USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 973 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 45 THR OG1 : rot -170:sc= -0.856 USER MOD Set 1.2: A 48 GLN : amide:sc= 0 X(o=-0.86,f=-0.92) USER MOD Set 2.1: A 3 LYS NZ :NH3+ -167:sc= -0.0575 (180deg=0) USER MOD Set 2.2: A 79 HIS : no HD1:sc= -3.8 K(o=-3.9,f=-5.2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 13 ASN : amide:sc= -7.33! C(o=-7.3!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.0671 X(o=-0.067,f=-0.017) USER MOD Single : A 16 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.26) USER MOD Single : A 21 THR OG1 : rot 50:sc= 0.0466 USER MOD Single : A 31 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.0929 (180deg=-0.801) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.658 (180deg=-1.94!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 114:sc= 0.117 USER MOD Single : A 63 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.03) USER MOD Single : A 64 HIS : no HD1:sc= -13.6! C(o=-14!,f=-14!) USER MOD Single : A 66 SER OG : rot 170:sc= -0.219 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 1.48 (180deg=0.348) USER MOD Single : A 73 TYR OH : rot 180:sc=-0.000495 USER MOD Single : A 81 THR OG1 : rot -130:sc= -1.03 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.058) USER MOD Single : A 105 MET CE :methyl 160:sc= -0.0639 (180deg=-0.458) USER MOD Single : A 106 SER OG : rot 36:sc= 0.733 USER MOD Single : A 111 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 119 ASN : amide:sc= -7.45! C(o=-7.5!,f=-16!) USER MOD Single : A 125 LYS NZ :NH3+ 169:sc= -0.026 (180deg=-0.174) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -22.251 -5.292 -3.088 1.00 0.00 N ATOM 21 CA LYS A 2 -21.129 -4.521 -3.610 1.00 0.00 C ATOM 22 C LYS A 2 -19.801 -5.115 -3.152 1.00 0.00 C ATOM 23 O LYS A 2 -19.630 -5.447 -1.979 1.00 0.00 O ATOM 24 CB LYS A 2 -21.233 -3.062 -3.161 1.00 0.00 C ATOM 25 CG LYS A 2 -20.842 -2.065 -4.239 1.00 0.00 C ATOM 26 CD LYS A 2 -21.190 -0.642 -3.833 1.00 0.00 C ATOM 27 CE LYS A 2 -22.561 -0.235 -4.351 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.765 1.238 -4.286 1.00 0.00 N ATOM 0 HA LYS A 2 -21.167 -4.561 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.256 -2.860 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.595 -2.912 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.772 -2.138 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.352 -2.314 -5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.170 -0.557 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.435 0.043 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -22.674 -0.572 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.333 -0.734 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.711 1.474 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.682 1.557 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.044 1.714 -4.865 1.00 0.00 H new ATOM 42 N LYS A 3 -18.864 -5.247 -4.085 1.00 0.00 N ATOM 43 CA LYS A 3 -17.551 -5.800 -3.777 1.00 0.00 C ATOM 44 C LYS A 3 -16.454 -5.039 -4.512 1.00 0.00 C ATOM 45 O LYS A 3 -16.576 -4.745 -5.702 1.00 0.00 O ATOM 46 CB LYS A 3 -17.498 -7.282 -4.152 1.00 0.00 C ATOM 47 CG LYS A 3 -18.630 -8.101 -3.553 1.00 0.00 C ATOM 48 CD LYS A 3 -18.548 -9.559 -3.978 1.00 0.00 C ATOM 49 CE LYS A 3 -17.252 -10.202 -3.514 1.00 0.00 C ATOM 50 NZ LYS A 3 -17.455 -11.614 -3.085 1.00 0.00 N ATOM 0 H LYS A 3 -18.990 -4.978 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.384 -5.697 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.528 -7.375 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.546 -7.698 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.592 -8.035 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -19.587 -7.683 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.395 -10.107 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.621 -9.627 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.521 -10.170 -4.322 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.838 -9.627 -2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.612 -11.947 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.283 -11.671 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.612 -12.212 -3.921 1.00 0.00 H new ATOM 64 N LEU A 4 -15.381 -4.721 -3.795 1.00 0.00 N ATOM 65 CA LEU A 4 -14.260 -3.992 -4.376 1.00 0.00 C ATOM 66 C LEU A 4 -12.941 -4.444 -3.756 1.00 0.00 C ATOM 67 O LEU A 4 -12.868 -4.710 -2.557 1.00 0.00 O ATOM 68 CB LEU A 4 -14.450 -2.489 -4.176 1.00 0.00 C ATOM 69 CG LEU A 4 -14.417 -2.021 -2.719 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.369 -0.936 -2.531 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.788 -1.522 -2.285 1.00 0.00 C ATOM 0 H LEU A 4 -15.264 -4.957 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.227 -4.206 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.672 -1.963 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.404 -2.197 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.148 -2.871 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.360 -0.616 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.388 -1.328 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.607 -0.086 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.744 -1.194 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -16.088 -0.686 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.515 -2.328 -2.380 1.00 0.00 H new ATOM 83 N GLN A 5 -11.904 -4.545 -4.582 1.00 0.00 N ATOM 84 CA GLN A 5 -10.594 -4.984 -4.113 1.00 0.00 C ATOM 85 C GLN A 5 -9.597 -3.837 -4.026 1.00 0.00 C ATOM 86 O GLN A 5 -9.653 -2.878 -4.797 1.00 0.00 O ATOM 87 CB GLN A 5 -10.034 -6.062 -5.037 1.00 0.00 C ATOM 88 CG GLN A 5 -11.071 -7.082 -5.461 1.00 0.00 C ATOM 89 CD GLN A 5 -10.482 -8.210 -6.285 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.097 -8.017 -7.438 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.410 -9.398 -5.696 1.00 0.00 N ATOM 0 H GLN A 5 -11.945 -4.329 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.737 -5.386 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.615 -5.589 -5.925 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.215 -6.574 -4.532 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.549 -7.497 -4.574 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.849 -6.584 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.741 -9.513 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.024 -10.195 -6.201 1.00 0.00 H new ATOM 100 N ILE A 6 -8.670 -3.970 -3.089 1.00 0.00 N ATOM 101 CA ILE A 6 -7.618 -2.985 -2.880 1.00 0.00 C ATOM 102 C ILE A 6 -6.342 -3.687 -2.429 1.00 0.00 C ATOM 103 O ILE A 6 -6.312 -4.302 -1.364 1.00 0.00 O ATOM 104 CB ILE A 6 -8.009 -1.914 -1.831 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.333 -2.269 -1.138 1.00 0.00 C ATOM 106 CG2 ILE A 6 -8.097 -0.544 -2.487 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.565 -1.933 -1.951 1.00 0.00 C ATOM 0 H ILE A 6 -8.626 -4.765 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.460 -2.475 -3.830 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.232 -1.888 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.339 -3.336 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.385 -1.742 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.373 0.200 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.130 -0.284 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.851 -0.565 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.458 -2.214 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.586 -0.862 -2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.540 -2.480 -2.893 1.00 0.00 H new ATOM 119 N ALA A 7 -5.291 -3.598 -3.238 1.00 0.00 N ATOM 120 CA ALA A 7 -4.026 -4.235 -2.898 1.00 0.00 C ATOM 121 C ALA A 7 -2.903 -3.220 -2.919 1.00 0.00 C ATOM 122 O ALA A 7 -2.821 -2.399 -3.822 1.00 0.00 O ATOM 123 CB ALA A 7 -3.727 -5.388 -3.845 1.00 0.00 C ATOM 0 H ALA A 7 -5.290 -3.095 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.107 -4.641 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.777 -5.847 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.522 -6.130 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.667 -5.013 -4.867 1.00 0.00 H new ATOM 129 N VAL A 8 -2.047 -3.269 -1.915 1.00 0.00 N ATOM 130 CA VAL A 8 -0.941 -2.335 -1.830 1.00 0.00 C ATOM 131 C VAL A 8 0.296 -2.999 -1.241 1.00 0.00 C ATOM 132 O VAL A 8 0.211 -4.055 -0.617 1.00 0.00 O ATOM 133 CB VAL A 8 -1.311 -1.087 -0.995 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.821 -0.942 -0.865 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.657 -1.140 0.377 1.00 0.00 C ATOM 0 H VAL A 8 -2.096 -3.943 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.719 -2.015 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.932 -0.210 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.052 -0.056 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.264 -0.842 -1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.230 -1.824 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.932 -0.252 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.996 -2.030 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.426 -1.177 0.262 1.00 0.00 H new ATOM 145 N GLY A 9 1.441 -2.362 -1.435 1.00 0.00 N ATOM 146 CA GLY A 9 2.680 -2.892 -0.909 1.00 0.00 C ATOM 147 C GLY A 9 3.588 -1.800 -0.380 1.00 0.00 C ATOM 148 O GLY A 9 3.839 -0.810 -1.069 1.00 0.00 O ATOM 0 H GLY A 9 1.533 -1.486 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.461 -3.600 -0.109 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.198 -3.446 -1.692 1.00 0.00 H new ATOM 152 N ILE A 10 4.089 -1.977 0.838 1.00 0.00 N ATOM 153 CA ILE A 10 4.981 -0.991 1.436 1.00 0.00 C ATOM 154 C ILE A 10 6.338 -1.039 0.748 1.00 0.00 C ATOM 155 O ILE A 10 7.090 -1.996 0.918 1.00 0.00 O ATOM 156 CB ILE A 10 5.174 -1.196 2.963 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.515 -2.490 3.453 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.623 -0.005 3.730 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.713 -2.742 4.933 1.00 0.00 C ATOM 0 H ILE A 10 3.895 -2.787 1.426 1.00 0.00 H new ATOM 0 HA ILE A 10 4.513 -0.017 1.295 1.00 0.00 H new ATOM 0 HB ILE A 10 6.245 -1.279 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.447 -2.449 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.921 -3.331 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.765 -0.163 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.148 0.900 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.559 0.104 3.518 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.221 -3.674 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.779 -2.815 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.282 -1.919 5.503 1.00 0.00 H new ATOM 171 N ILE A 11 6.639 -0.012 -0.041 1.00 0.00 N ATOM 172 CA ILE A 11 7.902 0.041 -0.771 1.00 0.00 C ATOM 173 C ILE A 11 9.079 0.281 0.162 1.00 0.00 C ATOM 174 O ILE A 11 9.082 1.235 0.935 1.00 0.00 O ATOM 175 CB ILE A 11 7.902 1.136 -1.858 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.511 1.293 -2.483 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.932 0.804 -2.928 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.510 2.113 -3.756 1.00 0.00 C ATOM 0 H ILE A 11 6.029 0.792 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 11 8.009 -0.932 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 11 8.167 2.085 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.104 0.305 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.846 1.762 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.926 1.581 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.922 0.747 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.686 -0.155 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.493 2.183 -4.143 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.887 3.114 -3.545 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.149 1.634 -4.498 1.00 0.00 H new ATOM 190 N ARG A 12 10.074 -0.601 0.082 1.00 0.00 N ATOM 191 CA ARG A 12 11.266 -0.507 0.916 1.00 0.00 C ATOM 192 C ARG A 12 12.330 0.372 0.276 1.00 0.00 C ATOM 193 O ARG A 12 12.715 0.167 -0.879 1.00 0.00 O ATOM 194 CB ARG A 12 11.841 -1.895 1.183 1.00 0.00 C ATOM 195 CG ARG A 12 11.608 -2.374 2.604 1.00 0.00 C ATOM 196 CD ARG A 12 12.916 -2.548 3.360 1.00 0.00 C ATOM 197 NE ARG A 12 13.361 -3.940 3.372 1.00 0.00 N ATOM 198 CZ ARG A 12 12.844 -4.877 4.163 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.865 -4.576 5.007 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.306 -6.119 4.109 1.00 0.00 N ATOM 0 H ARG A 12 10.075 -1.395 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 12 10.968 -0.050 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.394 -2.606 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.912 -1.883 0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.976 -1.659 3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.070 -3.322 2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.685 -1.926 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.792 -2.198 4.385 1.00 0.00 H new ATOM 0 HE ARG A 12 14.112 -4.209 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.505 -3.623 5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.472 -5.298 5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.057 -6.356 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.910 -6.837 4.715 1.00 0.00 H new ATOM 214 N ASN A 13 12.790 1.346 1.054 1.00 0.00 N ATOM 215 CA ASN A 13 13.811 2.294 0.620 1.00 0.00 C ATOM 216 C ASN A 13 15.176 1.648 0.471 1.00 0.00 C ATOM 217 O ASN A 13 15.334 0.429 0.543 1.00 0.00 O ATOM 218 CB ASN A 13 13.919 3.468 1.585 1.00 0.00 C ATOM 219 CG ASN A 13 14.199 4.783 0.883 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.413 4.821 -0.328 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.205 5.871 1.646 1.00 0.00 N ATOM 0 H ASN A 13 12.464 1.501 2.008 1.00 0.00 H new ATOM 0 HA ASN A 13 13.493 2.652 -0.359 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.991 3.554 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.714 3.269 2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.392 6.784 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.022 5.793 2.646 1.00 0.00 H new ATOM 228 N GLU A 14 16.151 2.510 0.240 1.00 0.00 N ATOM 229 CA GLU A 14 17.539 2.117 0.042 1.00 0.00 C ATOM 230 C GLU A 14 18.163 1.487 1.289 1.00 0.00 C ATOM 231 O GLU A 14 19.264 0.940 1.223 1.00 0.00 O ATOM 232 CB GLU A 14 18.343 3.349 -0.379 1.00 0.00 C ATOM 233 CG GLU A 14 19.852 3.168 -0.303 1.00 0.00 C ATOM 234 CD GLU A 14 20.414 3.526 1.059 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.249 4.690 1.482 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.019 2.644 1.702 1.00 0.00 O ATOM 0 H GLU A 14 16.001 3.517 0.184 1.00 0.00 H new ATOM 0 HA GLU A 14 17.562 1.354 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.072 3.614 -1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.057 4.189 0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.102 2.133 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.327 3.788 -1.063 1.00 0.00 H new ATOM 243 N ASN A 15 17.480 1.571 2.421 1.00 0.00 N ATOM 244 CA ASN A 15 18.011 1.008 3.659 1.00 0.00 C ATOM 245 C ASN A 15 16.958 0.197 4.410 1.00 0.00 C ATOM 246 O ASN A 15 16.920 -1.030 4.309 1.00 0.00 O ATOM 247 CB ASN A 15 18.561 2.124 4.553 1.00 0.00 C ATOM 248 CG ASN A 15 19.113 1.602 5.866 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.738 2.071 6.941 1.00 0.00 O ATOM 250 ND2 ASN A 15 20.009 0.625 5.785 1.00 0.00 N ATOM 0 H ASN A 15 16.567 2.018 2.511 1.00 0.00 H new ATOM 0 HA ASN A 15 18.821 0.328 3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.347 2.658 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.769 2.844 4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.415 0.234 6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.291 0.266 4.873 1.00 0.00 H new ATOM 257 N ASN A 16 16.111 0.882 5.170 1.00 0.00 N ATOM 258 CA ASN A 16 15.068 0.212 5.944 1.00 0.00 C ATOM 259 C ASN A 16 13.839 1.100 6.118 1.00 0.00 C ATOM 260 O ASN A 16 12.980 0.828 6.957 1.00 0.00 O ATOM 261 CB ASN A 16 15.609 -0.207 7.309 1.00 0.00 C ATOM 262 CG ASN A 16 15.587 -1.711 7.504 1.00 0.00 C ATOM 263 OD1 ASN A 16 14.638 -2.387 7.104 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.634 -2.242 8.124 1.00 0.00 N ATOM 0 H ASN A 16 16.124 1.897 5.268 1.00 0.00 H new