USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 811 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 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 11 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Set 2.1: A 71 HIS : no HE2:sc= 0.865 K(o=2.1,f=-1.2) USER MOD Set 2.2: B 13 SER OG : rot 93:sc= 1.28 USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= 2.37 (180deg=2.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.682 K(o=0.68,f=-4.3!) USER MOD Single : A 16 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.9) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 30:sc= 0.0118 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.00044) USER MOD Single : A 28 THR OG1 : rot -7:sc= 0.0577 USER MOD Single : A 29 SER OG : rot -110:sc= 0.0336 USER MOD Single : A 32 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0.692 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0.137 X(o=0.14,f=-0.082) USER MOD Single : A 48 SER OG : rot 81:sc= 0.02 USER MOD Single : A 53 HIS : no HD1:sc= -0.459 K(o=-0.46,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1) USER MOD Single : A 65 SER OG : rot 173:sc= 1.22 USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000202 USER MOD Single : A 73 GLN : amide:sc=-0.00133 K(o=-0.0013,f=-1.7!) USER MOD Single : A 77 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 80 ASN : amide:sc= 0.696 K(o=0.7,f=-0.082) USER MOD Single : A 81 THR OG1 : rot -82:sc= 0.429 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0.778 K(o=0.78,f=-2.7!) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= 1.19 (180deg=1.16) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -42:sc= 0.537 USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.294 (180deg=0.0419) USER MOD Single : B 4 SER OG : rot -150:sc= 0.0173 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.460 7.546 -18.941 1.00 0.00 N ATOM 2 CA PRO A 1 -12.214 6.840 -17.658 1.00 0.00 C ATOM 3 C PRO A 1 -13.207 7.313 -16.651 1.00 0.00 C ATOM 4 O PRO A 1 -13.732 8.416 -16.795 1.00 0.00 O ATOM 5 CB PRO A 1 -10.769 7.171 -17.292 1.00 0.00 C ATOM 6 CG PRO A 1 -10.090 7.382 -18.655 1.00 0.00 C ATOM 7 CD PRO A 1 -11.173 8.133 -19.445 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.153 8.283 -18.808 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.843 6.898 -19.630 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.337 5.758 -17.713 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -10.707 8.065 -16.671 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -10.302 6.361 -16.732 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -9.173 7.964 -18.567 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.823 6.437 -19.128 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -11.126 9.207 -19.265 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -11.060 7.984 -20.519 1.00 0.00 H new ATOM 17 N LYS A 2 -13.468 6.503 -15.611 1.00 0.00 N ATOM 18 CA LYS A 2 -14.424 6.749 -14.575 1.00 0.00 C ATOM 19 C LYS A 2 -13.921 7.720 -13.563 1.00 0.00 C ATOM 20 O LYS A 2 -12.774 8.139 -13.705 1.00 0.00 O ATOM 21 CB LYS A 2 -14.771 5.378 -13.972 1.00 0.00 C ATOM 22 CG LYS A 2 -13.655 4.709 -13.168 1.00 0.00 C ATOM 23 CD LYS A 2 -13.934 3.219 -12.957 1.00 0.00 C ATOM 24 CE LYS A 2 -13.107 2.541 -11.862 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.658 2.753 -12.078 1.00 0.00 N ATOM 0 H LYS A 2 -12.979 5.617 -15.485 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.321 7.223 -14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.641 5.495 -13.325 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.063 4.709 -14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.705 4.833 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.555 5.202 -12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.990 3.095 -12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.756 2.697 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.394 2.937 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.323 1.473 -11.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.119 2.066 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.435 2.625 -13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.401 3.718 -11.787 1.00 0.00 H new ATOM 39 N PRO A 3 -14.621 8.152 -12.556 1.00 0.00 N ATOM 40 CA PRO A 3 -14.141 9.161 -11.658 1.00 0.00 C ATOM 41 C PRO A 3 -12.928 8.800 -10.872 1.00 0.00 C ATOM 42 O PRO A 3 -12.139 9.684 -10.543 1.00 0.00 O ATOM 43 CB PRO A 3 -15.304 9.428 -10.705 1.00 0.00 C ATOM 44 CG PRO A 3 -16.545 9.155 -11.571 1.00 0.00 C ATOM 45 CD PRO A 3 -16.066 8.002 -12.467 1.00 0.00 C ATOM 0 HA PRO A 3 -13.825 10.023 -12.245 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.269 8.772 -9.835 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.291 10.452 -10.333 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.408 8.871 -10.968 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.836 10.029 -12.153 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.335 7.036 -12.040 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.527 8.054 -13.453 1.00 0.00 H new ATOM 53 N GLY A 4 -12.755 7.509 -10.535 1.00 0.00 N ATOM 54 CA GLY A 4 -11.568 6.992 -9.927 1.00 0.00 C ATOM 55 C GLY A 4 -10.698 6.266 -10.894 1.00 0.00 C ATOM 56 O GLY A 4 -10.790 5.047 -11.033 1.00 0.00 O ATOM 0 H GLY A 4 -13.469 6.798 -10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.005 7.813 -9.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.844 6.319 -9.116 1.00 0.00 H new ATOM 60 N ASP A 5 -9.813 6.976 -11.616 1.00 0.00 N ATOM 61 CA ASP A 5 -8.911 6.428 -12.581 1.00 0.00 C ATOM 62 C ASP A 5 -7.664 5.823 -12.034 1.00 0.00 C ATOM 63 O ASP A 5 -7.339 5.930 -10.852 1.00 0.00 O ATOM 64 CB ASP A 5 -8.628 7.482 -13.664 1.00 0.00 C ATOM 65 CG ASP A 5 -8.174 8.821 -13.100 1.00 0.00 C ATOM 66 OD1 ASP A 5 -9.004 9.540 -12.481 1.00 0.00 O ATOM 67 OD2 ASP A 5 -6.993 9.203 -13.317 1.00 0.00 O ATOM 0 H ASP A 5 -9.722 7.987 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.417 5.568 -13.019 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.861 7.102 -14.339 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.529 7.633 -14.258 1.00 0.00 H new ATOM 72 N ILE A 6 -6.918 5.098 -12.885 1.00 0.00 N ATOM 73 CA ILE A 6 -5.655 4.490 -12.601 1.00 0.00 C ATOM 74 C ILE A 6 -4.563 5.467 -12.872 1.00 0.00 C ATOM 75 O ILE A 6 -4.567 6.132 -13.907 1.00 0.00 O ATOM 76 CB ILE A 6 -5.456 3.221 -13.376 1.00 0.00 C ATOM 77 CG1 ILE A 6 -6.368 2.075 -12.907 1.00 0.00 C ATOM 78 CG2 ILE A 6 -4.008 2.712 -13.288 1.00 0.00 C ATOM 79 CD1 ILE A 6 -7.816 2.104 -13.394 1.00 0.00 C ATOM 0 H ILE A 6 -7.221 4.924 -13.843 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.634 4.214 -11.547 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.708 3.490 -14.402 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.921 1.133 -13.225 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.376 2.072 -11.817 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.910 1.792 -13.864 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.332 3.466 -13.692 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.754 2.517 -12.246 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.352 1.243 -12.994 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.296 3.021 -13.053 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.834 2.068 -14.483 1.00 0.00 H new ATOM 91 N PHE A 7 -3.573 5.588 -11.971 1.00 0.00 N ATOM 92 CA PHE A 7 -2.504 6.532 -12.086 1.00 0.00 C ATOM 93 C PHE A 7 -1.215 6.043 -11.524 1.00 0.00 C ATOM 94 O PHE A 7 -1.123 5.001 -10.876 1.00 0.00 O ATOM 95 CB PHE A 7 -2.897 7.920 -11.550 1.00 0.00 C ATOM 96 CG PHE A 7 -3.001 8.042 -10.068 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.013 7.427 -9.371 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.094 8.816 -9.383 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.109 7.565 -8.006 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.188 8.970 -8.021 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.198 8.342 -7.330 1.00 0.00 C ATOM 0 H PHE A 7 -3.514 5.009 -11.133 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.323 6.646 -13.155 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.164 8.645 -11.904 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.857 8.198 -11.986 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.740 6.829 -9.900 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.298 9.309 -9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.899 7.064 -7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.471 9.582 -7.494 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.275 8.459 -6.259 1.00 0.00 H new ATOM 111 N GLU A 8 -0.126 6.788 -11.792 1.00 0.00 N ATOM 112 CA GLU A 8 1.216 6.432 -11.449 1.00 0.00 C ATOM 113 C GLU A 8 1.899 7.530 -10.710 1.00 0.00 C ATOM 114 O GLU A 8 1.924 8.681 -11.144 1.00 0.00 O ATOM 115 CB GLU A 8 1.984 6.054 -12.726 1.00 0.00 C ATOM 116 CG GLU A 8 2.073 7.140 -13.801 1.00 0.00 C ATOM 117 CD GLU A 8 2.475 6.589 -15.161 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.622 6.094 -15.322 1.00 0.00 O ATOM 119 OE2 GLU A 8 1.646 6.679 -16.106 1.00 0.00 O ATOM 0 H GLU A 8 -0.186 7.685 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 8 1.193 5.571 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.997 5.765 -12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.511 5.175 -13.164 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.108 7.640 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.796 7.894 -13.491 1.00 0.00 H new ATOM 126 N VAL A 9 2.456 7.241 -9.520 1.00 0.00 N ATOM 127 CA VAL A 9 3.275 8.167 -8.800 1.00 0.00 C ATOM 128 C VAL A 9 4.730 7.854 -8.858 1.00 0.00 C ATOM 129 O VAL A 9 5.157 6.701 -8.918 1.00 0.00 O ATOM 130 CB VAL A 9 2.839 8.435 -7.391 1.00 0.00 C ATOM 131 CG1 VAL A 9 1.407 8.996 -7.446 1.00 0.00 C ATOM 132 CG2 VAL A 9 2.917 7.195 -6.485 1.00 0.00 C ATOM 0 H VAL A 9 2.335 6.345 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 9 3.119 9.098 -9.345 1.00 0.00 H new ATOM 0 HB VAL A 9 3.523 9.156 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.058 9.203 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.399 9.918 -8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.748 8.266 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.588 7.458 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.273 6.411 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.945 6.836 -6.448 1.00 0.00 H new ATOM 142 N GLU A 10 5.560 8.913 -8.828 1.00 0.00 N ATOM 143 CA GLU A 10 6.986 8.839 -8.750 1.00 0.00 C ATOM 144 C GLU A 10 7.481 9.743 -7.674 1.00 0.00 C ATOM 145 O GLU A 10 7.544 10.962 -7.823 1.00 0.00 O ATOM 146 CB GLU A 10 7.661 9.197 -10.085 1.00 0.00 C ATOM 147 CG GLU A 10 9.188 9.112 -10.033 1.00 0.00 C ATOM 148 CD GLU A 10 9.823 9.404 -11.385 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.440 8.762 -12.399 1.00 0.00 O ATOM 150 OE2 GLU A 10 10.724 10.282 -11.456 1.00 0.00 O ATOM 0 H GLU A 10 5.216 9.873 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 10 7.248 7.807 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.293 8.527 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.370 10.207 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.565 9.820 -9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.484 8.117 -9.701 1.00 0.00 H new ATOM 157 N LEU A 11 7.871 9.167 -6.523 1.00 0.00 N ATOM 158 CA LEU A 11 8.327 9.877 -5.369 1.00 0.00 C ATOM 159 C LEU A 11 9.688 9.379 -5.024 1.00 0.00 C ATOM 160 O LEU A 11 10.206 8.448 -5.637 1.00 0.00 O ATOM 161 CB LEU A 11 7.340 9.672 -4.206 1.00 0.00 C ATOM 162 CG LEU A 11 7.377 10.694 -3.058 1.00 0.00 C ATOM 163 CD1 LEU A 11 6.571 11.965 -3.373 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.855 10.036 -1.769 1.00 0.00 C ATOM 0 H LEU A 11 7.868 8.156 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 11 8.379 10.947 -5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.331 9.665 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.519 8.684 -3.783 1.00 0.00 H new ATOM 0 HG LEU A 11 8.413 11.004 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.631 12.652 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.981 12.445 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.529 11.700 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.881 10.760 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.830 9.699 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.484 9.182 -1.516 1.00 0.00 H new ATOM 176 N ALA A 12 10.364 9.978 -4.028 1.00 0.00 N ATOM 177 CA ALA A 12 11.535 9.424 -3.422 1.00 0.00 C ATOM 178 C ALA A 12 11.449 9.769 -1.976 1.00 0.00 C ATOM 179 O ALA A 12 10.666 10.635 -1.590 1.00 0.00 O ATOM 180 CB ALA A 12 12.823 9.981 -4.052 1.00 0.00 C ATOM 0 H ALA A 12 10.087 10.876 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 12 11.578 8.345 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.689 9.535 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.842 9.740 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.852 11.063 -3.925 1.00 0.00 H new ATOM 186 N LYS A 13 12.235 9.094 -1.117 1.00 0.00 N ATOM 187 CA LYS A 13 12.200 9.282 0.300 1.00 0.00 C ATOM 188 C LYS A 13 12.575 10.660 0.729 1.00 0.00 C ATOM 189 O LYS A 13 13.661 11.156 0.431 1.00 0.00 O ATOM 190 CB LYS A 13 13.092 8.251 1.012 1.00 0.00 C ATOM 191 CG LYS A 13 13.072 8.317 2.539 1.00 0.00 C ATOM 192 CD LYS A 13 13.749 7.118 3.207 1.00 0.00 C ATOM 193 CE LYS A 13 12.931 5.828 3.122 1.00 0.00 C ATOM 194 NZ LYS A 13 13.690 4.677 3.658 1.00 0.00 N ATOM 0 H LYS A 13 12.915 8.396 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 13 11.160 9.133 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.783 7.252 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.119 8.386 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.568 9.232 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.038 8.378 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.721 6.954 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.934 7.353 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.002 5.946 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.658 5.635 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.111 3.816 3.