9.875 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.773 9.171 6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.867 10.796 5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.185 11.682 5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.689 8.166 7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.552 11.852 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.051 8.342 8.199 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.488 10.185 7.348 1.00 0.00 H new ATOM 683 N PRO A 46 -1.169 10.413 3.331 1.00 0.00 N ATOM 684 CA PRO A 46 0.137 10.480 2.652 1.00 0.00 C ATOM 685 C PRO A 46 1.346 9.859 3.379 1.00 0.00 C ATOM 686 O PRO A 46 2.327 9.504 2.726 1.00 0.00 O ATOM 687 CB PRO A 46 0.373 11.971 2.386 1.00 0.00 C ATOM 688 CG PRO A 46 -1.041 12.523 2.232 1.00 0.00 C ATOM 689 CD PRO A 46 -1.842 11.704 3.240 1.00 0.00 C ATOM 0 HA PRO A 46 0.076 9.861 1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.905 12.448 3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.968 12.131 1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.084 13.589 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.417 12.393 1.217 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.870 12.199 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.875 11.584 2.913 1.00 0.00 H new ATOM 697 N ASN A 47 1.281 9.689 4.708 1.00 0.00 N ATOM 698 CA ASN A 47 2.292 9.038 5.536 1.00 0.00 C ATOM 699 C ASN A 47 2.146 7.501 5.647 1.00 0.00 C ATOM 700 O ASN A 47 2.967 6.873 6.313 1.00 0.00 O ATOM 701 CB ASN A 47 2.290 9.697 6.930 1.00 0.00 C ATOM 702 CG ASN A 47 1.178 9.187 7.840 1.00 0.00 C ATOM 703 OD1 ASN A 47 0.093 8.808 7.406 1.00 0.00 O ATOM 704 ND2 ASN A 47 1.420 9.125 9.135 1.00 0.00 N ATOM 0 H ASN A 47 0.485 10.018 5.254 1.00 0.00 H new ATOM 0 HA ASN A 47 3.251 9.184 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.252 9.518 7.410 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.188 10.776 6.813 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.708 8.764 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.319 9.438 9.501 1.00 0.00 H new ATOM 711 N GLY A 48 1.104 6.906 5.049 1.00 0.00 N ATOM 712 CA GLY A 48 0.818 5.467 5.078 1.00 0.00 C ATOM 713 C GLY A 48 -0.255 5.041 6.092 1.00 0.00 C ATOM 714 O GLY A 48 -0.545 3.850 6.191 1.00 0.00 O ATOM 0 H GLY A 48 0.414 7.433 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.501 5.154 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.741 4.932 5.302 1.00 0.00 H new ATOM 718 N THR A 49 -0.858 5.978 6.836 1.00 0.00 N ATOM 719 CA THR A 49 -1.895 5.683 7.844 1.00 0.00 C ATOM 720 C THR A 49 -3.194 5.265 7.156 1.00 0.00 C ATOM 721 O THR A 49 -3.768 6.069 6.427 1.00 0.00 O ATOM 722 CB THR A 49 -2.185 6.900 8.743 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.995 7.442 9.254 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.076 6.543 9.934 1.00 0.00 C ATOM 0 H THR A 49 -0.641 6.971 6.757 1.00 0.00 H new ATOM 0 HA THR A 49 -1.515 4.872 8.466 1.00 0.00 H new ATOM 0 HB THR A 49 -2.699 7.623 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.432 7.751 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.251 7.434 10.537 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.029 6.156 9.573 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.584 5.784 10.542 1.00 0.00 H new ATOM 732 N GLU A 50 -3.670 4.033 7.374 1.00 0.00 N ATOM 733 CA GLU A 50 -4.929 3.537 6.803 1.00 0.00 C ATOM 734 C GLU A 50 -6.145 4.414 7.150 1.00 0.00 C ATOM 735 O GLU A 50 -6.338 4.809 8.298 1.00 0.00 O ATOM 736 CB GLU A 50 -5.160 2.075 7.234 1.00 0.00 C ATOM 737 CG GLU A 50 -6.457 1.492 6.645 1.00 0.00 C ATOM 738 CD GLU A 50 -6.648 0.000 6.932 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.696 -0.769 6.680 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.761 -0.348 7.386 1.00 0.00 O ATOM 0 H GLU A 50 -3.189 3.347 7.956 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.829 3.586 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.313 1.466 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.201 2.021 8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.308 2.042 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.458 1.648 5.566 1.00 0.00 H new ATOM 747 N VAL A 51 -6.998 4.649 6.145 1.00 0.00 N ATOM 748 CA VAL A 51 -8.328 5.248 6.280 1.00 0.00 C ATOM 749 C VAL A 51 -9.290 4.108 