ATOM 0 HA ASN A 16 14.764 -0.676 5.390 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.631 0.156 7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.017 0.267 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.674 -3.248 8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.398 -1.644 8.438 1.00 0.00 H new ATOM 271 N GLU A 17 13.747 2.147 5.306 1.00 0.00 N ATOM 272 CA GLU A 17 12.610 3.054 5.356 1.00 0.00 C ATOM 273 C GLU A 17 11.659 2.703 4.226 1.00 0.00 C ATOM 274 O GLU A 17 12.052 2.030 3.285 1.00 0.00 O ATOM 275 CB GLU A 17 13.071 4.507 5.231 1.00 0.00 C ATOM 276 CG GLU A 17 14.272 4.843 6.101 1.00 0.00 C ATOM 277 CD GLU A 17 15.356 5.583 5.341 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.477 5.365 4.118 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.083 6.381 5.970 1.00 0.00 O ATOM 0 H GLU A 17 14.448 2.388 4.605 1.00 0.00 H new ATOM 0 HA GLU A 17 12.102 2.948 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.319 4.712 4.190 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.244 5.166 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.946 5.451 6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.686 3.923 6.513 1.00 0.00 H new ATOM 286 N ILE A 18 10.409 3.125 4.320 1.00 0.00 N ATOM 287 CA ILE A 18 9.440 2.806 3.280 1.00 0.00 C ATOM 288 C ILE A 18 8.681 4.050 2.822 1.00 0.00 C ATOM 289 O ILE A 18 8.278 4.883 3.633 1.00 0.00 O ATOM 290 CB ILE A 18 8.440 1.730 3.767 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.068 0.334 3.724 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.155 1.751 2.945 1.00 0.00 C ATOM 293 CD1 ILE A 18 10.247 0.160 4.658 1.00 0.00 C ATOM 0 H ILE A 18 10.043 3.681 5.093 1.00 0.00 H new ATOM 0 HA ILE A 18 9.997 2.412 2.430 1.00 0.00 H new ATOM 0 HB ILE A 18 8.189 1.968 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.306 -0.404 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.391 0.123 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.475 0.983 3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.681 2.729 3.035 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.389 1.556 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.635 -0.855 4.569 1.00 0.00 H new ATOM 0 HD12 ILE A 18 11.029 0.872 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.927 0.337 5.685 1.00 0.00 H new ATOM 305 N PHE A 19 8.487 4.157 1.510 1.00 0.00 N ATOM 306 CA PHE A 19 7.771 5.282 0.925 1.00 0.00 C ATOM 307 C PHE A 19 6.267 5.013 0.927 1.00 0.00 C ATOM 308 O PHE A 19 5.793 4.085 0.271 1.00 0.00 O ATOM 309 CB PHE A 19 8.277 5.537 -0.505 1.00 0.00 C ATOM 310 CG PHE A 19 7.257 6.146 -1.432 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.312 5.350 -2.062 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.248 7.510 -1.676 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.377 5.903 -2.915 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.314 8.067 -2.530 1.00 0.00 C ATOM 315 CZ PHE A 19 5.379 7.264 -3.149 1.00 0.00 C ATOM 0 H PHE A 19 8.819 3.473 0.830 1.00 0.00 H new ATOM 0 HA PHE A 19 7.957 6.173 1.524 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.144 6.195 -0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.617 4.593 -0.930 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.307 4.285 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.978 8.144 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.646 5.272 -3.398 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.317 9.131 -2.712 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.649 7.699 -3.816 1.00 0.00 H new ATOM 325 N ILE A 20 5.523 5.825 1.670 1.00 0.00 N ATOM 326 CA ILE A 20 4.079 5.670 1.753 1.00 0.00 C ATOM 327 C ILE A 20 3.372 6.918 1.240 1.00 0.00 C ATOM 328 O ILE A 20 3.561 8.013 1.770 1.00 0.00 O ATOM 329 CB ILE A 20 3.613 5.384 3.200 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.783 5.472 4.185 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.953 4.017 3.283 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.367 5.337 5.633 1.00 0.00 C ATOM 0 H ILE A 20 5.898 6.596 2.222 1.00 0.00 H new ATOM 0 HA ILE A 20 3.817 4.816 1.129 1.00 0.00 H new ATOM 0 HB ILE A 20 2.882 6.145 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.505 4.691 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.291 6.427 4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.631 3.830 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.089 3.989 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.666 3.250 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.247 5.409 6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.668 6.134 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.886 4.371 5.785 1.00 0.00 H new ATOM 344 N THR A 21 2.559 6.747 0.205 1.00 0.00 N ATOM 345 CA THR A 21 1.825 7.862 -0.378 1.00 0.00 C ATOM 346 C THR A 21 0.725 8.330 0.565 1.00 0.00 C ATOM 347 O THR A 21 -0.209 7.587 0.863 1.00 0.00 O ATOM 348 CB THR A 21 1.230 7.454 -1.724 1.00 0.00 C ATOM 349 OG1 THR A 21 0.976 6.060 -1.755 1.00 0.00 O ATOM 350 CG2 THR A 21 2.127 7.786 -2.897 1.00 0.00 C ATOM 0 H THR A 21 2.392 5.848 -0.247 1.00 0.00 H new ATOM 0 HA THR A 21 2.518 8.688 -0.535 1.00 0.00 H new ATOM 0 HB THR A 21 0.307 8.025 -1.821 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.474 5.801 -0.954 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.646 7.471 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.303 8.861 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.078 7.265 -2.786 1.00 0.00 H new ATOM 358 N ARG A 22 0.846 9.565 1.039 1.00 0.00 N ATOM 359 CA ARG A 22 -0.133 10.129 1.956 1.00 0.00 C ATOM 360 C ARG A 22 -0.998 11.167 1.255 1.00 0.00 C ATOM 361 O ARG A 22 -0.734 11.536 0.112 1.00 0.00 O ATOM 362 CB ARG A 22 0.574 10.759 3.160 1.00 0.00 C ATOM 363 CG ARG A 22 1.289 12.063 2.842 1.00 0.00 C ATOM 364 CD ARG A 22 2.206 12.486 3.977 1.00 0.00 C ATOM 365 NE ARG A 22 3.164 13.506 3.557 1.00 0.00 N ATOM 366 CZ ARG A 22 4.163 13.279 2.707 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.340 12.071 2.185 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.989 14.262 2.378 1.00 0.00 N ATOM 0 H ARG A 22 1.613 10.194 0.802 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.779 9.323 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.160 10.940 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.297 10.047 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.870 11.947 1.927 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.554 12.846 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.607 12.870 4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.745 11.615 4.351 1.00 0.00 H new ATOM 0 HE ARG A 22 3.061 14.447 3.937 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.708 11.310 2.435 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.108 11.904 1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.859 15.192 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.755 14.088 1.727 1.00 0.00 H new ATOM 493 N ASN A 31 -5.037 12.546 7.434 1.00 0.00 N ATOM 494 CA ASN A 31 -4.858 11.390 8.303 1.00 0.00 C ATOM 495 C ASN A 31 -5.221 10.095 7.579 1.00 0.00 C ATOM 496 O ASN A 31 -5.602 9.108 8.208 1.00 0.00 O ATOM 497 CB ASN A 31 -5.710 11.540 9.567 1.00 0.00 C ATOM 498 CG ASN A 31 -4.868 11.728 10.813 1.00 0.00 C ATOM 499 OD1 ASN A 31 -3.728 12.191 10.743 1.00 0.00 O ATOM 500 ND2 ASN A 31 -5.425 11.368 11.964 1.00 0.00 N ATOM 0 HA ASN A 31 -3.806 11.340 8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.379 12.393 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.337 10.657 9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.906 11.471 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.372 10.989 11.976 1.00 0.00 H new ATOM 507 N LYS A 32 -5.098 10.103 6.254 1.00 0.00 N ATOM 508 CA LYS A 32 -5.413 8.926 5.451 1.00 0.00 C ATOM 509 C LYS A 32 -4.167 8.371 4.776 1.00 0.00 C ATOM 510 O LYS A 32 -4.246 7.725 3.731 1.00 0.00 O ATOM 511 CB LYS A 32 -6.481 9.251 4.408 1.00 0.00 C ATOM 512 CG LYS A 32 -7.850 8.688 4.747 1.00 0.00 C ATOM 513 CD LYS A 32 -8.753 8.641 3.524 1.00 0.00 C ATOM 514 CE LYS A 32 -10.192 8.339 3.907 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.377 6.915 4.302 1.00 0.00 N ATOM 0 H LYS A 32 -4.783 10.910 