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.564 4.552 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.929 4.853 4.655 1.00 0.00 H new ATOM 208 N ASN A 14 11.650 11.344 1.424 1.00 0.00 N ATOM 209 CA ASN A 14 11.829 12.669 1.928 1.00 0.00 C ATOM 210 C ASN A 14 11.736 12.647 3.415 1.00 0.00 C ATOM 211 O ASN A 14 12.747 12.452 4.088 1.00 0.00 O ATOM 212 CB ASN A 14 10.902 13.674 1.223 1.00 0.00 C ATOM 213 CG ASN A 14 9.449 13.239 1.107 1.00 0.00 C ATOM 214 OD1 ASN A 14 8.643 13.506 1.997 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.079 12.555 -0.009 1.00 0.00 N ATOM 0 H ASN A 14 10.734 10.954 1.645 1.00 0.00 H new ATOM 0 HA ASN A 14 12.828 13.034 1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.940 14.620 1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.290 13.862 0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.112 12.250 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.768 12.347 -0.732 1.00 0.00 H new ATOM 222 N ASP A 15 10.531 12.802 3.992 1.00 0.00 N ATOM 223 CA ASP A 15 10.258 12.705 5.393 1.00 0.00 C ATOM 224 C ASP A 15 10.361 11.294 5.860 1.00 0.00 C ATOM 225 O ASP A 15 11.058 10.972 6.821 1.00 0.00 O ATOM 226 CB ASP A 15 8.857 13.298 5.620 1.00 0.00 C ATOM 227 CG ASP A 15 8.603 13.657 7.078 1.00 0.00 C ATOM 228 OD1 ASP A 15 8.225 12.757 7.874 1.00 0.00 O ATOM 229 OD2 ASP A 15 8.795 14.851 7.432 1.00 0.00 O ATOM 0 H ASP A 15 9.695 13.008 3.445 1.00 0.00 H new ATOM 0 HA ASP A 15 10.991 13.261 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.740 14.190 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.105 12.581 5.290 1.00 0.00 H new ATOM 234 N ASN A 16 9.688 10.382 5.135 1.00 0.00 N ATOM 235 CA ASN A 16 9.805 8.961 5.238 1.00 0.00 C ATOM 236 C ASN A 16 9.466 8.492 3.865 1.00 0.00 C ATOM 237 O ASN A 16 9.504 9.294 2.933 1.00 0.00 O ATOM 238 CB ASN A 16 8.883 8.418 6.343 1.00 0.00 C ATOM 239 CG ASN A 16 9.282 7.034 6.832 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.234 6.408 6.369 1.00 0.00 O ATOM 241 ND2 ASN A 16 8.511 6.509 7.821 1.00 0.00 N ATOM 0 H ASN A 16 9.012 10.661 4.424 1.00 0.00 H new ATOM 0 HA ASN A 16 10.792 8.607 5.537 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.890 9.110 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.860 8.383 5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.718 5.581 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.725 7.043 8.193 1.00 0.00 H new ATOM 248 N SER A 17 9.133 7.208 3.645 1.00 0.00 N ATOM 249 CA SER A 17 8.696 6.746 2.363 1.00 0.00 C ATOM 250 C SER A 17 7.234 6.985 2.206 1.00 0.00 C ATOM 251 O SER A 17 6.804 7.735 1.332 1.00 0.00 O ATOM 252 CB SER A 17 9.006 5.263 2.093 1.00 0.00 C ATOM 253 OG SER A 17 8.849 4.932 0.721 1.00 0.00 O ATOM 0 H SER A 17 9.167 6.483 4.362 1.00 0.00 H new ATOM 0 HA SER A 17 9.262 7.319 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.027 5.042 2.405 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.346 4.638 2.695 1.00 0.00 H new ATOM 0 HG SER A 17 9.056 3.983 0.588 1.00 0.00 H new ATOM 259 N LEU A 18 6.391 6.377 3.059 1.00 0.00 N ATOM 260 CA LEU A 18 4.986 6.643 3.094 1.00 0.00 C ATOM 261 C LEU A 18 4.615 7.498 4.258 1.00 0.00 C ATOM 262 O LEU A 18 4.631 8.726 4.179 1.00 0.00 O ATOM 263 CB LEU A 18 4.136 5.364 3.020 1.00 0.00 C ATOM 264 CG LEU A 18 4.061 4.739 1.617 1.00 0.00 C ATOM 265 CD1 LEU A 18 5.254 3.835 1.266 1.00 0.00 C ATOM 266 CD2 LEU A 18 2.756 3.934 1.489 1.00 0.00 C ATOM 0 H LEU A 18 6.693 5.683 3.742 1.00 0.00 H new ATOM 0 HA LEU A 18 4.756 7.209 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.545 4.628 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.125 5.592 3.359 1.00 0.00 H new ATOM 0 HG LEU A 18 4.089 5.568 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.124 3.434 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.175 4.416 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.310 3.013 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.699 3.489 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.740 3.145 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.904 4.596 1.639 1.00 0.00 H new ATOM 278 N GLY A 19 4.222 6.876 5.383 1.00 0.00 N ATOM 279 CA GLY A 19 3.628 7.526 6.510 1.00 0.00 C ATOM 280 C GLY A 19 2.148 7.358 6.492 1.00 0.00 C ATOM 281 O GLY A 19 1.397 8.328 6.585 1.00 0.00 O ATOM 0 H GLY A 19 4.323 5.869 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.035 7.111 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.879 8.587 6.499 1.00 0.00 H new ATOM 285 N ILE A 20 1.665 6.110 6.358 1.00 0.00 N ATOM 286 CA ILE A 20 0.266 5.846 6.218 1.00 0.00 C ATOM 287 C ILE A 20 -0.080 4.513 6.786 1.00 0.00 C ATOM 288 O ILE A 20 0.785 3.670 7.023 1.00 0.00 O ATOM 289 CB ILE A 20 -0.165 6.008 4.791 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.649 6.392 4.665 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.201 4.787 3.931 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.944 7.095 3.340 1.00 0.00 C ATOM 0 H ILE A 20 2.251 5.275 6.347 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.294 6.582 6.795 1.00 0.00 H new ATOM 0 HB ILE A 20 0.401 6.849 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.264 5.496 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.927 7.045 5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.131 4.951 2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.281 4.644 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.287 3.899 4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.003 7.349 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.349 8.005 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.691 6.432 2.512 1.00 0.00 H new ATOM 304 N SER A 21 -1.374 4.251 7.042 1.00 0.00 N ATOM 305 CA SER A 21 -1.834 3.074 7.712 1.00 0.00 C ATOM 306 C SER A 21 -2.789 2.330 6.844 1.00 0.00 C ATOM 307 O SER A 21 -3.503 2.907 6.025 1.00 0.00 O ATOM 308 CB SER A 21 -2.486 3.465 9.049 1.00 0.00 C ATOM 309 OG SER A 21 -2.824 2.343 9.852 1.00 0.00 O ATOM 0 H SER A 21 -2.128 4.882 6.772 1.00 0.00 H new ATOM 0 HA SER A 21 -0.989 2.417 7.919 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.805 4.110 9.604 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.386 4.047 8.851 1.00 0.00 H new ATOM 0 HG SER A 21 -2.198 1.611 9.671 1.00 0.00 H new ATOM 315 N VAL A 22 -2.803 0.990 6.969 1.00 0.00 N ATOM 316 CA VAL A 22 -3.420 0.067 6.067 1.00 0.00 C ATOM 317 C VAL A 22 -4.353 -0.819 6.818 1.00 0.00 C ATOM 318 O VAL A 22 -4.222 -0.984 8.030 1.00 0.00 O ATOM 319 CB VAL A 22 -2.339 -0.675 5.339 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.604 -2.159 5.037 1.00 0.00 C ATOM 321 CG2 VAL A 22 -2.060 0.083 4.030 1.00 0.00 C ATOM 0 H VAL A 22 -2.352 0.521 7.754 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.026 0.579 5.319 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.484 -0.702 6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.749 -2.581 4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.756 -2.699 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.495 -2.250 4.416 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.276 -0.430 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.969 0.118 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.737 1.098 4.259 1.00 0.00 H new ATOM 331 N THR A 23 -5.354 -1.408 6.139 1.00 0.00 N ATOM 332 CA THR A 23 -6.215 -2.391 6.720 1.00 0.00 C ATOM 333 C THR A 23 -6.459 -3.484 5.736 1.00 0.00 C ATOM 334 O THR A 23 -6.399 -3.284 4.524 1.00 0.00 O ATOM 335 CB THR A 23 -7.500 -1.813 7.235 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.263 -2.752 7.978 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.371 -1.250 6.100 1.00 0.00 C ATOM 0 H THR A 23 -5.570 -1.196 5.165 1.00 0.00 H new ATOM 0 HA THR A 23 -5.709 -2.801 7.594 1.00 0.00 H new ATOM 0 HB THR A 23 -7.205 -1.002 7.901 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.088 -2.327 8.293 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.292 -0.841 6.516 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.826 -0.462 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.613 -2.047 5.397 1.00 0.00 H new ATOM 345 N GLY A 24 -6.708 -4.710 6.233 1.00 0.00 N ATOM 346 CA GLY A 24 -7.016 -5.874 5.463 1.00 0.00 C ATOM 347 C GLY A 24 -5.909 -6.404 4.617 1.00 0.00 C ATOM 348 O GLY A 24 -4.732 -6.293 4.958 1.00 0.00 O ATOM 0 H GLY A 24 -6.693 -4.898 7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.337 -6.662 6.144 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.864 -5.646 4.817 1.00 0.00 H new ATOM 352 N GLY A 25 -6.274 -7.027 3.483 1.00 0.00 N ATOM 353 CA GLY A 25 -5.368 -7.427 2.453 1.00 0.00 C ATOM 354 C GLY A 25 -4.663 -8.726 2.649 1.00 0.00 C ATOM 355 O GLY A 25 -3.493 -8.872 2.299 1.00 0.00 O ATOM 0 H GLY A 25 -7.244 -7.262 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.920 -7.478 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.617 -6.646 2.339 1.00 0.00 H new ATOM 359 N VAL A 26 -5.365 -9.716 3.228 1.00 0.00 N ATOM 360 CA VAL A 26 -4.766 -10.914 3.728 1.00 0.00 C ATOM 361 C VAL A 26 -4.652 -11.997 2.711 1.00 0.00 C ATOM 362 O VAL A 26 -3.818 -11.927 1.809 1.00 0.00 O ATOM 363 CB VAL A 26 -5.397 -11.378 5.008 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.382 -12.241 5.777 1.00 0.00 C ATOM 365 CG2 VAL A 26 -5.771 -10.167 5.879 1.00 0.00 C ATOM 0 H VAL A 26 -6.377 -9.682 3.352 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.737 -10.647 3.970 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.295 -11.952 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.829 -12.584 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.103 -13.102 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.494 -11.649 5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.228 -10.513 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.873 -9.593 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.477 -9.535 5.340 1.00 0.00 H new ATOM 375 N ASN A 27 -5.447 -13.078 2.804 1.00 0.00 N ATOM 376 CA ASN A 27 -5.288 -14.273 2.034 1.00 0.00 C ATOM 377 C ASN A 27 -6.064 -14.193 0.764 1.00 0.00 C ATOM 378 O ASN A 27 -5.531 -14.392 -0.326 1.00 0.00 O ATOM 379 CB ASN A 27 -5.710 -15.499 2.859 1.00 0.00 C ATOM 380 CG ASN A 27 -4.740 -15.709 4.013 1.00 0.00 C ATOM 381 OD1 ASN A 27 -3.602 -16.124 3.802 1.00 0.00 O ATOM 382 ND2 ASN A 27 -5.178 -15.431 5.270 1.00 0.00 N ATOM 0 H ASN A 27 -6.238 -13.121 3.446 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.235 -14.379 1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.720 -15.359 3.243 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.730 -16.385 