6.663 1.00 0.00 C ATOM 750 O VAL A 51 -9.506 3.211 5.832 1.00 0.00 O ATOM 751 CB VAL A 51 -8.780 5.909 4.963 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.157 6.568 5.122 1.00 0.00 C ATOM 753 CG2 VAL A 51 -7.792 6.984 4.482 1.00 0.00 C ATOM 0 H VAL A 51 -6.770 4.417 5.178 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.317 6.031 7.038 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.824 5.108 4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.452 7.027 4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.891 5.813 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.107 7.333 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.154 7.420 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.706 7.764 5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.815 6.531 4.314 1.00 0.00 H new ATOM 763 N PRO A 52 -9.818 4.081 7.907 1.00 0.00 N ATOM 764 CA PRO A 52 -10.600 2.963 8.437 1.00 0.00 C ATOM 765 C PRO A 52 -11.736 2.497 7.524 1.00 0.00 C ATOM 766 O PRO A 52 -12.319 3.281 6.776 1.00 0.00 O ATOM 767 CB PRO A 52 -11.152 3.438 9.784 1.00 0.00 C ATOM 768 CG PRO A 52 -10.100 4.437 10.251 1.00 0.00 C ATOM 769 CD PRO A 52 -9.657 5.094 8.946 1.00 0.00 C ATOM 0 HA PRO A 52 -9.954 2.089 8.527 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.132 3.904 9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.266 2.613 10.487 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.514 5.164 10.950 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.270 3.944 10.758 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.261 5.975 8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.621 5.426 9.009 1.00 0.00 H new ATOM 777 N ASN A 53 -12.055 1.202 7.613 1.00 0.00 N ATOM 778 CA ASN A 53 -13.137 0.523 6.892 1.00 0.00 C ATOM 779 C ASN A 53 -13.042 0.567 5.351 1.00 0.00 C ATOM 780 O ASN A 53 -13.917 0.011 4.692 1.00 0.00 O ATOM 781 CB ASN A 53 -14.501 1.010 7.427 1.00 0.00 C ATOM 782 CG ASN A 53 -14.670 0.739 8.914 1.00 0.00 C ATOM 783 OD1 ASN A 53 -14.210 1.483 9.765 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.321 -0.347 9.278 1.00 0.00 N ATOM 0 H ASN A 53 -11.539 0.566 8.221 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.026 -0.541 7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.600 2.080 7.242 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.302 0.516 6.877 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.439 -0.563 10.268 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.707 -0.972 8.570 1.00 0.00 H new ATOM 791 N THR A 54 -11.980 1.135 4.756 1.00 0.00 N ATOM 792 CA THR A 54 -11.728 1.017 3.311 1.00 0.00 C ATOM 793 C THR A 54 -11.236 -0.380 2.957 1.00 0.00 C ATOM 794 O THR A 54 -11.508 -0.846 1.854 1.00 0.00 O ATOM 795 CB THR A 54 -10.720 2.055 2.783 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.502 2.027 3.504 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.303 3.464 2.877 1.00 0.00 C ATOM 0 H THR A 54 -11.280 1.683 5.256 1.00 0.00 H new ATOM 0 HA THR A 54 -12.686 1.211 2.828 1.00 0.00 H new ATOM 0 HB THR A 54 -10.520 1.795 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.654 2.353 4.416 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.577 4.184 2.500 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.214 3.521 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.534 3.693 3.917 1.00 0.00 H new ATOM 805 N ARG A 55 -10.569 -1.063 3.903 1.00 0.00 N ATOM 806 CA ARG A 55 -9.958 -2.384 3.760 1.00 0.00 C ATOM 807 C ARG A 55 -10.911 -3.383 3.083 1.00 0.00 C ATOM 808 O ARG A 55 -11.840 -3.891 3.716 1.00 0.00 O ATOM 809 CB ARG A 55 -9.409 -2.844 5.125 1.00 0.00 C ATOM 810 CG ARG A 55 -8.590 -4.150 5.047 1.00 0.00 C ATOM 811 CD ARG A 55 -9.181 -5.303 5.873 1.00 0.00 C ATOM 812 NE ARG A 55 -10.567 -5.589 5.479 1.00 0.00 N ATOM 813 CZ ARG A 55 -11.336 -6.603 5.831 1.00 0.00 C ATOM 814 NH1 ARG A 55 -10.899 -7.573 6.596 1.00 0.00 N ATOM 815 NH2 ARG A 55 -12.571 -6.627 5.393 1.00 0.00 N ATOM 0 H ARG A 55 -10.438 -0.681 4.840 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.107 -2.328 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -8.782 -2.055 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.242 -2.986 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.519 -4.461 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.575 -3.952 