5.715 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.804 8.162 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.558 10.333 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.165 8.859 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.740 7.684 5.158 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.315 9.300 5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.707 9.595 3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.392 7.880 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.491 8.986 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.847 8.570 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.372 6.752 4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.116 6.297 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.772 6.700 5.120 1.00 0.00 H new ATOM 529 N LEU A 33 -3.021 8.628 5.387 1.00 0.00 N ATOM 530 CA LEU A 33 -1.740 8.160 4.868 1.00 0.00 C ATOM 531 C LEU A 33 -1.834 6.693 4.444 1.00 0.00 C ATOM 532 O LEU A 33 -2.043 5.814 5.277 1.00 0.00 O ATOM 533 CB LEU A 33 -0.663 8.333 5.943 1.00 0.00 C ATOM 534 CG LEU A 33 0.791 8.390 5.450 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.724 7.804 6.497 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.960 7.661 4.124 1.00 0.00 C ATOM 0 H LEU A 33 -2.950 9.164 6.252 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.475 8.750 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.873 9.250 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.752 7.509 6.651 1.00 0.00 H new ATOM 0 HG LEU A 33 1.048 9.437 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.751 7.850 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.638 8.375 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.452 6.765 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.001 7.722 3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.678 6.615 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.322 8.124 3.371 1.00 0.00 H new ATOM 548 N GLU A 34 -1.696 6.436 3.145 1.00 0.00 N ATOM 549 CA GLU A 34 -1.787 5.071 2.633 1.00 0.00 C ATOM 550 C GLU A 34 -0.552 4.676 1.830 1.00 0.00 C ATOM 551 O GLU A 34 0.445 5.396 1.799 1.00 0.00 O ATOM 552 CB GLU A 34 -3.045 4.914 1.770 1.00 0.00 C ATOM 553 CG GLU A 34 -3.855 3.665 2.084 1.00 0.00 C ATOM 554 CD GLU A 34 -4.180 3.535 3.559 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.923 4.499 4.309 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.690 2.469 3.963 1.00 0.00 O ATOM 0 H GLU A 34 -1.523 7.147 2.434 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.847 4.404 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.679 5.790 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.753 4.892 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.783 3.685 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.299 2.785 1.759 1.00 0.00 H new ATOM 563 N PHE A 35 -0.634 3.513 1.187 1.00 0.00 N ATOM 564 CA PHE A 35 0.466 2.991 0.384 1.00 0.00 C ATOM 565 C PHE A 35 0.045 2.809 -1.079 1.00 0.00 C ATOM 566 O PHE A 35 -1.137 2.899 -1.412 1.00 0.00 O ATOM 567 CB PHE A 35 0.974 1.657 0.949 1.00 0.00 C ATOM 568 CG PHE A 35 0.641 1.422 2.401 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.671 1.239 2.811 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.646 1.384 3.354 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.973 1.023 4.143 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.350 1.168 4.686 1.00 0.00 C ATOM 573 CZ PHE A 35 0.040 0.988 5.081 1.00 0.00 C ATOM 0 H PHE A 35 -1.458 2.912 1.208 1.00 0.00 H new ATOM 0 HA PHE A 35 1.275 3.721 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.554 0.844 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.056 1.614 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.467 1.265 2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.673 1.525 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.999 0.882 4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.144 1.140 5.418 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.193 0.820 6.122 1.00 0.00 H new ATOM 583 N PRO A 36 1.022 2.561 -1.969 1.00 0.00 N ATOM 584 CA PRO A 36 0.785 2.376 -3.406 1.00 0.00 C ATOM 585 C PRO A 36 0.326 0.963 -3.780 1.00 0.00 C ATOM 586 O PRO A 36 0.421 0.032 -2.985 1.00 0.00 O ATOM 587 CB PRO A 36 2.155 2.661 -4.014 1.00 0.00 C ATOM 588 CG PRO A 36 3.125 2.220 -2.974 1.00 0.00 C ATOM 589 CD PRO A 36 2.460 2.454 -1.640 1.00 0.00 C ATOM 0 HA PRO A 36 -0.019 3.021 -3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.297 2.114 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.274 3.720 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.379 1.168 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.055 2.783 -3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.651 1.633 -0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.829 3.363 -1.164 1.00 0.00 H new ATOM 597 N GLY A 37 -0.149 0.826 -5.016 1.00 0.00 N ATOM 598 CA GLY A 37 -0.608 -0.460 -5.525 1.00 0.00 C ATOM 599 C GLY A 37 -2.121 -0.635 -5.561 1.00 0.00 C ATOM 600 O GLY A 37 -2.611 -1.629 -6.084 1.00 0.00 O ATOM 0 H GLY A 37 -0.225 1.593 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.218 -0.595 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.180 -1.251 -4.909 1.00 0.00 H new ATOM 604 N GLY A 38 -2.860 0.328 -5.035 1.00 0.00 N ATOM 605 CA GLY A 38 -4.312 0.251 -5.043 1.00 0.00 C ATOM 606 C GLY A 38 -4.900 0.150 -6.444 1.00 0.00 C ATOM 607 O GLY A 38 -4.184 0.296 -7.438 1.00 0.00 O ATOM 0 H GLY A 38 -2.481 1.169 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.627 -0.615 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.719 1.133 -4.548 1.00 0.00 H new ATOM 611 N LYS A 39 -6.213 -0.097 -6.520 1.00 0.00 N ATOM 612 CA LYS A 39 -6.917 -0.213 -7.793 1.00 0.00 C ATOM 613 C LYS A 39 -6.653 -1.558 -8.467 1.00 0.00 C ATOM 614 O LYS A 39 -7.085 -1.786 -9.597 1.00 0.00 O ATOM 615 CB LYS A 39 -6.547 0.935 -8.734 1.00 0.00 C ATOM 616 CG LYS A 39 -7.325 0.916 -10.038 1.00 0.00 C ATOM 617 CD LYS A 39 -7.986 2.258 -10.319 1.00 0.00 C ATOM 618 CE LYS A 39 -9.213 2.468 -9.446 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.918 3.338 -8.272 1.00 0.00 N ATOM 0 H LYS A 39 -6.811 -0.221 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.983 -0.153 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.724 1.883 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.481 0.886 -8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.654 0.662 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.086 0.137 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.271 3.061 -10.142 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.272 2.311 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.009 2.918 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.581 1.503 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.787 3.825 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.562 2.754 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.199 4.042 -8.534 1.00 0.00 H new ATOM 633 N ILE A 40 -5.970 -2.459 -7.765 1.00 0.00 N ATOM 634 CA ILE A 40 -5.692 -3.786 -8.308 1.00 0.00 C ATOM 635 C ILE A 40 -6.990 -4.463 -8.719 1.00 0.00 C ATOM 636 O ILE A 40 -7.023 -5.308 -9.612 1.00 0.00 O ATOM 637 CB ILE A 40 -4.932 -4.669 -7.302 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.867 -5.200 -6.204 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.785 -3.873 -6.705 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.615 -6.651 -5.850 1.00 0.00 C ATOM 0 H ILE A 40 -5.602 -2.297 -6.828 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.054 -3.658 -9.183 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.532 -5.537 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.748 -4.589 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.901 -5.088 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.244 -4.494 -5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.108 -3.559 -7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.179 -2.994 -6.195 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.309 -6.961 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.762 -7.272 -6.734 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.592 -6.766 -5.492 1.00 0.00 H new