2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.557 -15.566 6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.128 -15.088 5.415 1.00 0.00 H new ATOM 389 N THR A 28 -7.368 -13.875 0.852 1.00 0.00 N ATOM 390 CA THR A 28 -8.135 -13.392 -0.255 1.00 0.00 C ATOM 391 C THR A 28 -8.945 -12.287 0.329 1.00 0.00 C ATOM 392 O THR A 28 -9.416 -12.389 1.461 1.00 0.00 O ATOM 393 CB THR A 28 -8.938 -14.436 -0.973 1.00 0.00 C ATOM 394 OG1 THR A 28 -9.299 -14.032 -2.286 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.209 -14.884 -0.232 1.00 0.00 C ATOM 0 H THR A 28 -7.904 -13.956 1.716 1.00 0.00 H new ATOM 0 HA THR A 28 -7.494 -13.048 -1.066 1.00 0.00 H new ATOM 0 HB THR A 28 -8.262 -15.290 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.045 -13.095 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.727 -15.639 -0.823 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.937 -15.304 0.736 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.865 -14.026 -0.084 1.00 0.00 H new ATOM 403 N SER A 29 -9.051 -11.127 -0.344 1.00 0.00 N ATOM 404 CA SER A 29 -9.518 -9.951 0.323 1.00 0.00 C ATOM 405 C SER A 29 -10.102 -8.996 -0.660 1.00 0.00 C ATOM 406 O SER A 29 -11.311 -8.977 -0.886 1.00 0.00 O ATOM 407 CB SER A 29 -8.403 -9.294 1.153 1.00 0.00 C ATOM 408 OG SER A 29 -8.877 -8.245 1.986 1.00 0.00 O ATOM 0 H SER A 29 -8.819 -11.003 -1.329 1.00 0.00 H new ATOM 0 HA SER A 29 -10.303 -10.244 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.922 -10.052 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.641 -8.901 0.481 1.00 0.00 H new ATOM 0 HG SER A 29 -8.552 -7.385 1.646 1.00 0.00 H new ATOM 414 N VAL A 30 -9.256 -8.170 -1.301 1.00 0.00 N ATOM 415 CA VAL A 30 -9.636 -7.222 -2.300 1.00 0.00 C ATOM 416 C VAL A 30 -9.712 -7.954 -3.596 1.00 0.00 C ATOM 417 O VAL A 30 -10.766 -8.053 -4.222 1.00 0.00 O ATOM 418 CB VAL A 30 -8.655 -6.089 -2.370 1.00 0.00 C ATOM 419 CG1 VAL A 30 -9.161 -4.977 -3.303 1.00 0.00 C ATOM 420 CG2 VAL A 30 -8.449 -5.515 -0.958 1.00 0.00 C ATOM 0 H VAL A 30 -8.254 -8.164 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.602 -6.778 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.713 -6.468 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.431 -4.169 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.301 -5.379 -4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.111 -4.593 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.737 -4.691 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.401 -5.152 -0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.063 -6.294 -0.301 1.00 0.00 H new ATOM 430 N ARG A 31 -8.580 -8.566 -3.990 1.00 0.00 N ATOM 431 CA ARG A 31 -8.501 -9.610 -4.963 1.00 0.00 C ATOM 432 C ARG A 31 -7.986 -10.808 -4.242 1.00 0.00 C ATOM 433 O ARG A 31 -8.345 -11.058 -3.092 1.00 0.00 O ATOM 434 CB ARG A 31 -7.667 -9.165 -6.177 1.00 0.00 C ATOM 435 CG ARG A 31 -6.275 -8.613 -5.865 1.00 0.00 C ATOM 436 CD ARG A 31 -5.489 -8.169 -7.100 1.00 0.00 C ATOM 437 NE ARG A 31 -6.060 -6.868 -7.548 1.00 0.00 N ATOM 438 CZ ARG A 31 -5.835 -6.306 -8.772 1.00 0.00 C ATOM 439 NH1 ARG A 31 -5.045 -6.885 -9.723 1.00 0.00 N ATOM 440 NH2 ARG A 31 -6.411 -5.100 -9.052 1.00 0.00 N ATOM 0 H ARG A 31 -7.668 -8.317 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.468 -9.861 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.557 -10.016 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.227 -8.402 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.375 -7.765 -5.187 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.703 -9.376 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.430 -8.062 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.565 -8.914 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.660 -6.363 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.591 -7.779 -9.534 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.909 -6.424 -10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.994 -4.639 -8.354 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.258 -4.660 -9.959 1.00 0.00 H new ATOM 454 N HIS A 32 -7.065 -11.583 -4.842 1.00 0.00 N ATOM 455 CA HIS A 32 -6.251 -12.564 -4.196 1.00 0.00 C ATOM 456 C HIS A 32 -5.152 -11.914 -3.428 1.00 0.00 C ATOM 457 O HIS A 32 -3.966 -12.007 -3.743 1.00 0.00 O ATOM 458 CB HIS A 32 -5.699 -13.571 -5.219 1.00 0.00 C ATOM 459 CG HIS A 32 -5.355 -13.046 -6.582 1.00 0.00 C ATOM 460 ND1 HIS A 32 -4.909 -11.757 -6.788 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.369 -13.725 -7.760 1.00 0.00 C ATOM 462 CE1 HIS A 32 -4.639 -11.678 -8.077 1.00 0.00 C ATOM 463 NE2 HIS A 32 -4.906 -12.848 -8.719 1.00 0.00 N ATOM 0 H HIS A 32 -6.878 -11.519 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.871 -13.114 -3.488 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.803 -14.025 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.434 -14.367 -5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.681 -14.748 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.254 -10.794 -8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -4.787 -13.039 -9.714 1.00 0.00 H new ATOM 471 N GLY A 33 -5.536 -11.170 -2.375 1.00 0.00 N ATOM 472 CA GLY A 33 -4.693 -10.271 -1.650 1.00 0.00 C ATOM 473 C GLY A 33 -5.112 -8.883 -1.993 1.00 0.00 C ATOM 474 O GLY A 33 -6.289 -8.627 -2.247 1.00 0.00 O ATOM 0 H GLY A 33 -6.488 -11.198 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.782 -10.444 -0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.647 -10.431 -1.913 1.00 0.00 H new ATOM 478 N GLY A 34 -4.160 -7.933 -2.020 1.00 0.00 N ATOM 479 CA GLY A 34 -4.398 -6.577 -2.405 1.00 0.00 C ATOM 480 C GLY A 34 -4.736 -5.731 -1.226 1.00 0.00 C ATOM 481 O GLY A 34 -5.389 -6.184 -0.287 1.00 0.00 O ATOM 0 H GLY A 34 -3.190 -8.116 -1.764 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.514 -6.177 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.213 -6.540 -3.128 1.00 0.00 H new ATOM 485 N ILE A 35 -4.317 -4.453 -1.212 1.00 0.00 N ATOM 486 CA ILE A 35 -4.228 -3.702 0.002 1.00 0.00 C ATOM 487 C ILE A 35 -5.051 -2.467 -0.131 1.00 0.00 C ATOM 488 O ILE A 35 -5.175 -1.896 -1.212 1.00 0.00 O ATOM 489 CB ILE A 35 -2.804 -3.329 0.287 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.822 -4.512 0.227 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.676 -2.641 1.656 1.00 0.00 C ATOM 492 CD1 ILE A 35 -2.083 -5.635 1.230 1.00 0.00 C ATOM 0 H ILE A 35 -4.038 -3.937 -2.047 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.598 -4.311 0.827 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.528 -2.640 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.848 -4.933 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.813 -4.132 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.633 -2.381 1.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.282 -1.735 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.022 -3.318 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.335 -6.418 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.025 -5.238 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.076 -6.051 1.060 1.00 0.00 H new ATOM 504 N TYR A 36 -5.679 -2.009 0.968 1.00 0.00 N ATOM 505 CA TYR A 36 -6.504 -0.841 1.018 1.00 0.00 C ATOM 506 C TYR A 36 -6.025 0.078 2.088 1.00 0.00 C ATOM 507 O TYR A 36 -5.580 -0.345 3.154 1.00 0.00 O ATOM 508 CB TYR A 36 -7.978 -1.222 1.234 1.00 0.00 C ATOM 509 CG TYR A 36 -8.773 -0.885 0.020 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.679 -1.670 -1.105 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.577 0.230 -0.004 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.389 -1.354 -2.239 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.279 0.561 -1.139 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.181 -0.230 -2.259 1.00 0.00 C ATOM 515 OH TYR A 36 -10.910 0.094 -3.424 1.00 0.00 O ATOM 0 H TYR A 36 -5.607 -2.480 1.870 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.434 -0.322 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.059 -2.288 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.377 -0.692 2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.042 -2.542 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.658 0.851 0.876 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.325 -1.987 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.906 1.440 -1.151 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.420 0.917 -3.273 1.00 0.00 H new ATOM 525 N VAL A 37 -6.057 1.398 1.831 1.00 0.00 N ATOM 526 CA VAL A 37 -5.596 2.388 2.755 1.00 0.00 C ATOM 527 C VAL A 37 -6.623 2.758 3.768 1.00 0.00 C ATOM 528 O VAL A 37 -7.800 2.954 3.466 1.00 0.00 O ATOM 529 CB VAL A 37 -5.044 3.630 2.121 1.00 0.00 C ATOM 530 CG1 VAL A 37 -3.587 3.831 2.573 1.00 0.00 C ATOM 531 CG2 VAL A 37 -5.079 3.586 0.585 1.00 0.00 C ATOM 0 H VAL A 37 -6.413 1.787 0.958 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.765 1.892 3.256 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.677 4.457 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.185 4.733 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.553 3.931 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.990 2.971 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.667 4.512 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.486 2.742 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.109 3.472 0.248 1.00 0.00 H new ATOM 541 N LYS A 38 -6.199 2.870 5.040 1.00 0.00 N ATOM 542 CA LYS A 38 -7.044 3.096 6.170 1.00 0.00 C ATOM 543 C LYS A 38 -7.098 4.536 6.549 1.00 0.00 C ATOM 544 O LYS A 38 -8.140 5.181 6.451 1.00 0.00 O ATOM 545 CB LYS A 38 -6.533 2.257 7.355 1.00 0.00 C ATOM 546 CG LYS A 38 -7.403 2.275 8.612 1.00 0.00 C ATOM 547 CD LYS A 38 -6.702 1.550 9.763 1.00 0.00 C ATOM 548 CE LYS A 38 -7.572 1.284 10.993 1.00 0.00 C ATOM 549 NZ LYS A 38 -8.027 2.543 11.626 1.00 0.00 N ATOM 0 H LYS A 38 -5.213 2.799 5.292 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.057 2.795 5.903 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.428 1.224 7.025 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.537 2.609 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.615 3.305 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.361 1.798 8.405 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.323 0.597 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.838 2.140 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.438 0.689 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.008 0.696 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.614 2.322 12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.201 3.100 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.586 3.093 10.943 1.00 0.00 H new ATOM 563 N ALA A 39 -5.972 5.100 7.021 1.00 0.00 N ATOM 564 CA ALA A 39 -5.942 6.429 7.550 1.00 0.00 C ATOM 565 C ALA A 39 -4.571 7.003 7.439 1.00 0.00 C ATOM 566 O ALA A 39 -3.580 6.291 7.287 1.00 0.00 O ATOM 567 CB ALA A 39 -6.397 6.445 9.018 1.00 0.00 C ATOM 0 H ALA A 39 -5.069 4.627 7.