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.572 -6.197 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.147 -5.048 6.932 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.994 -4.912 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.938 -7.559 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.520 -8.342 6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.915 -5.875 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.188 -7.398 5.649 1.00 0.00 H new ATOM 829 N SER A 56 -10.675 -3.652 1.796 1.00 0.00 N ATOM 830 CA SER A 56 -11.582 -4.384 0.909 1.00 0.00 C ATOM 831 C SER A 56 -10.863 -5.415 0.038 1.00 0.00 C ATOM 832 O SER A 56 -9.659 -5.327 -0.196 1.00 0.00 O ATOM 833 CB SER A 56 -12.307 -3.399 -0.023 1.00 0.00 C ATOM 834 OG SER A 56 -13.074 -2.459 0.694 1.00 0.00 O ATOM 0 H SER A 56 -9.819 -3.356 1.328 1.00 0.00 H new ATOM 0 HA SER A 56 -12.283 -4.913 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.574 -2.876 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.955 -3.953 -0.702 1.00 0.00 H new ATOM 0 HG SER A 56 -12.537 -2.089 1.426 1.00 0.00 H new ATOM 840 N ARG A 57 -11.666 -6.323 -0.534 1.00 0.00 N ATOM 841 CA ARG A 57 -11.346 -7.416 -1.469 1.00 0.00 C ATOM 842 C ARG A 57 -10.709 -6.977 -2.802 1.00 0.00 C ATOM 843 O ARG A 57 -10.328 -7.823 -3.611 1.00 0.00 O ATOM 844 CB ARG A 57 -12.652 -8.217 -1.699 1.00 0.00 C ATOM 845 CG ARG A 57 -12.647 -9.601 -1.021 1.00 0.00 C ATOM 846 CD ARG A 57 -12.135 -10.716 -1.944 1.00 0.00 C ATOM 847 NE ARG A 57 -10.880 -10.337 -2.597 1.00 0.00 N ATOM 848 CZ ARG A 57 -9.652 -10.754 -2.375 1.00 0.00 C ATOM 849 NH1 ARG A 57 -9.344 -11.814 -1.670 1.00 0.00 N ATOM 850 NH2 ARG A 57 -8.671 -10.051 -2.868 1.00 0.00 N ATOM 0 H ARG A 57 -12.666 -6.310 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.568 -8.029 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.496 -7.639 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.807 -8.346 -2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.023 -9.560 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.658 -9.843 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.985 -11.628 -1.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.888 -10.938 -2.701 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.972 -9.643 -3.338 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.082 -12.379 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.366 -12.075 -1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.868 -9.207 -3.406 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.706 -10.345 -2.716 1.00 0.00 H new ATOM 864 N GLY A 58 -10.596 -5.673 -3.030 1.00 0.00 N ATOM 865 CA GLY A 58 -9.958 -5.066 -4.195 1.00 0.00 C ATOM 866 C GLY A 58 -9.839 -3.543 -4.086 1.00 0.00 C ATOM 867 O GLY A 58 -10.170 -2.954 -3.055 1.00 0.00 O ATOM 0 H GLY A 58 -10.963 -4.978 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.964 -5.494 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.530 -5.317 -5.088 1.00 0.00 H new ATOM 871 N HIS A 59 -9.341 -2.932 -5.168 1.00 0.00 N ATOM 872 CA HIS A 59 -9.084 -1.498 -5.334 1.00 0.00 C ATOM 873 C HIS A 59 -10.323 -0.615 -5.093 1.00 0.00 C ATOM 874 O HIS A 59 -11.464 -1.069 -5.194 1.00 0.00 O ATOM 875 CB HIS A 59 -8.558 -1.249 -6.763 1.00 0.00 C ATOM 876 CG HIS A 59 -7.411 -2.135 -7.192 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.526 -3.336 -7.858 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.073 -1.872 -7.048 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.280 -3.792 -8.076 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.367 -2.938 -7.603 1.00 0.00 N ATOM 0 H HIS A 59 -9.091 -3.461 -6.004 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.349 -1.218 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.382 -1.384 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.241 -0.209 -6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.643 -0.995 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.048 -4.725 -8.568 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.353 -3.045 -7.641 1.00 0.00 H new ATOM 888 N HIS A 60 -10.090 0.679 -4.843 1.00 0.00 N ATOM 889 CA HIS A 60 -11.129 1.704 -4.707 1.00 0.00 C ATOM 890 C HIS A 60 -10.579 3.106 -5.037 1.00 0.00 C ATOM 891 O HIS A 60 -9.377 3.296 -5.229 1.00 0.00 O ATOM 892 CB HIS A 60 -11.813 1.614 -3.324 1.00 0.00 C ATOM 893 CG HIS