ATOM 652 N GLU A 41 -8.056 -4.053 -8.047 1.00 0.00 N ATOM 653 CA GLU A 41 -9.394 -4.563 -8.298 1.00 0.00 C ATOM 654 C GLU A 41 -9.656 -4.672 -9.792 1.00 0.00 C ATOM 655 O GLU A 41 -9.911 -5.760 -10.305 1.00 0.00 O ATOM 656 CB GLU A 41 -10.420 -3.631 -7.650 1.00 0.00 C ATOM 657 CG GLU A 41 -10.069 -2.149 -7.773 1.00 0.00 C ATOM 658 CD GLU A 41 -11.028 -1.395 -8.674 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.241 -1.388 -8.379 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.565 -0.810 -9.676 1.00 0.00 O ATOM 0 H GLU A 41 -8.015 -3.352 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.481 -5.559 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.394 -3.804 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.514 -3.886 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.074 -1.695 -6.782 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.056 -2.051 -8.163 1.00 0.00 H new ATOM 667 N MET A 42 -9.575 -3.526 -10.473 1.00 0.00 N ATOM 668 CA MET A 42 -9.781 -3.436 -11.925 1.00 0.00 C ATOM 669 C MET A 42 -10.224 -4.768 -12.537 1.00 0.00 C ATOM 670 O MET A 42 -11.408 -4.978 -12.804 1.00 0.00 O ATOM 671 CB MET A 42 -8.492 -2.957 -12.601 1.00 0.00 C ATOM 672 CG MET A 42 -8.630 -1.605 -13.278 1.00 0.00 C ATOM 673 SD MET A 42 -7.135 -0.604 -13.143 1.00 0.00 S ATOM 674 CE MET A 42 -7.767 1.012 -13.586 1.00 0.00 C ATOM 0 H MET A 42 -9.364 -2.630 -10.033 1.00 0.00 H new ATOM 0 HA MET A 42 -10.584 -2.719 -12.096 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.699 -2.902 -11.855 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.183 -3.695 -13.341 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.869 -1.753 -14.331 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.466 -1.064 -12.834 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.107 1.783 -13.188 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.814 1.099 -14.671 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.766 1.139 -13.168 1.00 0.00 H new ATOM 684 N GLY A 43 -9.263 -5.661 -12.755 1.00 0.00 N ATOM 685 CA GLY A 43 -9.567 -6.956 -13.331 1.00 0.00 C ATOM 686 C GLY A 43 -8.332 -7.799 -13.552 1.00 0.00 C ATOM 687 O GLY A 43 -8.254 -8.568 -14.510 1.00 0.00 O ATOM 0 H GLY A 43 -8.277 -5.509 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.254 -7.490 -12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.081 -6.815 -14.282 1.00 0.00 H new ATOM 691 N GLU A 44 -7.367 -7.644 -12.666 1.00 0.00 N ATOM 692 CA GLU A 44 -6.115 -8.387 -12.756 1.00 0.00 C ATOM 693 C GLU A 44 -6.213 -9.719 -12.019 1.00 0.00 C ATOM 694 O GLU A 44 -7.279 -10.091 -11.527 1.00 0.00 O ATOM 695 CB GLU A 44 -4.967 -7.554 -12.183 1.00 0.00 C ATOM 696 CG GLU A 44 -4.274 -6.681 -13.217 1.00 0.00 C ATOM 697 CD GLU A 44 -5.193 -5.618 -13.789 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.708 -4.794 -13.005 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.395 -5.611 -15.022 1.00 0.00 O ATOM 0 H GLU A 44 -7.422 -7.008 -11.870 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.918 -8.594 -13.808 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.352 -6.920 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.233 -8.223 -11.733 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.408 -6.201 -12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.901 -7.308 -14.027 1.00 0.00 H new ATOM 706 N THR A 45 -5.093 -10.435 -11.944 1.00 0.00 N ATOM 707 CA THR A 45 -5.051 -11.723 -11.266 1.00 0.00 C ATOM 708 C THR A 45 -4.520 -11.557 -9.846 1.00 0.00 C ATOM 709 O THR A 45 -3.774 -10.622 -9.565 1.00 0.00 O ATOM 710 CB THR A 45 -4.169 -12.705 -12.046 1.00 0.00 C ATOM 711 OG1 THR A 45 -3.758 -12.141 -13.279 1.00 0.00 O ATOM 712 CG2 THR A 45 -4.854 -14.018 -12.351 1.00 0.00 C ATOM 0 H THR A 45 -4.203 -10.142 -12.346 1.00 0.00 H new ATOM 0 HA THR A 45 -6.064 -12.123 -11.217 1.00 0.00 H new ATOM 0 HB THR A 45 -3.317 -12.902 -11.396 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.332 -12.832 -13.829 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.172 -14.664 -12.904 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.139 -14.505 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.745 -13.833 -12.951 1.00 0.00 H new ATOM 720 N PRO A 46 -4.889 -12.465 -8.927 1.00 0.00 N ATOM 721 CA PRO A 46 -4.440 -12.414 -7.535 1.00 0.00 C ATOM 722 C PRO A 46 -2.950 -12.103 -7.414 1.00 0.00 C ATOM 723 O PRO A 46 -2.498 -11.579 -6.395 1.00 0.00 O ATOM 724 CB PRO A 46 -4.743 -13.826 -7.001 1.00 0.00 C ATOM 725 CG PRO A 46 -5.230 -14.617 -8.175 1.00 0.00 C ATOM 726 CD PRO A 46 -5.765 -13.616 -9.155 1.00 0.00 C ATOM 0 HA PRO A 46 -4.940 -11.621 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.851 -14.279 -6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.497 -13.792 -6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.421 -15.200 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.005 -15.323 -7.876 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.704 -13.978 -10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.811 -13.377 -8.963 1.00 0.00 H new ATOM 734 N GLU A 47 -2.189 -12.429 -8.456 1.00 0.00 N ATOM 735 CA GLU A 47 -0.752 -12.182 -8.458 1.00 0.00 C ATOM 736 C GLU A 47 -0.395 -10.974 -9.323 1.00 0.00 C ATOM 737 O GLU A 47 0.464 -10.173 -8.955 1.00 0.00 O ATOM 738 CB GLU A 47 -0.004 -13.419 -8.961 1.00 0.00 C ATOM 739 CG GLU A 47 0.375 -14.391 -7.855 1.00 0.00 C ATOM 740 CD GLU A 47 1.762 -14.976 -8.044 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.621 -14.287 -8.632 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.987 -16.123 -7.605 1.00 0.00 O ATOM 0 H GLU A 47 -2.544 -12.864 -9.308 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.450 -11.967 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.625 -13.937 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.900 -13.101 -9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.328 -13.879 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.355 -15.200 -7.821 1.00 0.00 H new ATOM 749 N GLN A 48 -1.053 -10.848 -10.473 1.00 0.00 N ATOM 750 CA GLN A 48 -0.791 -9.736 -11.384 1.00 0.00 C ATOM 751 C GLN A 48 -1.507 -8.462 -10.939 1.00 0.00 C ATOM 752 O GLN A 48 -1.324 -7.403 -11.536 1.00 0.00 O ATOM 753 CB GLN A 48 -1.221 -10.104 -12.805 1.00 0.00 C ATOM 754 CG GLN A 48 -0.233 -11.010 -13.522 1.00 0.00 C ATOM 755 CD GLN A 48 -0.813 -11.621 -14.783 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.063 -12.824 -14.845 1.00 0.00 O ATOM 757 NE2 GLN A 48 -1.030 -10.791 -15.797 1.00 0.00 N ATOM 0 H GLN A 48 -1.769 -11.499 -10.796 1.00 0.00 H new ATOM 0 HA GLN A 48 0.282 -9.542 -11.368 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.192 -10.598 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.351 -9.190 -13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.660 -10.439 -13.777 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.080 -11.807 -12.847 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.808 -9.800 -15.702 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.419 -11.145 -16.671 1.00 0.00 H new ATOM 766 N ALA A 49 -2.317 -8.562 -9.891 1.00 0.00 N ATOM 767 CA ALA A 49 -3.045 -7.408 -9.383 1.00 0.00 C ATOM 768 C ALA A 49 -2.080 -6.321 -8.929 1.00 0.00 C ATOM 769 O ALA A 49 -2.133 -5.188 -9.406 1.00 0.00 O ATOM 770 CB ALA A 49 -3.954 -7.825 -8.236 1.00 0.00 C ATOM 0 H ALA A 49 -2.485 -9.428 -9.379 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.659 -7.004 -10.188 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.493 -6.954 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.667 -8.570 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.353 -8.250 -7.432 1.00 0.00 H new ATOM 776 N VAL A 50 -1.198 -6.678 -8.005 1.00 0.00 N ATOM 777 CA VAL A 50 -0.215 -5.738 -7.482 1.00 0.00 C ATOM 778 C VAL A 50 0.954 -5.556 -8.448 1.00 0.00 C ATOM 779 O VAL A 50 1.388 -4.437 -8.702 1.00 0.00 O ATOM 780 CB VAL A 50 0.329 -6.189 -6.109 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.798 -6.707 -5.229 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.417 -7.243 -6.274 1.00 0.00 C ATOM 0 H VAL A 50 -1.143 -7.613 -7.602 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.731 -4.785 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 50 0.773 -5.323 