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.631 7.039 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.366 7.466 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.416 6.063 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.733 5.817 9.612 1.00 0.00 H new ATOM 573 N VAL A 40 -4.484 8.344 7.486 1.00 0.00 N ATOM 574 CA VAL A 40 -3.293 9.110 7.286 1.00 0.00 C ATOM 575 C VAL A 40 -2.650 9.437 8.589 1.00 0.00 C ATOM 576 O VAL A 40 -3.294 9.892 9.532 1.00 0.00 O ATOM 577 CB VAL A 40 -3.590 10.360 6.511 1.00 0.00 C ATOM 578 CG1 VAL A 40 -2.313 11.164 6.215 1.00 0.00 C ATOM 579 CG2 VAL A 40 -4.267 9.993 5.179 1.00 0.00 C ATOM 0 H VAL A 40 -5.297 8.930 7.676 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.595 8.507 6.705 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.251 10.977 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.570 12.061 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.836 11.448 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.626 10.553 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.482 10.902 4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.602 9.355 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.197 9.461 5.378 1.00 0.00 H new ATOM 589 N ILE A 41 -1.328 9.212 8.700 1.00 0.00 N ATOM 590 CA ILE A 41 -0.519 9.640 9.799 1.00 0.00 C ATOM 591 C ILE A 41 -0.117 11.054 9.555 1.00 0.00 C ATOM 592 O ILE A 41 0.481 11.301 8.509 1.00 0.00 O ATOM 593 CB ILE A 41 0.673 8.746 9.973 1.00 0.00 C ATOM 594 CG1 ILE A 41 0.269 7.276 10.180 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.569 9.231 11.124 1.00 0.00 C ATOM 596 CD1 ILE A 41 -0.582 6.998 11.417 1.00 0.00 C ATOM 0 H ILE A 41 -0.798 8.707 7.989 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.086 9.579 10.728 1.00 0.00 H new ATOM 0 HB ILE A 41 1.245 8.799 9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.279 6.940 9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.175 6.673 10.240 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.424 8.563 11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.920 10.241 10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.999 9.234 12.053 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.811 5.934 11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.033 7.295 12.311 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.510 7.567 11.355 1.00 0.00 H new ATOM 608 N PRO A 42 -0.369 12.043 10.361 1.00 0.00 N ATOM 609 CA PRO A 42 -0.126 13.416 10.028 1.00 0.00 C ATOM 610 C PRO A 42 1.287 13.831 10.253 1.00 0.00 C ATOM 611 O PRO A 42 1.554 14.939 10.716 1.00 0.00 O ATOM 612 CB PRO A 42 -1.089 14.166 10.946 1.00 0.00 C ATOM 613 CG PRO A 42 -1.102 13.321 12.230 1.00 0.00 C ATOM 614 CD PRO A 42 -1.006 11.898 11.661 1.00 0.00 C ATOM 0 HA PRO A 42 -0.286 13.618 8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.748 15.183 11.139 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.084 14.242 10.507 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.264 13.558 12.886 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.013 13.470 12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.421 11.252 12.315 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.993 11.445 11.566 1.00 0.00 H new ATOM 622 N GLN A 43 2.257 12.967 9.901 1.00 0.00 N ATOM 623 CA GLN A 43 3.662 13.223 9.972 1.00 0.00 C ATOM 624 C GLN A 43 4.302 12.228 9.065 1.00 0.00 C ATOM 625 O GLN A 43 4.818 11.189 9.472 1.00 0.00 O ATOM 626 CB GLN A 43 4.202 13.096 11.407 1.00 0.00 C ATOM 627 CG GLN A 43 5.711 13.290 11.572 1.00 0.00 C ATOM 628 CD GLN A 43 6.193 14.632 11.041 1.00 0.00 C ATOM 629 OE1 GLN A 43 5.922 15.685 11.618 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.932 14.623 9.901 1.00 0.00 N ATOM 0 H GLN A 43 2.046 12.034 9.546 1.00 0.00 H new ATOM 0 HA GLN A 43 3.885 14.246 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.690 13.827 12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.938 12.109 11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.970 13.207 12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.235 12.489 11.051 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.145 13.739 9.438 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.273 15.500 9.508 1.00 0.00 H new ATOM 639 N GLY A 44 4.243 12.489 7.748 1.00 0.00 N ATOM 640 CA GLY A 44 4.819 11.601 6.785 1.00 0.00 C ATOM 641 C GLY A 44 4.716 12.228 5.437 1.00 0.00 C ATOM 642 O GLY A 44 4.002 13.213 5.252 1.00 0.00 O ATOM 0 H GLY A 44 3.797 13.315 7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.862 11.402 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.300 10.642 6.797 1.00 0.00 H new ATOM 646 N ALA A 45 5.382 11.629 4.434 1.00 0.00 N ATOM 647 CA ALA A 45 5.398 12.086 3.079 1.00 0.00 C ATOM 648 C ALA A 45 4.045 12.113 2.456 1.00 0.00 C ATOM 649 O ALA A 45 3.718 13.013 1.685 1.00 0.00 O ATOM 650 CB ALA A 45 6.345 11.183 2.269 1.00 0.00 C ATOM 0 H ALA A 45 5.936 10.785 4.575 1.00 0.00 H new ATOM 0 HA ALA A 45 5.751 13.117 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.369 11.518 1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.349 11.237 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.989 10.153 2.309 1.00 0.00 H new ATOM 656 N ALA A 46 3.174 11.155 2.821 1.00 0.00 N ATOM 657 CA ALA A 46 1.806 11.069 2.416 1.00 0.00 C ATOM 658 C ALA A 46 0.983 12.286 2.668 1.00 0.00 C ATOM 659 O ALA A 46 0.214 12.707 1.805 1.00 0.00 O ATOM 660 CB ALA A 46 1.166 9.862 3.121 1.00 0.00 C ATOM 0 H ALA A 46 3.445 10.391 3.440 1.00 0.00 H new ATOM 0 HA ALA A 46 1.819 10.960 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.120 9.780 2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.696 8.952 2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.227 9.997 4.201 1.00 0.00 H new ATOM 666 N GLU A 47 1.130 12.912 3.849 1.00 0.00 N ATOM 667 CA GLU A 47 0.430 14.096 4.239 1.00 0.00 C ATOM 668 C GLU A 47 1.173 15.346 3.912 1.00 0.00 C ATOM 669 O GLU A 47 0.576 16.349 3.525 1.00 0.00 O ATOM 670 CB GLU A 47 0.099 14.067 5.742 1.00 0.00 C ATOM 671 CG GLU A 47 -0.833 15.169 6.249 1.00 0.00 C ATOM 672 CD GLU A 47 -2.297 15.055 5.849 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.613 14.850 4.647 1.00 0.00 O ATOM 674 OE2 GLU A 47 -3.165 15.232 6.745 1.00 0.00 O ATOM 0 H GLU A 47 1.770 12.575 4.568 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.494 14.106 3.660 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.352 13.102 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.034 14.125 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.777 15.190 7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.455 16.127 5.892 1.00 0.00 H new ATOM 681 N SER A 48 2.510 15.364 4.050 1.00 0.00 N ATOM 682 CA SER A 48 3.331 16.512 3.822 1.00 0.00 C ATOM 683 C SER A 48 3.403 16.949 2.399 1.00 0.00 C ATOM 684 O SER A 48 3.417 18.146 2.116 1.00 0.00 O ATOM 685 CB SER A 48 4.750 16.366 4.396 1.00 0.00 C ATOM 686 OG SER A 48 4.665 16.265 5.810 1.00 0.00 O ATOM 0 H SER A 48 3.043 14.542 4.333 1.00 0.00 H new ATOM 0 HA SER A 48 2.814 17.299 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.235 15.481 3.983 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.361 17.224 4.115 1.00 0.00 H new ATOM 0 HG SER A 48 4.429 15.347 6.059 1.00 0.00 H new ATOM 692 N ASP A 49 3.392 16.003 1.444 1.00 0.00 N ATOM 693 CA ASP A 49 3.191 16.282 0.056 1.00 0.00 C ATOM 694 C ASP A 49 1.742 16.510 -0.208 1.00 0.00 C ATOM 695 O ASP A 49 1.315 17.585 -0.626 1.00 0.00 O ATOM 696 CB ASP A 49 3.748 15.098 -0.753 1.00 0.00 C ATOM 697 CG ASP A 49 3.944 15.456 -2.220 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.011 16.037 -2.552 1.00 0.00 O ATOM 699 OD2 ASP A 49 3.037 15.183 -3.051 1.00 0.00 O ATOM 0 H ASP A 49 3.527 15.012 1.644 1.00 0.00 H new ATOM 0 HA ASP A 49 3.716 17.189 -0.243 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.700 14.782 -0.326 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.066 14.251 -0.674 1.00 0.00 H new ATOM 704 N GLY A 50 0.916 15.488 0.078 1.00 0.00 N ATOM 705 CA GLY A 50 -0.487 15.464 -0.202 1.00 0.00 C ATOM 706 C GLY A 50 -0.741 14.494 -1.303 1.00 0.00 C ATOM 707 O GLY A 50 -1.116 14.857 -2.417 1.00 0.00 O ATOM 0 H GLY A 50 1.244 14.634 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.045 15.177 0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.832 16.458 -0.488 1.00 0.00 H new ATOM 711 N ARG A 51 -0.549 13.196 -1.007 1.00 0.00 N ATOM 712 CA ARG A 51 -0.247 12.234 -2.022 1.00 0.00 C ATOM 713 C ARG A 51 -1.013 10.968 -1.846 1.00 0.00 C ATOM 714 O ARG A 51 -1.522 10.409 -2.816 1.00 0.00 O ATOM 715 CB ARG A 51 1.255 11.904 -1.963 1.00 0.00 C ATOM 716 CG ARG A 51 1.817 10.914 -2.985 1.00 0.00 C ATOM 717 CD ARG A 51 1.947 11.451 -4.412 1.00 0.00 C ATOM 718 NE ARG A 51 0.592 11.441 -5.030 1.00 0.00 N ATOM 719 CZ ARG A 51 0.082 12.457 -5.786 1.00 0.00 C ATOM 720 NH1 ARG A 51 0.820 13.562 -6.101 1.00 0.00 N ATOM 721 NH2 ARG A 51 -1.206 12.387 -6.232 1.00 0.00 N ATOM 0 H ARG A 51 -0.603 12.812 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.525 12.668 -2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.806 12.839 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.472 11.515 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.800 10.587 -2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.176 10.033 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.355 12.462 -4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.635 10.834 -4.991 1.00 0.00 H new ATOM 0 HE ARG A 51 0.006 10.620 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.781 13.645 -5.769 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.410 14.304 -6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.783 11.578 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.592 13.143 -6.797 1.00 0.00 H new ATOM 735 N ILE A 52 -1.145 10.451 -0.612 1.00 0.00 N ATOM 736 CA ILE A 52 -1.777 9.187 -0.392 1.00 0.00 C ATOM 737 C ILE A 52 -2.818 9.431 0.646 1.00 0.00 C ATOM 738 O ILE A 52 -2.509 9.905 1.738 1.00 0.00 O ATOM 739 CB ILE A 52 -0.852 8.100 0.075 1.00 0.00 C ATOM 740 CG1 ILE A 52 0.536 8.157 -0.585 1.00 0.00 C ATOM 741 CG2 ILE A 52 -1.541 6.753 -0.200 1.00 0.00 C ATOM 742 CD1 ILE A 52 1.528 7.173 0.033 1.00 0.00 C ATOM 0 H ILE A 52 -0.813 10.910 0.236 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.176 8.827 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.665 8.233 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.436 7.944 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.933 9.168 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.894 5.940 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.484 6.709 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.734 6.654 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.489 7.259 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.654 7.400 1.092 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.149 6.157 -0.077 1.00 0.00 H new ATOM 754 N HIS A 53 -4.098 9.155 0.339 1.00 0.00 N ATOM 755 CA HIS A 53 -5.192 9.399 1.227 1.00 0.00 C ATOM 756 C HIS A 53 -5.884 8.130 1.586 1.00 0.00 C ATOM 757 O HIS A 53 -5.495 7.033 1.187 1.00 0.00 O ATOM 758 CB HIS A 53 -6.176 10.424 0.638 1.00 0.00 C ATOM 759 CG HIS A 53 -6.868 10.037 -0.636 1.00 0.00 C ATOM 760 ND1 HIS A 53 -7.523 11.012 -1.360 1.00 0.00 N ATOM 761 CD2 HIS A 53 -6.992 8.832 -1.255 1.00 0.00 C ATOM 762 CE1 HIS A 53 -8.016 10.398 -2.418 1.00 0.00 C ATOM 763 NE2 HIS A 53 -7.728 9.069 -2.399 1.00 0.00 N ATOM 0 H HIS A 53 -4.380 8.750 -0.554 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.785 9.827 2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.938 10.635 1.389 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.635 11.354 0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.596 7.885 -0.920 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.577 10.888 -3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.003 8.378 -3.097 1.00 0.00 H new ATOM 771 N LYS A 54 -6.942 8.212 2.413 1.00 0.00 N ATOM 772 CA LYS A 54 -7.835 7.137 2.711 1.00 0.00 C ATOM 773 C LYS A 54 -8.557 6.551 1.547 1.00 0.00 C ATOM 774 O LYS A 54 -8.988 7.253 0.634 1.00 0.00 O ATOM 775 CB LYS A 54 -8.804 7.545 3.833 1.00 0.00 C ATOM 776 CG LYS A 54 -9.763 8.678 3.463 1.00 0.00 C ATOM 777 CD LYS A 54 -10.311 9.378 4.710 1.00 0.00 C ATOM 778 CE LYS A 54 -11.264 10.530 4.387 1.00 0.00 C ATOM 779 NZ LYS A 54 -11.512 11.312 5.619 1.00 0.00 N ATOM 0 H LYS A 54 -7.186 9.075 2.899 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.196 6.322 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.388 6.673 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.224 7.847 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.246 9.403 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.590 8.279 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.832 8.647 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.478 9.759 5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.834 11.169 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.203 10.142 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.160 12.098 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.939 10.697 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.612 11.692 5.976 1.00 0.00 H new ATOM 793 N GLY A 55 -8.744 5.219 1.543 1.00 0.00 N ATOM 794 CA GLY A 55 -9.601 4.537 0.625 1.00 0.00 C ATOM 795 C GLY A 55 -9.147 4.329 -0.779 1.00 0.00 C ATOM 796 O GLY A 55 -9.923 3.820 -1.586 1.00 0.00 O ATOM 0 H GLY A 55 -8.281 4.595 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.819 3.556 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.543 5.085 0.587 1.00 0.00 H new ATOM 800 N ASP A 56 -7.892 4.667 -1.131 1.00 0.00 N ATOM 801 CA ASP A 56 -7.315 4.384 -2.408 1.00 0.00 C ATOM 802 C ASP A 56 -6.881 2.965 -2.550 1.00 0.00 C ATOM 803 O ASP A 56 -6.874 2.172 -1.611 1.00 0.00 O ATOM 804 CB