A 60 -11.001 0.979 -2.221 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.175 -0.290 -1.718 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.942 1.531 -1.561 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.254 -0.466 -0.757 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.477 0.612 -0.634 1.00 0.00 N ATOM 0 H HIS A 60 -9.147 1.051 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.910 1.514 -5.444 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.088 2.621 -3.011 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.740 1.051 -3.436 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.873 -0.970 -2.019 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.535 2.517 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.155 -1.362 -0.162 1.00 0.00 H new ATOM 905 N ASN A 61 -11.470 4.097 -5.129 1.00 0.00 N ATOM 906 CA ASN A 61 -11.223 5.433 -5.642 1.00 0.00 C ATOM 907 C ASN A 61 -10.762 6.361 -4.518 1.00 0.00 C ATOM 908 O ASN A 61 -11.489 7.260 -4.096 1.00 0.00 O ATOM 909 CB ASN A 61 -12.490 5.937 -6.359 1.00 0.00 C ATOM 910 CG ASN A 61 -12.899 5.035 -7.513 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.581 4.039 -7.334 1.00 0.00 O ATOM 912 ND2 ASN A 61 -12.486 5.345 -8.726 1.00 0.00 N ATOM 0 H ASN A 61 -12.437 3.974 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.414 5.416 -6.372 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.309 6.000 -5.643 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.316 6.946 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.736 4.752 -9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.916 6.178 -8.873 1.00 0.00 H new ATOM 919 N CYS A 62 -9.553 6.110 -4.015 1.00 0.00 N ATOM 920 CA CYS A 62 -8.937 6.980 -3.018 1.00 0.00 C ATOM 921 C CYS A 62 -8.551 8.356 -3.609 1.00 0.00 C ATOM 922 O CYS A 62 -8.763 8.638 -4.788 1.00 0.00 O ATOM 923 CB CYS A 62 -7.719 6.289 -2.391 1.00 0.00 C ATOM 924 SG CYS A 62 -8.002 4.618 -1.788 1.00 0.00 S ATOM 0 H CYS A 62 -8.981 5.309 -4.284 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.675 7.166 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.919 6.259 -3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.363 6.900 -1.562 1.00 0.00 H new ATOM 929 N SER A 63 -7.952 9.223 -2.784 1.00 0.00 N ATOM 930 CA SER A 63 -7.603 10.626 -3.068 1.00 0.00 C ATOM 931 C SER A 63 -6.511 10.867 -4.133 1.00 0.00 C ATOM 932 O SER A 63 -5.736 11.816 -4.013 1.00 0.00 O ATOM 933 CB SER A 63 -7.220 11.309 -1.745 1.00 0.00 C ATOM 934 OG SER A 63 -8.170 11.024 -0.733 1.00 0.00 O ATOM 0 H SER A 63 -7.680 8.949 -1.840 1.00 0.00 H new ATOM 0 HA SER A 63 -8.495 11.062 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.234 10.970 -1.429 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.154 12.387 -1.894 1.00 0.00 H new ATOM 0 HG SER A 63 -7.904 11.468 0.099 1.00 0.00 H new ATOM 940 N GLU A 64 -6.430 10.047 -5.187 1.00 0.00 N ATOM 941 CA GLU A 64 -5.596 10.282 -6.378 1.00 0.00 C ATOM 942 C GLU A 64 -6.155 11.463 -7.207 1.00 0.00 C ATOM 943 O GLU A 64 -6.615 11.300 -8.335 1.00 0.00 O ATOM 944 CB GLU A 64 -5.464 9.005 -7.238 1.00 0.00 C ATOM 945 CG GLU A 64 -4.472 7.953 -6.707 1.00 0.00 C ATOM 946 CD GLU A 64 -4.976 7.064 -5.566 1.00 0.00 C ATOM 947 OE1 GLU A 64 -6.208 6.967 -5.374 1.00 0.00 O ATOM 948 OE2 GLU A 64 -4.102 6.467 -4.901 1.00 0.00 O ATOM 0 H GLU A 64 -6.957 9.175 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.594 10.547 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.447 8.542 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.158 9.294 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.177 7.311 -7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.574 8.469 -6.368 1.00 0.00 H new ATOM 955 N SER A 65 -6.107 12.671 -6.634 1.00 0.00 N ATOM 956 CA SER A 65 -6.715 13.900 -7.157 1.00 0.00 C ATOM 957 C SER A 65 -8.156 13.687 -7.623 1.00 0.00 C ATOM 958 O SER A 65 -9.074 13.671 -6.803 1.00 0.00 O ATOM 959 CB SER A 65 -5.854 14.476 -8.283 1.00 0.00 C ATOM 960 OG SER A 65 -6.408 15.700 -8.714 1.00 0.00 O ATOM 0 H SER A 65 -5.620 12.826 -5.751 1.00 0.00 H new ATOM 0 HA SER A 65 -6.757 14.618 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.833 14.629 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.805 13.773 -9.115 1.00 0.00 H new ATOM 0 HG SER A 65 -5.858 16.073 -9.434 1.00 0.00 H new TER 966 SER A 65