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.394 -7.020 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.532 -5.916 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.277 -7.557 -5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.784 -7.544 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.007 -8.111 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.239 -6.829 -6.857 1.00 0.00 H new ATOM 792 N VAL A 51 1.470 -6.668 -8.966 1.00 0.00 N ATOM 793 CA VAL A 51 2.600 -6.633 -9.885 1.00 0.00 C ATOM 794 C VAL A 51 2.300 -5.757 -11.089 1.00 0.00 C ATOM 795 O VAL A 51 3.177 -5.054 -11.591 1.00 0.00 O ATOM 796 CB VAL A 51 2.982 -8.048 -10.364 1.00 0.00 C ATOM 797 CG1 VAL A 51 4.254 -8.010 -11.197 1.00 0.00 C ATOM 798 CG2 VAL A 51 3.141 -8.990 -9.178 1.00 0.00 C ATOM 0 H VAL A 51 1.121 -7.605 -8.763 1.00 0.00 H new ATOM 0 HA VAL A 51 3.442 -6.210 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 51 2.176 -8.425 -10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.505 -9.019 -11.524 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.099 -7.374 -12.068 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.071 -7.610 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.411 -9.984 -9.536 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.925 -8.617 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.201 -9.045 -8.629 1.00 0.00 H new ATOM 808 N ARG A 52 1.056 -5.791 -11.548 1.00 0.00 N ATOM 809 CA ARG A 52 0.658 -4.983 -12.687 1.00 0.00 C ATOM 810 C ARG A 52 0.445 -3.540 -12.258 1.00 0.00 C ATOM 811 O ARG A 52 0.982 -2.612 -12.865 1.00 0.00 O ATOM 812 CB ARG A 52 -0.612 -5.537 -13.334 1.00 0.00 C ATOM 813 CG ARG A 52 -0.923 -4.921 -14.689 1.00 0.00 C ATOM 814 CD ARG A 52 -2.281 -4.236 -14.695 1.00 0.00 C ATOM 815 NE ARG A 52 -2.169 -2.795 -14.483 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.815 -1.931 -15.432 1.00 0.00 C ATOM 817 NH1 ARG A 52 -1.539 -2.357 -16.658 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.739 -0.636 -15.155 1.00 0.00 N ATOM 0 H ARG A 52 0.312 -6.365 -11.151 1.00 0.00 H new ATOM 0 HA ARG A 52 1.458 -5.018 -13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.510 -6.616 -13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.455 -5.366 -12.664 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.149 -4.198 -14.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.903 -5.696 -15.455 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.778 -4.425 -15.647 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.909 -4.669 -13.916 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.374 -2.429 -13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.598 -3.351 -16.878 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.268 -1.690 -17.381 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.952 -0.302 -14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.468 0.026 -15.882 1.00 0.00 H new ATOM 832 N GLU A 53 -0.327 -3.357 -11.192 1.00 0.00 N ATOM 833 CA GLU A 53 -0.594 -2.028 -10.665 1.00 0.00 C ATOM 834 C GLU A 53 0.689 -1.404 -10.126 1.00 0.00 C ATOM 835 O GLU A 53 0.782 -0.187 -9.973 1.00 0.00 O ATOM 836 CB GLU A 53 -1.644 -2.096 -9.556 1.00 0.00 C ATOM 837 CG GLU A 53 -3.064 -2.267 -10.067 1.00 0.00 C ATOM 838 CD GLU A 53 -3.547 -1.073 -10.865 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.058 -0.876 -11.998 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.418 -0.335 -10.358 1.00 0.00 O ATOM 0 H GLU A 53 -0.778 -4.114 -10.678 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.976 -1.407 -11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.404 -2.926 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.589 -1.185 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.116 -3.160 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.733 -2.428 -9.222 1.00 0.00 H new ATOM 847 N LEU A 54 1.677 -2.249 -9.840 1.00 0.00 N ATOM 848 CA LEU A 54 2.955 -1.787 -9.317 1.00 0.00 C ATOM 849 C LEU A 54 3.580 -0.766 -10.259 1.00 0.00 C ATOM 850 O LEU A 54 4.069 0.275 -9.827 1.00 0.00 O ATOM 851 CB LEU A 54 3.906 -2.970 -9.120 1.00 0.00 C ATOM 852 CG LEU A 54 5.262 -2.607 -8.526 1.00 0.00 C ATOM 853 CD1 LEU A 54 5.193 -2.588 -7.009 1.00 0.00 C ATOM 854 CD2 LEU A 54 6.340 -3.569 -9.005 1.00 0.00 C ATOM 0 H LEU A 54 1.614 -3.260 -9.963 1.00 0.00 H new ATOM 0 HA LEU A 54 2.780 -1.310 -8.353 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.424 -3.701 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.065 -3.455 -10.083 1.00 0.00 H new ATOM 0 HG LEU A 54 5.527 -1.607 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.171 -2.327 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.458 -1.850 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.901 -3.573 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.298 -3.289 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.084 -4.584 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.411 -3.524 -10.092 1.00 0.00 H new ATOM 866 N GLN A 55 3.543 -1.065 -11.551 1.00 0.00 N ATOM 867 CA GLN A 55 4.091 -0.164 -12.554 1.00 0.00 C ATOM 868 C GLN A 55 3.224 1.085 -12.665 1.00 0.00 C ATOM 869 O GLN A 55 3.714 2.177 -12.953 1.00 0.00 O ATOM 870 CB GLN A 55 4.177 -0.871 -13.910 1.00 0.00 C ATOM 871 CG GLN A 55 5.603 -1.118 -14.376 1.00 0.00 C ATOM 872 CD GLN A 55 5.999 -2.578 -14.294 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.860 -3.327 -15.261 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.497 -2.992 -13.134 1.00 0.00 N ATOM 0 H GLN A 55 3.140 -1.923 -11.928 1.00 0.00 H new ATOM 0 HA GLN A 55 5.095 0.131 -12.250 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.653 -1.825 -13.847 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.658 -0.271 -14.657 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.710 -0.774 -15.405 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.287 -0.525 -13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.595 -2.337 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.781 -3.965 -13.019 1.00 0.00 H new ATOM 883 N GLU A 56 1.928 0.907 -12.431 1.00 0.00 N ATOM 884 CA GLU A 56 0.971 2.004 -12.498 1.00 0.00 C ATOM 885 C GLU A 56 1.037 2.880 -11.257 1.00 0.00 C ATOM 886 O GLU A 56 0.760 4.077 -11.320 1.00 0.00 O ATOM 887 CB GLU A 56 -0.445 1.452 -12.641 1.00 0.00 C ATOM 888 CG GLU A 56 -1.418 2.421 -13.295 1.00 0.00 C ATOM 889 CD GLU A 56 -2.784 2.408 -12.636 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.885 1.940 -11.482 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.754 2.868 -13.275 1.00 0.00 O ATOM 0 H GLU A 56 1.515 0.006 -12.192 1.00 0.00 H new ATOM 0 HA GLU A 56 1.228 2.612 -13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.410 0.535 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.822 1.184 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.006 3.429 -13.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.525 2.167 -14.350 1.00 0.00 H new ATOM 898 N GLU A 57 1.376 2.279 -10.121 1.00 0.00 N ATOM 899 CA GLU A 57 1.439 3.021 -8.871 1.00 0.00 C ATOM 900 C GLU A 57 2.875 3.239 -8.393 1.00 0.00 C ATOM 901 O GLU A 57 3.098 3.784 -7.312 1.00 0.00 O ATOM 902 CB GLU A 57 0.624 2.313 -7.792 1.00 0.00 C ATOM 903 CG GLU A 57 -0.793 2.850 -7.670 1.00 0.00 C ATOM 904 CD GLU A 57 -1.727 2.268 -8.710 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.696 1.036 -8.909 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.487 3.043 -9.325 1.00 0.00 O ATOM 0 H GLU A 57 1.609 1.289 -10.042 1.00 0.00 H new ATOM 0 HA GLU A 57 1.011 4.005 -9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.585 1.247 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.131 2.420 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.178 2.626 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.776 3.935 -7.769 1.00 0.00 H new ATOM 913 N VAL A 58 3.843 2.837 -9.209 1.00 0.00 N ATOM 914 CA VAL A 58 5.248 3.020 -8.873 1.00 0.00 C ATOM 915 C VAL A 58 6.005 3.565 -10.074 1.00 0.00 C ATOM 916 O VAL A 58 6.809 4.489 -9.953 1.00 0.00 O ATOM 917 CB VAL A 58 5.904 1.707 -8.407 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.286 1.976 -7.830 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.021 0.999 -7.389 1.00 0.00 C ATOM 0 H VAL A 58 3.679 