ASP A 56 -6.145 5.338 -2.701 1.00 0.00 C ATOM 805 CG ASP A 56 -6.543 6.511 -3.583 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.755 6.707 -3.871 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.630 7.290 -3.965 1.00 0.00 O ATOM 0 H ASP A 56 -7.256 5.156 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.102 4.546 -3.145 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.747 5.717 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.342 4.782 -3.185 1.00 0.00 H new ATOM 812 N ARG A 57 -6.509 2.557 -3.776 1.00 0.00 N ATOM 813 CA ARG A 57 -6.347 1.178 -4.119 1.00 0.00 C ATOM 814 C ARG A 57 -5.054 0.951 -4.824 1.00 0.00 C ATOM 815 O ARG A 57 -4.952 1.026 -6.048 1.00 0.00 O ATOM 816 CB ARG A 57 -7.546 0.787 -5.001 1.00 0.00 C ATOM 817 CG ARG A 57 -7.629 -0.680 -5.426 1.00 0.00 C ATOM 818 CD ARG A 57 -8.629 -0.918 -6.560 1.00 0.00 C ATOM 819 NE ARG A 57 -10.016 -0.774 -6.033 1.00 0.00 N ATOM 820 CZ ARG A 57 -11.119 -0.902 -6.827 1.00 0.00 C ATOM 821 NH1 ARG A 57 -11.035 -0.869 -8.188 1.00 0.00 N ATOM 822 NH2 ARG A 57 -12.353 -1.057 -6.265 1.00 0.00 N ATOM 0 H ARG A 57 -6.317 3.198 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.320 0.558 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.461 1.039 -4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.523 1.402 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.642 -1.017 -5.743 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.912 -1.286 -4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.458 -0.205 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.489 -1.914 -6.980 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.146 -0.572 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.129 -0.746 -8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.878 -0.968 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.452 -1.077 -5.250 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.176 -1.152 -6.860 1.00 0.00 H new ATOM 836 N VAL A 58 -3.973 0.636 -4.089 1.00 0.00 N ATOM 837 CA VAL A 58 -2.667 0.433 -4.635 1.00 0.00 C ATOM 838 C VAL A 58 -2.484 -0.917 -5.238 1.00 0.00 C ATOM 839 O VAL A 58 -3.243 -1.847 -4.968 1.00 0.00 O ATOM 840 CB VAL A 58 -1.581 0.683 -3.631 1.00 0.00 C ATOM 841 CG1 VAL A 58 -1.740 2.090 -3.031 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.567 -0.380 -2.519 1.00 0.00 C ATOM 0 H VAL A 58 -4.010 0.518 -3.076 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.585 1.171 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.625 0.616 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.949 2.266 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.674 2.834 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.710 2.169 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.765 -0.159 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.523 -0.371 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.403 -1.364 -2.958 1.00 0.00 H new ATOM 852 N LEU A 59 -1.474 -1.085 -6.112 1.00 0.00 N ATOM 853 CA LEU A 59 -1.182 -2.355 -6.701 1.00 0.00 C ATOM 854 C LEU A 59 0.279 -2.608 -6.847 1.00 0.00 C ATOM 855 O LEU A 59 0.878 -3.281 -6.010 1.00 0.00 O ATOM 856 CB LEU A 59 -1.929 -2.521 -8.034 1.00 0.00 C ATOM 857 CG LEU A 59 -1.911 -3.939 -8.631 1.00 0.00 C ATOM 858 CD1 LEU A 59 -2.521 -4.994 -7.694 1.00 0.00 C ATOM 859 CD2 LEU A 59 -2.677 -3.935 -9.965 1.00 0.00 C ATOM 0 H LEU A 59 -0.854 -0.333 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.544 -3.117 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.966 -2.220 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.496 -1.834 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.867 -4.213 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.479 -5.973 -8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.958 -5.021 -6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.559 -4.737 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.668 -4.937 -10.393 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.707 -3.624 -9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.200 -3.241 -10.657 1.00 0.00 H new ATOM 871 N ALA A 60 0.933 -2.107 -7.910 1.00 0.00 N ATOM 872 CA ALA A 60 2.245 -2.537 -8.280 1.00 0.00 C ATOM 873 C ALA A 60 3.356 -1.772 -7.645 1.00 0.00 C ATOM 874 O ALA A 60 3.256 -0.577 -7.373 1.00 0.00 O ATOM 875 CB ALA A 60 2.413 -2.548 -9.808 1.00 0.00 C ATOM 0 H ALA A 60 0.544 -1.391 -8.523 1.00 0.00 H new ATOM 0 HA ALA A 60 2.325 -3.552 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.420 -2.879 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.686 -3.229 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.252 -1.543 -10.199 1.00 0.00 H new ATOM 881 N VAL A 61 4.468 -2.480 -7.381 1.00 0.00 N ATOM 882 CA VAL A 61 5.639 -2.013 -6.705 1.00 0.00 C ATOM 883 C VAL A 61 6.758 -2.006 -7.689 1.00 0.00 C ATOM 884 O VAL A 61 7.455 -3.003 -7.873 1.00 0.00 O ATOM 885 CB VAL A 61 6.004 -2.898 -5.551 1.00 0.00 C ATOM 886 CG1 VAL A 61 7.111 -2.251 -4.702 1.00 0.00 C ATOM 887 CG2 VAL A 61 4.770 -3.172 -4.674 1.00 0.00 C ATOM 0 H VAL A 61 4.554 -3.456 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 61 5.447 -1.016 -6.308 1.00 0.00 H new ATOM 0 HB VAL A 61 6.373 -3.842 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.362 -2.908 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 61 7.996 -2.092 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.761 -1.294 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.052 -3.816 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.381 -2.229 -4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.002 -3.665 -5.270 1.00 0.00 H new ATOM 897 N ASN A 62 6.956 -0.891 -8.416 1.00 0.00 N ATOM 898 CA ASN A 62 7.930 -0.734 -9.450 1.00 0.00 C ATOM 899 C ASN A 62 7.778 -1.738 -10.541 1.00 0.00 C ATOM 900 O ASN A 62 8.659 -2.548 -10.823 1.00 0.00 O ATOM 901 CB ASN A 62 9.350 -0.605 -8.872 1.00 0.00 C ATOM 902 CG ASN A 62 10.359 -0.142 -9.914 1.00 0.00 C ATOM 903 OD1 ASN A 62 10.028 0.592 -10.844 1.00 0.00 O ATOM 904 ND2 ASN A 62 11.636 -0.584 -9.764 1.00 0.00 N ATOM 0 H ASN A 62 6.401 -0.048 -8.271 1.00 0.00 H new ATOM 0 HA ASN A 62 7.741 0.216 -9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.339 0.101 -8.042 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.664 -1.567 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.353 -0.308 -10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.877 -1.192 -8.981 1.00 0.00 H new ATOM 911 N GLY A 63 6.593 -1.758 -11.178 1.00 0.00 N ATOM 912 CA GLY A 63 6.264 -2.668 -12.231 1.00 0.00 C ATOM 913 C GLY A 63 5.703 -3.965 -11.757 1.00 0.00 C ATOM 914 O GLY A 63 4.764 -4.503 -12.342 1.00 0.00 O ATOM 0 H GLY A 63 5.835 -1.115 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.543 -2.193 -12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.159 -2.865 -12.821 1.00 0.00 H new ATOM 918 N VAL A 64 6.262 -4.547 -10.681 1.00 0.00 N ATOM 919 CA VAL A 64 5.903 -5.851 -10.217 1.00 0.00 C ATOM 920 C VAL A 64 4.711 -5.790 -9.325 1.00 0.00 C ATOM 921 O VAL A 64 4.697 -5.115 -8.298 1.00 0.00 O ATOM 922 CB VAL A 64 7.049 -6.523 -9.519 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.688 -7.968 -9.135 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.268 -6.545 -10.455 1.00 0.00 C ATOM 0 H VAL A 64 6.984 -4.098 -10.118 1.00 0.00 H new ATOM 0 HA VAL A 64 5.649 -6.449 -11.092 1.00 0.00 H new ATOM 0 HB VAL A 64 7.275 -5.965 -8.610 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.535 -8.433 -8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.826 -7.963 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.446 -8.534 -10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.104 -7.032 -9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.020 -7.095 -11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.546 -5.523 -10.714 1.00 0.00 H new ATOM 934 N SER A 65 3.631 -6.513 -9.672 1.00 0.00 N ATOM 935 CA SER A 65 2.457 -6.605 -8.861 1.00 0.00 C ATOM 936 C SER A 65 2.658 -7.537 -7.717 1.00 0.00 C ATOM 937 O SER A 65 3.297 -8.580 -7.847 1.00 0.00 O ATOM 938 CB SER A 65 1.229 -7.066 -9.665 1.00 0.00 C ATOM 939 OG SER A 65 0.036 -6.988 -8.899 1.00 0.00 O ATOM 0 H SER A 65 3.573 -7.047 -10.539 1.00 0.00 H new ATOM 0 HA SER A 65 2.273 -5.599 -8.485 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.128 -6.450 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.379 -8.092 -10.000 1.00 0.00 H new ATOM 0 HG SER A 65 -0.734 -7.184 -9.472 1.00 0.00 H new ATOM 945 N LEU A 66 2.118 -7.192 -6.533 1.00 0.00 N ATOM 946 CA LEU A 66 2.253 -7.964 -5.338 1.00 0.00 C ATOM 947 C LEU A 66 1.199 -9.003 -5.176 1.00 0.00 C ATOM 948 O LEU A 66 1.220 -9.781 -4.224 1.00 0.00 O ATOM 949 CB LEU A 66 2.337 -7.053 -4.101 1.00 0.00 C ATOM 950 CG LEU A 66 1.171 -6.098 -3.797 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.063 -6.782 -3.183 1.00 0.00 C ATOM 952 CD2 LEU A 66 1.653 -5.005 -2.829 1.00 0.00 C ATOM 0 H LEU A 66 1.567 -6.343 -6.405 1.00 0.00 H new ATOM 0 HA LEU A 66 3.192 -8.509 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.473 -7.693 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.240 -6.450 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 66 0.859 -5.688 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.838 -6.038 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.441 -7.537 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.215 -7.256 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.830 -4.325 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.000 -5.465 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.471 -4.449 -3.286 1.00 0.00 H new ATOM 964 N GLU A 67 0.221 -9.082 -6.097 1.00 0.00 N ATOM 965 CA GLU A 67 -0.935 -9.914 -5.969 1.00 0.00 C ATOM 966 C GLU A 67 -0.658 -11.375 -5.895 1.00 0.00 C ATOM 967 O GLU A 67 0.291 -11.893 -6.480 1.00 0.00 O ATOM 968 CB GLU A 67 -1.964 -9.548 -7.053 1.00 0.00 C ATOM 969 CG GLU A 67 -1.580 -9.930 -8.484 1.00 0.00 C ATOM 970 CD GLU A 67 -2.346 -9.112 -9.513 1.00 0.00 C ATOM 971 OE1 GLU A 67 -3.607 -9.128 -9.527 1.00 0.00 O ATOM 972 OE2 GLU A 67 -1.685 -8.424 -10.336 1.00 0.00 O ATOM 0 H GLU A 67 0.237 -8.545 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.364 -9.701 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.910 -10.031 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.136 -8.472 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.510 -9.781 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.778 -10.990 -8.642 1.00 0.00 H new ATOM 979 N GLY A 68 -1.435 -12.102 -5.072 1.00 0.00 N ATOM 980 CA GLY A 68 -1.153 -13.444 -4.667 1.00 0.00 C ATOM 981 C GLY A 68 -0.548 -13.531 -3.308 1.00 0.00 C ATOM 982 O GLY A 68 -0.702 -14.538 -2.617 1.00 0.00 O ATOM 0 H GLY A 68 -2.299 -11.737 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.076 -14.024 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.476 -13.900 -5.389 1.00 0.00 H new ATOM 986 N ALA A 69 0.203 -12.500 -2.885 1.00 0.00 N ATOM 987 CA ALA A 69 0.814 -12.403 -1.595 1.00 0.00 C ATOM 988 C ALA A 69 -0.107 -12.017 -0.489 1.00 0.00 C ATOM 989 O ALA A 69 -1.107 -11.329 -0.684 1.00 0.00 O ATOM 990 CB ALA A 69 1.981 -11.403 -1.651 1.00 0.00 C ATOM 0 H ALA A 69 0.395 -11.690 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 69 1.157 -13.411 -1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.445 -11.330 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.719 -11.745 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.607 -10.424 -1.949 1.00 0.00 H new ATOM 996 N THR A 70 0.224 -12.417 0.752 1.00 0.00 N ATOM 997 CA THR A 70 -0.475 -12.021 1.935 1.00 0.00 C ATOM 998 C THR A 70 -0.024 -10.691 2.432 1.00 0.00 C ATOM 999 O THR A 70 0.975 -10.137 1.976 1.00 0.00 O ATOM 1000 CB THR A 70 -0.350 -13.000 3.064 1.00 0.00 C ATOM 1001 OG1 THR A 70 1.005 -13.358 3.302 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.115 -14.287 2.714 1.00 0.00 C ATOM 0 H THR A 70 1.009 -13.041 0.938 1.00 0.00 H new ATOM 0 HA THR A 70 -1.519 -11.977 1.626 1.00 0.00 H new ATOM 0 HB THR A 70 -0.758 -12.522 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.049 -13.996 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.024 -14.999 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.167 -14.052 2.552 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.697 -14.724 1.807 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.737 -10.124 3.421 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.473 -8.848 