2.383 -10.107 1.00 0.00 H new ATOM 0 HA VAL A 58 5.295 3.732 -8.049 1.00 0.00 H new ATOM 0 HB VAL A 58 6.017 1.053 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.734 1.037 -7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.916 2.435 -8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.200 2.650 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.502 0.073 -7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.872 1.646 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.056 0.770 -7.841 1.00 0.00 H new ATOM 929 N GLY A 59 5.723 2.992 -11.239 1.00 0.00 N ATOM 930 CA GLY A 59 6.356 3.430 -12.469 1.00 0.00 C ATOM 931 C GLY A 59 7.835 3.112 -12.554 1.00 0.00 C ATOM 932 O GLY A 59 8.341 2.760 -13.619 1.00 0.00 O ATOM 0 H GLY A 59 5.061 2.225 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.847 2.964 -13.312 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.221 4.507 -12.570 1.00 0.00 H new ATOM 936 N ILE A 60 8.525 3.240 -11.439 1.00 0.00 N ATOM 937 CA ILE A 60 9.956 2.971 -11.390 1.00 0.00 C ATOM 938 C ILE A 60 10.217 1.468 -11.353 1.00 0.00 C ATOM 939 O ILE A 60 9.281 0.671 -11.411 1.00 0.00 O ATOM 940 CB ILE A 60 10.617 3.661 -10.160 1.00 0.00 C ATOM 941 CG1 ILE A 60 12.113 3.936 -10.391 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.425 2.828 -8.899 1.00 0.00 C ATOM 943 CD1 ILE A 60 12.497 4.162 -11.839 1.00 0.00 C ATOM 0 H ILE A 60 8.120 3.530 -10.549 1.00 0.00 H new ATOM 0 HA ILE A 60 10.404 3.385 -12.294 1.00 0.00 H new ATOM 0 HB ILE A 60 10.118 4.621 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 60 12.401 4.813 -9.811 1.00 0.00 H new ATOM 0 HG13 ILE A 60 12.688 3.095 -10.004 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.896 3.332 -8.055 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.360 2.707 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.882 1.848 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.569 4.348 -11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 60 12.245 3.278 -12.425 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.954 5.023 -12.229 1.00 0.00 H new ATOM 955 N THR A 61 11.487 1.088 -11.268 1.00 0.00 N ATOM 956 CA THR A 61 11.869 -0.303 -11.228 1.00 0.00 C ATOM 957 C THR A 61 12.385 -0.663 -9.839 1.00 0.00 C ATOM 958 O THR A 61 13.576 -0.528 -9.557 1.00 0.00 O ATOM 959 CB THR A 61 12.958 -0.529 -12.261 1.00 0.00 C ATOM 960 OG1 THR A 61 13.751 0.636 -12.410 1.00 0.00 O ATOM 961 CG2 THR A 61 12.419 -0.892 -13.626 1.00 0.00 C ATOM 0 H THR A 61 12.271 1.739 -11.226 1.00 0.00 H new ATOM 0 HA THR A 61 11.008 -0.933 -11.449 1.00 0.00 H new ATOM 0 HB THR A 61 13.547 -1.366 -11.886 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.663 0.453 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.249 -1.040 -14.317 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.838 -1.811 -13.555 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.782 -0.087 -13.991 1.00 0.00 H new ATOM 969 N PRO A 62 11.487 -1.083 -8.934 1.00 0.00 N ATOM 970 CA PRO A 62 11.826 -1.411 -7.566 1.00 0.00 C ATOM 971 C PRO A 62 11.780 -2.897 -7.258 1.00 0.00 C ATOM 972 O PRO A 62 10.887 -3.602 -7.729 1.00 0.00 O ATOM 973 CB PRO A 62 10.666 -0.726 -6.852 1.00 0.00 C ATOM 974 CG PRO A 62 9.490 -1.019 -7.732 1.00 0.00 C ATOM 975 CD PRO A 62 10.037 -1.216 -9.132 1.00 0.00 C ATOM 0 HA PRO A 62 12.839 -1.112 -7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.523 -1.122 -5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.834 0.346 -6.751 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.964 -1.911 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.773 -0.198 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.772 -2.193 -9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.653 -0.468 -9.826 1.00 0.00 H new ATOM 983 N GLN A 63 12.693 -3.364 -6.407 1.00 0.00 N ATOM 984 CA GLN A 63 12.652 -4.755 -6.004 1.00 0.00 C ATOM 985 C GLN A 63 11.499 -4.868 -5.029 1.00 0.00 C ATOM 986 O GLN A 63 11.669 -4.837 -3.811 1.00 0.00 O ATOM 987 CB GLN A 63 13.965 -5.188 -5.355 1.00 0.00 C ATOM 988 CG GLN A 63 15.187 -4.677 -6.096 1.00 0.00 C ATOM 989 CD GLN A 63 16.500 -5.142 -5.488 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.487 -5.332 -6.199 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.527 -5.330 -4.172 1.00 0.00 N ATOM 0 H GLN A 63 13.447 -2.812 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 63 12.514 -5.410 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.993 -4.827 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.001 -6.277 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.138 -5.008 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.166 -3.587 -6.108 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.689 -5.162 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.386 -5.642 -3.719 1.00 0.00 H new ATOM 1000 N HIS A 64 10.319 -4.930 -5.611 1.00 0.00 N ATOM 1001 CA HIS A 64 9.071 -4.972 -4.872 1.00 0.00 C ATOM 1002 C HIS A 64 8.284 -6.205 -5.260 1.00 0.00 C ATOM 1003 O HIS A 64 7.987 -6.410 -6.437 1.00 0.00 O ATOM 1004 CB HIS A 64 8.300 -3.692 -5.210 1.00 0.00 C ATOM 1005 CG HIS A 64 6.900 -3.597 -4.664 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.041 -4.673 -4.537 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.206 -2.518 -4.228 1.00 0.00 C ATOM 1008 CE1 HIS A 64 4.886 -4.257 -4.048 1.00 0.00 C ATOM 1009 NE2 HIS A 64 4.961 -2.955 -3.850 1.00 0.00 N ATOM 0 H HIS A 64 10.197 -4.953 -6.623 1.00 0.00 H new ATOM 0 HA HIS A 64 9.249 -5.026 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.871 -2.840 -4.840 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.252 -3.597 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.566 -1.501 -4.186 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.026 -4.878 -3.845 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.215 -2.368 -3.477 1.00 0.00 H new ATOM 1018 N PHE A 65 7.962 -7.042 -4.278 1.00 0.00 N ATOM 1019 CA PHE A 65 7.233 -8.266 -4.563 1.00 0.00 C ATOM 1020 C PHE A 65 6.951 -9.077 -3.299 1.00 0.00 C ATOM 1021 O PHE A 65 7.602 -8.897 -2.272 1.00 0.00 O ATOM 1022 CB PHE A 65 8.063 -9.098 -5.525 1.00 0.00 C ATOM 1023 CG PHE A 65 7.295 -10.192 -6.208 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.038 -9.946 -6.736 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.833 -11.464 -6.331 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.330 -10.946 -7.372 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.127 -12.469 -6.967 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.874 -12.209 -7.489 1.00 0.00 C ATOM 0 H PHE A 65 8.191 -6.896 -3.295 1.00 0.00 H new ATOM 0 HA PHE A 65 6.269 -8.002 -4.998 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.490 -8.441 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.897 -9.540 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.607 -8.960 -6.649 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.813 -11.672 -5.926 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.351 -10.740 -7.778 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.555 -13.457 -7.056 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.322 -12.992 -7.987 1.00 0.00 H new ATOM 1038 N SER A 66 5.977 -9.982 -3.398 1.00 0.00 N ATOM 1039 CA SER A 66 5.592 -10.844 -2.279 1.00 0.00 C ATOM 1040 C SER A 66 4.748 -10.074 -1.268 1.00 0.00 C ATOM 1041 O SER A 66 4.662 -8.849 -1.330 1.00 0.00 O ATOM 1042 CB SER A 66 6.827 -11.444 -1.599 1.00 0.00 C ATOM 1043 OG SER A 66 6.464 -12.493 -0.719 1.00 0.00 O ATOM 0 H SER A 66 5.436 -10.138 -4.249 1.00 0.00 H new ATOM 0 HA SER A 66 4.991 -11.662 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.515 -11.821 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.355 -10.667 -1.046 1.00 0.00 H new ATOM 0 HG SER A 66 7.270 -12.964 -0.422 1.00 0.00 H new ATOM 1049 N LEU A 67 4.113 -10.797 -0.350 1.00 0.00 N ATOM 1050 CA LEU A 67 3.263 -10.171 0.658 1.00 0.00 C ATOM 1051 C LEU A 67 3.758 -10.450 2.073 1.00 0.00 C ATOM 1052 O LEU A 67 4.005 -11.600 2.437 1.00 0.00 O ATOM 1053 CB LEU A 67 1.819 -10.659 0.507 1.00 0.00 C ATOM 1054 CG LEU A 67 1.571 -12.103 0.954 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.967 -12.134 2.349 1.00 0.00 C ATOM 1056 CD2 LEU A 67 0.666 -12.821 -0.038 