4.010 1.00 0.00 C ATOM 1012 C HIS A 71 0.904 -8.678 4.552 1.00 0.00 C ATOM 1013 O HIS A 71 1.553 -7.675 4.254 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.542 -8.503 5.061 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.394 -7.168 5.728 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -1.060 -5.998 5.078 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.525 -6.835 7.040 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.973 -5.025 6.023 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.233 -5.499 7.228 1.00 0.00 N ATOM 0 H HIS A 71 -1.547 -10.585 3.834 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.531 -8.133 3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.521 -8.543 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.531 -9.275 5.830 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.907 -5.884 4.076 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.816 -7.519 7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.723 -3.995 5.815 1.00 0.00 H new ATOM 1027 N LYS A 72 1.443 -9.646 5.312 1.00 0.00 N ATOM 1028 CA LYS A 72 2.778 -9.625 5.825 1.00 0.00 C ATOM 1029 C LYS A 72 3.835 -9.567 4.777 1.00 0.00 C ATOM 1030 O LYS A 72 4.807 -8.821 4.877 1.00 0.00 O ATOM 1031 CB LYS A 72 2.999 -10.834 6.750 1.00 0.00 C ATOM 1032 CG LYS A 72 4.383 -10.995 7.383 1.00 0.00 C ATOM 1033 CD LYS A 72 4.837 -9.847 8.287 1.00 0.00 C ATOM 1034 CE LYS A 72 4.118 -9.708 9.631 1.00 0.00 C ATOM 1035 NZ LYS A 72 4.422 -10.823 10.555 1.00 0.00 N ATOM 0 H LYS A 72 0.925 -10.482 5.582 1.00 0.00 H new ATOM 0 HA LYS A 72 2.876 -8.696 6.387 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.265 -10.781 7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.782 -11.738 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.391 -11.916 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.115 -11.116 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.903 -9.968 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.717 -8.913 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.405 -8.766 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.042 -9.664 9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.911 -10.682 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.124 -11.722 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.445 -10.851 10.741 1.00 0.00 H new ATOM 1049 N GLN A 73 3.665 -10.317 3.673 1.00 0.00 N ATOM 1050 CA GLN A 73 4.568 -10.322 2.564 1.00 0.00 C ATOM 1051 C GLN A 73 4.482 -9.065 1.770 1.00 0.00 C ATOM 1052 O GLN A 73 5.484 -8.507 1.325 1.00 0.00 O ATOM 1053 CB GLN A 73 4.235 -11.557 1.711 1.00 0.00 C ATOM 1054 CG GLN A 73 5.188 -11.854 0.552 1.00 0.00 C ATOM 1055 CD GLN A 73 6.502 -12.483 0.997 1.00 0.00 C ATOM 1056 OE1 GLN A 73 6.944 -12.408 2.142 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.175 -13.158 0.027 1.00 0.00 N ATOM 0 H GLN A 73 2.869 -10.943 3.548 1.00 0.00 H new ATOM 0 HA GLN A 73 5.597 -10.372 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.209 -12.428 2.365 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.231 -11.433 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.694 -12.522 -0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.399 -10.927 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.793 -13.210 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.062 -13.613 0.244 1.00 0.00 H new ATOM 1066 N ALA A 74 3.265 -8.525 1.580 1.00 0.00 N ATOM 1067 CA ALA A 74 2.994 -7.284 0.922 1.00 0.00 C ATOM 1068 C ALA A 74 3.599 -6.090 1.579 1.00 0.00 C ATOM 1069 O ALA A 74 4.186 -5.247 0.903 1.00 0.00 O ATOM 1070 CB ALA A 74 1.473 -7.090 0.795 1.00 0.00 C ATOM 0 H ALA A 74 2.416 -8.985 1.907 1.00 0.00 H new ATOM 0 HA ALA A 74 3.465 -7.355 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.267 -6.144 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.049 -7.909 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.023 -7.079 1.788 1.00 0.00 H new ATOM 1076 N VAL A 75 3.521 -5.957 2.914 1.00 0.00 N ATOM 1077 CA VAL A 75 4.120 -4.867 3.620 1.00 0.00 C ATOM 1078 C VAL A 75 5.609 -4.917 3.621 1.00 0.00 C ATOM 1079 O VAL A 75 6.265 -3.887 3.468 1.00 0.00 O ATOM 1080 CB VAL A 75 3.593 -4.658 5.009 1.00 0.00 C ATOM 1081 CG1 VAL A 75 2.084 -4.380 4.920 1.00 0.00 C ATOM 1082 CG2 VAL A 75 3.862 -5.856 5.936 1.00 0.00 C ATOM 0 H VAL A 75 3.032 -6.620 3.516 1.00 0.00 H new ATOM 0 HA VAL A 75 3.815 -3.993 3.044 1.00 0.00 H new ATOM 0 HB VAL A 75 4.118 -3.809 5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.683 -4.225 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.913 -3.487 4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.584 -5.230 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.458 -5.647 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.382 -6.746 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.936 -6.025 6.010 1.00 0.00 H new ATOM 1092 N GLU A 76 6.216 -6.113 3.725 1.00 0.00 N ATOM 1093 CA GLU A 76 7.626 -6.327 3.623 1.00 0.00 C ATOM 1094 C GLU A 76 8.185 -5.894 2.312 1.00 0.00 C ATOM 1095 O GLU A 76 9.222 -5.236 2.240 1.00 0.00 O ATOM 1096 CB GLU A 76 7.936 -7.812 3.878 1.00 0.00 C ATOM 1097 CG GLU A 76 9.411 -8.169 4.066 1.00 0.00 C ATOM 1098 CD GLU A 76 9.980 -7.818 5.433 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.566 -6.806 6.059 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.893 -8.549 5.902 1.00 0.00 O ATOM 0 H GLU A 76 5.696 -6.975 3.889 1.00 0.00 H new ATOM 0 HA GLU A 76 8.108 -5.709 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.390 -8.129 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.547 -8.392 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.536 -9.239 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.995 -7.657 3.302 1.00 0.00 H new ATOM 1107 N THR A 77 7.454 -6.172 1.219 1.00 0.00 N ATOM 1108 CA THR A 77 7.750 -5.813 -0.134 1.00 0.00 C ATOM 1109 C THR A 77 7.890 -4.344 -0.334 1.00 0.00 C ATOM 1110 O THR A 77 8.754 -3.886 -1.079 1.00 0.00 O ATOM 1111 CB THR A 77 6.721 -6.334 -1.092 1.00 0.00 C ATOM 1112 OG1 THR A 77 6.596 -7.746 -1.000 1.00 0.00 O ATOM 1113 CG2 THR A 77 7.084 -6.058 -2.562 1.00 0.00 C ATOM 0 H THR A 77 6.580 -6.693 1.289 1.00 0.00 H new ATOM 0 HA THR A 77 8.713 -6.280 -0.342 1.00 0.00 H new ATOM 0 HB THR A 77 5.801 -5.819 -0.815 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.160 -7.981 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.304 -6.457 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.172 -4.983 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.033 -6.538 -2.799 1.00 0.00 H new ATOM 1121 N LEU A 78 7.051 -3.536 0.341 1.00 0.00 N ATOM 1122 CA LEU A 78 7.080 -2.108 0.294 1.00 0.00 C ATOM 1123 C LEU A 78 8.104 -1.516 1.202 1.00 0.00 C ATOM 1124 O LEU A 78 8.669 -0.462 0.916 1.00 0.00 O ATOM 1125 CB LEU A 78 5.710 -1.526 0.686 1.00 0.00 C ATOM 1126 CG LEU A 78 4.735 -1.317 -0.484 1.00 0.00 C ATOM 1127 CD1 LEU A 78 5.182 -0.164 -1.399 1.00 0.00 C ATOM 1128 CD2 LEU A 78 4.487 -2.587 -1.315 1.00 0.00 C ATOM 0 H LEU A 78 6.317 -3.898 0.949 1.00 0.00 H new ATOM 0 HA LEU A 78 7.336 -1.851 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.244 -2.191 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.867 -0.569 1.184 1.00 0.00 H new ATOM 0 HG LEU A 78 3.785 -1.053 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.467 -0.048 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.229 0.760 -0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.167 -0.386 -1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.789 -2.363 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.430 -2.936 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.066 -3.363 -0.676 1.00 0.00 H new ATOM 1140 N ARG A 79 8.373 -2.149 2.357 1.00 0.00 N ATOM 1141 CA ARG A 79 9.313 -1.669 3.322 1.00 0.00 C ATOM 1142 C ARG A 79 10.733 -1.759 2.879 1.00 0.00 C ATOM 1143 O ARG A 79 11.482 -0.794 3.018 1.00 0.00 O ATOM 1144 CB ARG A 79 9.099 -2.380 4.670 1.00 0.00 C ATOM 1145 CG ARG A 79 7.921 -1.807 5.461 1.00 0.00 C ATOM 1146 CD ARG A 79 7.508 -2.649 6.669 1.00 0.00 C ATOM 1147 NE ARG A 79 6.710 -1.781 7.582 1.00 0.00 N ATOM 1148 CZ ARG A 79 7.266 -0.977 8.535 1.00 0.00 C ATOM 1149 NH1 ARG A 79 8.604 -0.957 8.804 1.00 0.00 N ATOM 1150 NH2 ARG A 79 6.471 -0.142 9.265 1.00 0.00 N ATOM 0 H ARG A 79 7.922 -3.023 2.629 1.00 0.00 H new ATOM 0 HA ARG A 79 9.119 -0.603 3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.930 -3.442 4.493 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.007 -2.297 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.180 -0.805 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.065 -1.705 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.920 -3.510 6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.388 -3.036 7.183 1.00 0.00 H new ATOM 0 HE ARG A 79 5.694 -1.788 7.489 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.238 -1.562 8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.970 -0.337 9.527 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.465 -0.120 9.098 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.883 0.460 9.978 1.00 0.00 H new ATOM 1164 N ASN A 80 11.186 -2.899 2.325 1.00 0.00 N ATOM 1165 CA ASN A 80 12.556 -3.085 1.961 1.00 0.00 C ATOM 1166 C ASN A 80 12.921 -2.678 0.575 1.00 0.00 C ATOM 1167 O ASN A 80 13.710 -3.318 -0.118 1.00 0.00 O ATOM 1168 CB ASN A 80 13.120 -4.437 2.430 1.00 0.00 C ATOM 1169 CG ASN A 80 12.942 -5.666 1.552 1.00 0.00 C ATOM 1170 OD1 ASN A 80 13.910 -6.368 1.261 1.00 0.00 O ATOM 1171 ND2 ASN A 80 11.683 -5.997 1.158 1.00 0.00 N ATOM 0 H ASN A 80 10.591 -3.704 2.127 1.00 0.00 H new ATOM 0 HA ASN A 80 13.099 -2.340 2.542 1.00 0.00 H new ATOM 0 HB2 ASN A 80 14.189 -4.305 2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.673 -4.660 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.526 -6.843 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.896 -5.400 1.411 1.00 0.00 H new ATOM 1178 N THR A 81 12.400 -1.519 0.131 1.00 0.00 N ATOM 1179 CA THR A 81 12.759 -0.861 -1.087 1.00 0.00 C ATOM 1180 C THR A 81 13.835 0.134 -0.821 1.00 0.00 C ATOM 1181 O THR A 81 14.998 -0.075 -1.163 1.00 0.00 O ATOM 1182 CB THR A 81 11.609 -0.205 -1.792 1.00 0.00 C ATOM 1183 OG1 THR A 81 10.861 0.650 -0.939 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.635 -1.288 -2.285 1.00 0.00 C ATOM 0 H THR A 81 11.686 -1.012 0.654 1.00 0.00 H new ATOM 0 HA THR A 81 13.115 -1.639 -1.762 1.00 0.00 H new ATOM 0 HB THR A 81 12.036 0.381 -2.606 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.225 0.117 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.797 -0.817 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.152 -1.957 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.265 -1.859 -1.434 1.00 0.00 H new ATOM 1192 N GLY A 82 13.492 1.250 -0.152 1.00 0.00 N ATOM 1193 CA GLY A 82 14.390 2.254 0.327 1.00 0.00 C ATOM 1194 C GLY A 82 14.193 3.583 -0.316 1.00 0.00 C ATOM 1195 O GLY A 82 13.328 4.356 0.094 1.00 0.00 O ATOM 0 H GLY A 82 12.519 1.464 0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.264 2.358 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.415 1.925 0.156 1.00 0.00 H new ATOM 1199 N GLN A 83 15.025 3.929 -1.313 1.00 0.00 N ATOM 1200 CA GLN A 83 15.239 5.280 -1.732 1.00 0.00 C ATOM 1201 C GLN A 83 14.206 5.882 -2.620 1.00 0.00 C ATOM 1202 O GLN A 83 13.773 7.011 -2.392 1.00 0.00 O ATOM 1203 CB GLN A 83 16.641 5.382 -2.357 1.00 0.00 C ATOM 1204 CG GLN A 83 17.138 6.813 -2.581 1.00 0.00 C ATOM 1205 CD GLN A 83 18.625 6.797 -2.907 1.00 0.00 C ATOM 1206 OE1 GLN A 83 19.474 6.527 -2.059 1.00 0.00 O ATOM 1207 NE2 GLN A 83 18.965 7.070 -4.195 1.00 0.00 N ATOM 0 H GLN A 83 15.567 3.248 -1.845 1.00 0.00 H new ATOM 0 HA GLN A 83 15.152 5.883 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.350 4.862 -1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.637 4.859 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.583 7.277 -3.396 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.958 7.414 -1.690 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.240 7.291 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.945 7.054 -4.478 1.00 0.00 H new ATOM 1216 N VAL A 84 13.781 5.178 -3.684 1.00 0.00 N ATOM 1217 CA VAL A 84 12.884 5.698 -4.670 1.00 0.00 C ATOM 1218 C VAL A 84 11.584 4.970 -4.681 1.00 0.00 C ATOM 1219 O VAL A 84 11.512 3.770 -4.415 1.00 0.00 O ATOM 1220 CB VAL A 84 13.530 5.753 -6.022 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.720 4.365 -6.657 1.00 0.00 C ATOM 1222 CG2 VAL A 84 12.770 6.687 -6.980 1.00 0.00 C ATOM 0 H VAL A 84 14.070 4.217 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 84 12.650 6.726 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 84 14.525 6.165 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.192 4.473 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 84 14.353 3.754 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.750 3.883 -6.775 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.270 6.699 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.748 6.328 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.753 7.696 -6.568 1.00 0.00 H new ATOM 1232 N VAL A 85 10.474 5.666 -4.982 1.00 0.00 N ATOM 1233 CA VAL A 85 9.161 5.103 -5.052 1.00 0.00 C ATOM 1234 C VAL A 85 8.633 5.207 -6.441 1.00 0.00 C ATOM 1235 O VAL A 85 8.309 6.292 -6.919 1.00 0.00 O ATOM 1236 CB VAL A 85 8.179 5.769 -4.132 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.841 5.010 -4.116 1.00 0.00 C ATOM 1238 CG2 VAL A 85 8.754 5.855 -2.709 1.00 0.00 C ATOM 0 H VAL A 85 10.492 6.665 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 85 9.265 4.063 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 85 7.998 6.778 -4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.146 5.512 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.421 4.991 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.006 3.989 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.031 6.340 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.963 4.851 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.677 6.435 -2.724 1.00 0.00 H new ATOM 1248 N HIS A 86 8.459 4.057 -7.117 1.00 0.00 N ATOM 1249 CA HIS A 86 7.663 3.941 -8.299 1.00 0.00 C ATOM 1250 C HIS A 86 6.528 3.049 -7.927 1.00 0.00 C ATOM 1251 O HIS A 86 6.729 1.912 -7.501 1.00 0.00 O ATOM 1252 CB HIS A 86 8.422 3.326 -9.486 1.00 0.00 C ATOM 1253 CG HIS A 86 9.154 4.359 -10.291 1.00 0.00 C ATOM 1254 ND1 HIS A 86 10.529 4.465 -10.260 1.00 0.00 N ATOM 1255 CD2 HIS A 86 8.617 5.326 -11.082 1.00 0.00 C ATOM 1256 CE1 HIS A 86 10.808 5.517 -11.007 1.00 0.00 C ATOM 1257 NE2 HIS A 86 9.685 6.072 -11.537 1.00 0.00 N ATOM 0 H HIS A 86 8.888 3.177 -6.830 1.00 0.00 H new ATOM 0 HA HIS A 86 7.351 4.932 -8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.132 2.586 -9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.719 2.798 -10.130 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.572 5.478 -11.307 1.00 0.00 H new ATOM 0 HE1 HIS A 86 11.807 5.892 -11.177 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.641 6.884 -12.153 1.00 0.00 H new ATOM 1265 N LEU A 87 5.286 3.556 -8.011 1.00 0.00 N ATOM 1266 CA LEU A 87 4.151 2.857 -7.492 1.00 0.00 C ATOM 1267 C LEU A 87 2.957 3.112 -8.348 1.00 0.00 C ATOM 1268 O LEU A 87 2.775 4.204 -8.884 1.00 0.00 O ATOM 1269 CB LEU A 87 3.919 3.265 -6.028 1.00 0.00 C ATOM 1270 CG LEU A 87 2.995 2.337 -5.221 1.00 0.00 C ATOM 1271 CD1 LEU A 87 3.531 2.169 -3.789 1.00 0.00 C ATOM 1272 CD2 LEU A 87 1.543 2.842 -5.163 1.00 0.00 C ATOM 0 H LEU A 87 5.066 4.455 -8.441 1.00 0.00 H new ATOM 0 HA LEU A 87 4.335 1.783 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.885 3.314 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.499 4.271 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 87 2.989 1.378 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.869 1.510 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.530 1.735 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.574 3.142 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.939 2.146 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.518 3.825 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.142 2.913 -6.174 1.00 0.00 H new ATOM 1284 N LEU A 88 2.100 2.090 -8.519 1.00 0.00 N ATOM 1285 CA LEU A 88 0.987 2.125 -9.416 1.00 0.00 C ATOM 1286 C LEU A 88 -0.253 1.895 -8.623 1.00 0.00 C ATOM 1287 O LEU A 88 -0.347 0.933 -7.861 1.00 0.00 O ATOM 1288 CB LEU A 88 1.160 1.025 -10.477 1.00 0.00 C ATOM 1289 CG LEU A 88 0.560 1.282 -11.870 1.00 0.00 C ATOM 1290 CD1 LEU A 88 -0.972 1.402 -11.882 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.213 2.498 -12.548 1.00 0.00 C ATOM 0 H LEU A 88 2.185 1.208 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 88 0.924 3.088 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.227 0.840 -10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.721 0.108 -10.085 1.00 0.00 H new ATOM 0 HG LEU A 88 0.792 0.389 -12.451 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.315 1.583 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.412 0.477 -11.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.277 2.232 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.765 2.651 -13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.054 3.385 -11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.283 2.321 -12.660 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.244 2.796 -8.740 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.433 2.752 -7.946 1.00 0.00 C ATOM 1305 C LEU A 89 -3.637 3.166 -8.720 1.00 0.00 C ATOM 1306 O LEU A 89 -3.572 3.731 -9.810 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.328 3.560 -6.641 1.00 0.00 C ATOM 1308 CG LEU A 89 -2.044 5.069 -6.707 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -2.328 5.688 -5.328 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -0.610 5.467 -7.101 1.00 0.00 C ATOM 0 H LEU A 89 -1.219 3.573 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.548 1.706 -7.662 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.264 3.427 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.542 3.106 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.695 5.440 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.130 6.759 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.372 5.520 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.684 5.224 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.525 6.554 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.093 5.058 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.382 5.072 -8.091 1.00 0.00 H new ATOM 1322 N GLU A 90 -4.823 2.854 -8.167 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.099 3.253 -8.674 1.00 0.00 C ATOM 1324 C GLU A 90 -6.740 4.105 -7.633 1.00 0.00 C ATOM 1325 O GLU A 90 -6.619 3.840 -6.438 1.00 0.00 O ATOM 1326 CB GLU A 90 -6.953 2.010 -8.977 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.317 2.306 -9.601 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.166 1.076 -9.888 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.741 -0.098 -9.711 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.344 1.287 -10.281 1.00 0.00 O ATOM 0 H GLU A 90 -4.895 2.292 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.998 3.813 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.395 1.358 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.105 1.456 -8.050 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.871 2.965 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.165 2.851 -10.533 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.447 5.172 -8.048 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.176 6.008 -7.146 1.00 0.00 C ATOM 1339 C LYS A 91 -9.412 5.336 -6.653 1.00 0.00 C ATOM 1340 O LYS A 91 -10.133 4.666 -7.390 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.598 7.331 -7.807 1.00 0.00 C ATOM 1342 CG LYS A 91 -7.464 8.213 -8.332 1.00 0.00 C ATOM 1343 CD LYS A 91 -8.041 9.368 -9.155 1.00 0.00 C ATOM 1344 CE LYS A 91 -7.006 10.241 -9.869 1.00 0.00 C ATOM 1345 NZ LYS A 91 -7.729 11.180 -10.757 1.00 0.00 N ATOM 0 H LYS A 91 -7.513 5.458 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.500 6.208 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.267 7.102 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.174 7.908 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.881 8.605 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.785 7.621 -8.946 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.722 8.957 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.634 10.002 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.405 10.790 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.320 9.622 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.075 11.551 -11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.512 10.681 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.108 11.968 -10.194 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.692 5.490 -5.346 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.766 4.838 -4.664 1.00 0.00 C ATOM 1361 C GLY A 92 -12.097 5.501 -4.756 1.00 0.00 C ATOM 1362 O GLY A 92 -12.622 5.805 -5.825 1.00 0.00 O ATOM 0 H GLY A 92 -9.144 6.097 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.859 3.826 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.499 4.747 -3.611 1.00 0.00 H new ATOM 1366 N GLN A 93 -12.734 5.694 -3.587 1.00 0.00 N ATOM 1367 CA GLN A 93 -14.110 6.067 -3.473 1.00 0.00 C ATOM 1368 C GLN A 93 -14.336 7.539 -3.513 1.00 0.00 C ATOM 1369 O GLN A 93 -13.745 8.307 -2.755 1.00 0.00 O ATOM 1370 CB GLN A 93 -14.710 5.516 -2.168 1.00 0.00 C ATOM 1371 CG GLN A 93 -14.500 4.011 -1.991 1.00 0.00 C ATOM 1372 CD GLN A 93 -15.032 3.512 -0.654 1.00 0.00 C ATOM 1373 OE1 GLN A 93 -15.191 4.243 0.323 1.00 0.00 O ATOM 1374 NE2 GLN A 93 -15.302 2.182 -0.587 1.00 0.00 N ATOM 0 H GLN A 93 -12.271 5.586 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.603 5.634 -4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -14.264 6.040 -1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -15.778 5.731 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -14.998 3.478 -2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.437 3.782 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.164 1.592 -1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.643 1.774 0.284 1.00 0.00 H new ATOM 1383 N SER A 94 -15.235 7.992 -4.404 1.00 0.00 N ATOM 1384 CA SER A 94 -15.629 9.361 -4.527 1.00 0.00 C ATOM 1385 C SER A 94 -16.768 9.757 -3.653 1.00 0.00 C ATOM 1386 O SER A 94 -16.572 10.709 -2.899 1.00 0.00 O ATOM 1387 CB SER A 94 -15.891 9.825 -5.970 1.00 0.00 C ATOM 1388 OG SER A 94 -14.749 9.613 -6.787 1.00 0.00 O ATOM 0 H SER A 94 -15.708 7.378 -5.067 1.00 0.00 H new ATOM 0 HA SER A 94 -14.742 9.885 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.743 9.283 -6.381 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.154 10.883 -5.974 1.00 0.00 H new ATOM 0 HG SER A 94 -14.940 9.914 -7.700 1.00 0.00 H new ATOM 1394 N PRO A 95 -17.946 9.206 -3.629 1.00 0.00 N ATOM 1395 CA PRO A 95 -19.000 9.665 -2.772 1.00 0.00 C ATOM 1396 C PRO A 95 -18.900 9.145 -1.379 1.00 0.00 C ATOM 1397 O PRO A 95 -19.761 8.385 -0.938 1.00 0.00 O ATOM 1398 CB PRO A 95 -20.261 9.168 -3.478 1.00 0.00 C ATOM 1399 CG PRO A 95 -19.839 7.827 -4.099 1.00 0.00 C ATOM 1400 CD PRO A 95 -18.367 8.085 -4.456 1.00 0.00 C ATOM 0 HA PRO A 95 -18.975 10.746 -2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -21.086 9.041 -2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -20.595 9.872 -4.240 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -19.949 7.000 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -20.434 7.580 -4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.757 7.203 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -18.257 8.318 -5.515 1.00 0.00 H new ATOM 1408 N THR A 96 -17.845 9.518 -0.633 1.00 0.00 N ATOM 1409 CA THR A 96 -17.649 9.161 0.738 1.00 0.00 C ATOM 1410 C THR A 96 -17.422 10.380 1.620 1.00 0.00 C ATOM 1411 O THR A 96 -17.386 11.533 1.114 1.00 0.00 O ATOM 1412 CB THR A 96 -16.536 8.170 0.904 1.00 0.00 C ATOM 1413 OG1 THR A 96 -16.571 7.583 2.197 1.00 0.00 O ATOM 1414 CG2 THR A 96 -15.142 8.778 0.673 1.00 0.00 C ATOM 1415 OXT THR A 96 -17.268 10.212 2.859 1.00 0.00 O ATOM 0 H THR A 96 -17.092 10.097 -1.004 1.00 0.00 H new ATOM 0 HA THR A 96 -18.572 8.684 1.066 1.00 0.00 H new ATOM 0 HB THR A 96 -16.700 7.412 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.768 8.273 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.382 8.008 0.808 1.00 0.00 H new ATOM 0 HG22 THR A 96 -15.081 9.174 -0.341 1.00 0.00 H new ATOM 0 HG23 THR A 96 -14.974 9.584 1.388 1.00 0.00 H new TER 1423 THR A 96 ATOM 1424 N PHE B 1 -20.430 -14.477 -2.762 1.00 0.00 N ATOM 1425 CA PHE B 1 -20.457 -13.198 -2.018 1.00 0.00 C ATOM 1426 C PHE B 1 -21.830 -12.884 -1.531 1.00 0.00 C ATOM 1427 O PHE B 1 -22.575 -12.140 -2.167 1.00 0.00 O ATOM 1428 CB PHE B 1 -19.912 -12.053 -2.888 1.00 0.00 C ATOM 1429 CG PHE B 1 -18.451 -12.209 -3.130 1.00 0.00 C ATOM 1430 CD1 PHE B 1 -17.547 -11.771 -2.191 1.00 0.00 C ATOM 1431 CD2 PHE B 1 -17.985 -12.805 -4.279 1.00 0.00 C ATOM 1432 CE1 PHE B 1 -16.196 -11.921 -2.395 1.00 0.00 C ATOM 1433 CE2 PHE B 1 -16.635 -12.970 -4.483 1.00 0.00 C ATOM 1434 CZ PHE B 1 -15.738 -12.525 -3.543 1.00 0.00 C ATOM 0 H1 PHE B 1 -19.672 -14.449 -3.473 1.00 0.00 H new ATOM 0 H2 PHE B 1 -20.255 -15.260 -2.100 1.00 0.00 H new ATOM 0 H3 PHE B 1 -21.344 -14.622 -3.236 1.00 0.00 H new ATOM 0 HA PHE B 1 -19.812 -13.305 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -20.441 -12.033 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -20.102 -11.098 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -17.902 -11.304 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -18.685 -13.146 -5.027 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -15.495 -11.565 -1.655 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -16.280 -13.450 -5.383 1.00 0.00 H new ATOM 0 HZ PHE B 1 -14.677 -12.649 -3.704 1.00 0.00 H new ATOM 1446 N ALA B 2 -22.225 -13.469 -0.386 1.00 0.00 N ATOM 1447 CA ALA B 2 -23.526 -13.324 0.188 1.00 0.00 C ATOM 1448 C ALA B 2 -23.399 -12.785 1.572 1.00 0.00 C ATOM 1449 O ALA B 2 -23.338 -11.573 1.767 1.00 0.00 O ATOM 1450 CB ALA B 2 -24.267 -14.671 0.165 1.00 0.00 C ATOM 0 H ALA B 2 -21.610 -14.069 0.163 1.00 0.00 H new ATOM 0 HA ALA B 2 -24.114 -12.618 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -25.257 -14.549 0.605 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -24.367 -15.014 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -23.703 -15.406 0.739 1.00 0.00 H new ATOM 1456 N ASP B 3 -23.332 -13.663 2.589 1.00 0.00 N ATOM 1457 CA ASP B 3 -22.932 -13.323 3.920 1.00 0.00 C ATOM 1458 C ASP B 3 -21.554 -13.858 4.105 1.00 0.00 C ATOM 1459 O ASP B 3 -21.054 -14.648 3.307 1.00 0.00 O ATOM 1460 CB ASP B 3 -23.959 -13.855 4.933 1.00 0.00 C ATOM 1461 CG ASP B 3 -23.896 -13.145 6.277 1.00 0.00 C ATOM 1462 OD1 ASP B 3 -23.959 -11.888 6.304 1.00 0.00 O ATOM 1463 OD2 ASP B 3 -23.823 -13.839 7.326 1.00 0.00 O ATOM 0 H ASP B 3 -23.566 -14.650 2.480 1.00 0.00 H new ATOM 0 HA ASP B 3 -22.906 -12.246 4.088 1.00 0.00 H new ATOM 0 HB2 ASP B 3 -24.961 -13.745 4.517 1.00 0.00 H new ATOM 0 HB3 ASP B 3 -23.792 -14.921 5.084 1.00 0.00 H new ATOM 1468 N SER B 4 -20.825 -13.406 5.141 1.00 0.00 N ATOM 1469 CA SER B 4 -19.402 -13.531 5.210 1.00 0.00 C ATOM 1470 C SER B 4 -18.874 -14.852 5.651 1.00 0.00 C ATOM 1471 O SER B 4 -17.831 -15.286 5.164 1.00 0.00 O ATOM 1472 CB SER B 4 -18.807 -12.426 6.100 1.00 0.00 C ATOM 1473 OG SER B 4 -19.518 -12.306 7.323 1.00 0.00 O ATOM 0 H SER B 4 -21.235 -12.942 5.951 1.00 0.00 H new ATOM 0 HA SER B 4 -19.083 -13.429 4.173 1.00 0.00 H new ATOM 0 HB2 SER B 4 -17.760 -12.648 6.307 1.00 0.00 H new ATOM 0 HB3 SER B 4 -18.833 -11.475 5.568 1.00 0.00 H new ATOM 0 HG SER B 4 -19.473 -11.379 7.638 1.00 0.00 H new ATOM 1479 N GLU B 5 -19.547 -15.533 6.595 1.00 0.00 N ATOM 1480 CA GLU B 5 -19.161 -16.793 7.151 1.00 0.00 C ATOM 1481 C GLU B 5 -17.933 -16.681 7.988 1.00 0.00 C ATOM 1482 O GLU B 5 -16.866 -17.202 7.668 1.00 0.00 O ATOM 1483 CB GLU B 5 -19.128 -17.933 6.120 1.00 0.00 C ATOM 1484 CG GLU B 5 -19.163 -19.341 6.716 1.00 0.00 C ATOM 1485 CD GLU B 5 -19.160 -20.440 5.662 1.00 0.00 C ATOM 1486 OE1 GLU B 5 -19.025 -20.151 4.444 1.00 0.00 O ATOM 1487 OE2 GLU B 5 -19.271 -21.637 6.041 1.00 0.00 O ATOM 0 H GLU B 5 -20.416 -15.181 6.995 1.00 0.00 H new ATOM 0 HA GLU B 5 -19.955 -17.089 7.837 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -19.977 -17.818 5.446 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -18.226 -17.832 5.517 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -18.302 -19.473 7.371 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -20.054 -19.444 7.336 1.00 0.00 H new ATOM 1494 N ALA B 6 -18.079 -15.937 9.098 1.00 0.00 N ATOM 1495 CA ALA B 6 -17.089 -15.595 10.073 1.00 0.00 C ATOM 1496 C ALA B 6 -16.164 -14.511 9.638 1.00 0.00 C ATOM 1497 O ALA B 6 -15.129 -14.737 9.014 1.00 0.00 O ATOM 1498 CB ALA B 6 -16.341 -16.803 10.663 1.00 0.00 C ATOM 0 H ALA B 6 -18.985 -15.534 9.335 1.00 0.00 H new ATOM 0 HA ALA B 6 -17.669 -15.180 10.897 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -15.609 -16.457 11.393 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -17.053 -17.469 11.151 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -15.830 -17.340 9.864 1.00 0.00 H new ATOM 1504 N ASP B 7 -16.521 -13.257 9.968 1.00 0.00 N ATOM 1505 CA ASP B 7 -15.762 -12.077 9.691 1.00 0.00 C ATOM 1506 C ASP B 7 -14.856 -11.761 10.831 1.00 0.00 C ATOM 1507 O ASP B 7 -15.253 -11.818 11.994 1.00 0.00 O ATOM 1508 CB ASP B 7 -16.764 -10.939 9.431 1.00 0.00 C ATOM 1509 CG ASP B 7 -16.118 -9.619 9.036 1.00 0.00 C ATOM 1510 OD1 ASP B 7 -15.281 -9.607 8.094 1.00 0.00 O ATOM 1511 OD2 ASP B 7 -16.474 -8.577 9.648 1.00 0.00 O ATOM 0 H ASP B 7 -17.393 -13.055 10.458 1.00 0.00 H new ATOM 0 HA ASP B 7 -15.126 -12.217 8.817 1.00 0.00 H new ATOM 0 HB2 ASP B 7 -17.449 -11.246 8.641 1.00 0.00 H new ATOM 0 HB3 ASP B 7 -17.362 -10.784 10.329 1.00 0.00 H new ATOM 1516 N GLU B 8 -13.590 -11.414 10.536 1.00 0.00 N ATOM 1517 CA GLU B 8 -12.634 -10.926 11.481 1.00 0.00 C ATOM 1518 C GLU B 8 -11.501 -10.325 10.724 1.00 0.00 C ATOM 1519 O GLU B 8 -11.585 -10.140 9.511 1.00 0.00 O ATOM 1520 CB GLU B 8 -12.170 -11.991 12.489 1.00 0.00 C ATOM 1521 CG GLU B 8 -11.446 -13.198 11.887 1.00 0.00 C ATOM 1522 CD GLU B 8 -11.475 -14.398 12.823 1.00 0.00 C ATOM 1523 OE1 GLU B 8 -11.020 -14.299 13.994 1.00 0.00 O ATOM 1524 OE2 GLU B 8 -11.979 -15.467 12.389 1.00 0.00 O ATOM 0 H GLU B 8 -13.215 -11.477 9.590 1.00 0.00 H new ATOM 0 HA GLU B 8 -13.109 -10.166 12.101 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -11.508 -11.516 13.213 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -13.040 -12.349 13.039 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -11.912 -13.465 10.938 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -10.412 -12.931 11.670 1.00 0.00 H new ATOM 1531 N ASN B 9 -10.395 -9.957 11.396 1.00 0.00 N ATOM 1532 CA ASN B 9 -9.228 -9.409 10.778 1.00 0.00 C ATOM 1533 C ASN B 9 -8.091 -10.361 10.932 1.00 0.00 C ATOM 1534 O ASN B 9 -8.246 -11.462 11.457 1.00 0.00 O ATOM 1535 CB ASN B 9 -8.871 -8.059 11.421 1.00 0.00 C ATOM 1536 CG ASN B 9 -10.030 -7.088 11.250 1.00 0.00 C ATOM 1537 OD1 ASN B 9 -10.342 -6.618 10.156 1.00 0.00 O ATOM 1538 ND2 ASN B 9 -10.712 -6.759 12.379 1.00 0.00 N ATOM 0 H ASN B 9 -10.311 -10.045 12.409 1.00 0.00 H new ATOM 0 HA ASN B 9 -9.426 -9.249 9.718 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -8.652 -8.196 12.480 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -7.971 -7.652 10.959 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -11.499 -6.111 12.329 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -10.437 -7.160 13.276 1.00 0.00 H new ATOM 1545 N GLU B 10 -6.881 -9.977 10.487 1.00 0.00 N ATOM 1546 CA GLU B 10 -5.690 -10.743 10.686 1.00 0.00 C ATOM 1547 C GLU B 10 -4.686 -9.909 11.404 1.00 0.00 C ATOM 1548 O GLU B 10 -4.477 -10.097 12.602 1.00 0.00 O ATOM 1549 CB GLU B 10 -5.148 -11.320 9.368 1.00 0.00 C ATOM 1550 CG GLU B 10 -4.213 -12.521 9.530 1.00 0.00 C ATOM 1551 CD GLU B 10 -4.970 -13.796 9.869 1.00 0.00 C ATOM 1552 OE1 GLU B 10 -5.567 -14.405 8.941 1.00 0.00 O ATOM 1553 OE2 GLU B 10 -4.957 -14.220 11.056 1.00 0.00 O ATOM 0 H GLU B 10 -6.727 -9.109 9.974 1.00 0.00 H new ATOM 0 HA GLU B 10 -5.923 -11.609 11.305 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -5.991 -11.615 8.743 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -4.616 -10.532 8.834 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -3.651 -12.669 8.608 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -3.487 -12.311 10.316 1.00 0.00 H new ATOM 1560 N GLN B 11 -4.041 -8.929 10.746 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.157 -8.007 11.388 1.00 0.00 C ATOM 1562 C GLN B 11 -3.375 -6.642 10.833 1.00 0.00 C ATOM 1563 O GLN B 11 -3.997 -6.492 9.781 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.674 -8.371 11.205 1.00 0.00 C ATOM 1565 CG GLN B 11 -1.311 -9.771 11.702 1.00 0.00 C ATOM 1566 CD GLN B 11 0.192 -10.004 11.625 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.717 -10.506 10.633 1.00 0.00 O ATOM 1568 NE2 GLN B 11 0.911 -9.612 12.712 1.00 0.00 N ATOM 0 H GLN B 11 -4.137 -8.774 9.742 1.00 0.00 H new ATOM 0 HA GLN B 11 -3.383 -8.046 12.454 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.420 -8.295 10.148 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.063 -7.639 11.734 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -1.650 -9.895 12.731 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -1.830 -10.519 11.103 1.00 0.00 H new ATOM 0 HE21 GLN B 11 0.437 -9.199 13.515 1.00 0.00 H new ATOM 0 HE22 GLN B 11 1.924 -9.731 12.723 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.863 -5.586 11.489 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.895 -4.248 10.985 1.00 0.00 C ATOM 1579 C VAL B 12 -1.511 -3.700 10.940 1.00 0.00 C ATOM 1580 O VAL B 12 -0.674 -4.058 11.768 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.854 -3.400 11.767 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -3.343 -3.038 13.171 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -4.255 -2.147 10.970 1.00 0.00 C ATOM 0 H VAL B 12 -2.412 -5.666 12.400 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.274 -4.245 9.963 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.745 -4.008 11.925 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.085 -2.424 13.681 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.172 -3.950 13.742 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.409 -2.482 13.086 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.951 -1.549 11.558 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.366 -1.557 10.749 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.733 -2.447 10.037 1.00 0.00 H new ATOM 1593 N SER B 13 -1.178 -2.845 9.956 1.00 0.00 N ATOM 1594 CA SER B 13 0.157 -2.387 9.721 1.00 0.00 C ATOM 1595 C SER B 13 0.231 -0.928 9.432 1.00 0.00 C ATOM 1596 O SER B 13 -0.779 -0.230 9.352 1.00 0.00 O ATOM 1597 CB SER B 13 0.823 -3.088 8.524 1.00 0.00 C ATOM 1598 OG SER B 13 0.974 -4.479 8.768 1.00 0.00 O ATOM 0 H SER B 13 -1.860 -2.460 9.303 1.00 0.00 H new ATOM 0 HA SER B 13 0.675 -2.622 10.651 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.221 -2.936 7.628 1.00 0.00 H new ATOM 0 HB3 SER B 13 1.798 -2.641 8.333 1.00 0.00 H new ATOM 0 HG SER B 13 0.195 -4.959 8.418 1.00 0.00 H new ATOM 1604 N ALA B 14 1.462 -0.411 9.271 1.00 0.00 N ATOM 1605 CA ALA B 14 1.745 0.895 8.764 1.00 0.00 C ATOM 1606 C ALA B 14 3.059 0.864 8.062 1.00 0.00 C ATOM 1607 O ALA B 14 3.888 -0.008 8.318 1.00 0.00 O ATOM 1608 CB ALA B 14 1.770 1.939 9.894 1.00 0.00 C ATOM 0 H ALA B 14 2.305 -0.934 9.508 1.00 0.00 H new ATOM 0 HA ALA B 14 0.957 1.183 8.068 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.988 2.922 9.476 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.799 1.962 10.390 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.541 1.673 10.618 1.00 0.00 H new ATOM 1614 N VAL B 15 3.301 1.810 7.137 1.00 0.00 N ATOM 1615 CA VAL B 15 4.520 1.981 6.410 1.00 0.00 C ATOM 1616 C VAL B 15 4.729 3.487 6.322 1.00 0.00 C ATOM 1617 O VAL B 15 3.734 4.226 6.104 1.00 0.00 O ATOM 1618 CB VAL B 15 4.504 1.404 5.025 1.00 0.00 C ATOM 1619 CG1 VAL B 15 5.873 1.593 4.351 1.00 0.00 C ATOM 1620 CG2 VAL B 15 4.184 -0.100 5.066 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.872 3.976 6.532 1.00 0.00 O ATOM 0 H VAL B 15 2.596 2.502 6.881 1.00 0.00 H new ATOM 0 HA VAL B 15 5.317 1.449 6.929 1.00 0.00 H new ATOM 0 HB VAL B 15 3.734 1.926 4.457 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.846 1.169 3.347 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.105 2.656 4.290 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.640 1.087 4.937 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.177 -0.498 4.051 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.942 -0.617 5.654 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.205 -0.251 5.522 1.00 0.00 H new TER 1631 VAL B 15