1.00 0.00 C ATOM 0 H LEU A 67 4.170 -11.813 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 67 3.304 -9.094 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.167 -10.000 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.527 -10.564 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 67 2.528 -12.623 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.798 -13.168 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.651 -11.659 3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.018 -11.597 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.501 -13.845 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.290 -12.301 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.139 -12.831 -1.020 1.00 0.00 H new ATOM 1068 N PHE A 68 3.884 -9.393 2.877 1.00 0.00 N ATOM 1069 CA PHE A 68 4.328 -9.547 4.255 1.00 0.00 C ATOM 1070 C PHE A 68 3.169 -10.048 5.119 1.00 0.00 C ATOM 1071 O PHE A 68 3.339 -10.933 5.956 1.00 0.00 O ATOM 1072 CB PHE A 68 4.914 -8.235 4.801 1.00 0.00 C ATOM 1073 CG PHE A 68 3.905 -7.170 5.124 1.00 0.00 C ATOM 1074 CD1 PHE A 68 3.107 -7.273 6.249 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.772 -6.053 4.316 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.197 -6.285 6.564 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.859 -5.062 4.623 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.072 -5.178 5.751 1.00 0.00 C ATOM 0 H PHE A 68 3.686 -8.432 2.598 1.00 0.00 H new ATOM 0 HA PHE A 68 5.127 -10.288 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.485 -8.458 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.617 -7.837 4.069 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.197 -8.138 6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.389 -5.955 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.583 -6.378 7.447 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.761 -4.199 3.982 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.360 -4.404 5.996 1.00 0.00 H new ATOM 1088 N GLU A 69 1.984 -9.492 4.872 1.00 0.00 N ATOM 1089 CA GLU A 69 0.763 -9.883 5.575 1.00 0.00 C ATOM 1090 C GLU A 69 -0.435 -9.218 4.912 1.00 0.00 C ATOM 1091 O GLU A 69 -0.409 -8.022 4.641 1.00 0.00 O ATOM 1092 CB GLU A 69 0.819 -9.508 7.059 1.00 0.00 C ATOM 1093 CG GLU A 69 1.189 -10.669 7.964 1.00 0.00 C ATOM 1094 CD GLU A 69 2.020 -10.239 9.156 1.00 0.00 C ATOM 1095 OE1 GLU A 69 3.166 -9.787 8.950 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.525 -10.353 10.297 1.00 0.00 O ATOM 0 H GLU A 69 1.843 -8.757 4.179 1.00 0.00 H new ATOM 0 HA GLU A 69 0.666 -10.967 5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.544 -8.706 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.151 -9.116 7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.279 -11.154 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.743 -11.411 7.389 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.475 -9.994 4.634 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.662 -9.454 3.980 1.00 0.00 C ATOM 1105 C LYS A 70 -3.943 -10.028 4.583 1.00 0.00 C ATOM 1106 O LYS A 70 -4.066 -11.239 4.765 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.618 -9.757 2.481 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.461 -11.235 2.164 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.594 -11.503 0.674 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.760 -12.987 0.387 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.918 -13.257 -1.069 1.00 0.00 N ATOM 0 H LYS A 70 -1.522 -10.990 4.848 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.666 -8.375 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.534 -9.390 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.791 -9.208 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.488 -11.581 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.215 -11.806 2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.451 -10.957 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.712 -11.128 0.156 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.893 -13.529 0.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.631 -13.365 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.648 -13.984 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.202 -12.383 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.015 -13.593 -1.460 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.900 -9.151 4.880 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.177 -9.577 5.451 1.00 0.00 C ATOM 1127 C LEU A 71 -7.346 -9.109 4.587 1.00 0.00 C ATOM 1128 O LEU A 71 -7.260 -8.089 3.905 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.331 -9.069 6.894 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.728 -7.595 7.062 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.849 -6.693 6.214 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -8.198 -7.380 6.725 1.00 0.00 C ATOM 0 H LEU A 71 -4.817 -8.145 4.736 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.186 -10.667 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.080 -9.683 7.394 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.387 -9.230 7.415 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.578 -7.331 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.152 -5.655 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.808 -6.810 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.955 -6.965 5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.450 -6.327 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.381 -7.674 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.816 -7.985 7.389 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.439 -9.864 4.620 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.624 -9.532 3.843 1.00 0.00 C ATOM 1146 C GLU A 72 -10.837 -9.357 4.754 1.00 0.00 C ATOM 1147 O GLU A 72 -11.085 -10.175 5.641 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.888 -10.629 2.803 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.314 -10.656 2.279 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.468 -11.526 1.047 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.449 -11.792 0.378 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.609 -11.941 0.752 1.00 0.00 O ATOM 0 H GLU A 72 -8.527 -10.713 5.179 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.451 -8.588 3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.206 -10.491 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.656 -11.598 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.978 -11.022 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.629 -9.640 2.043 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.592 -8.287 4.524 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.782 -8.003 5.317 1.00 0.00 C ATOM 1161 C TYR A 73 -13.898 -7.457 4.432 1.00 0.00 C ATOM 1162 O TYR A 73 -13.639 -6.745 3.464 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.456 -7.001 6.426 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.026 -5.645 5.912 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.872 -5.503 5.152 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.775 -4.508 6.187 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.476 -4.265 4.681 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.386 -3.267 5.719 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.237 -3.152 4.967 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.846 -1.917 4.499 1.00 0.00 O ATOM 0 H TYR A 73 -11.400 -7.602 3.793 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.121 -8.934 5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.333 -6.878 7.062 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.663 -7.411 7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.275 -6.374 4.925 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.676 -4.595 6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.575 -4.171 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.979 -2.392 5.941 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.492 -1.238 4.787 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.139 -7.795 4.768 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.286 -7.332 3.994 1.00 0.00 C ATOM 1182 C GLU A 74 -17.251 -6.528 4.858 1.00 0.00 C ATOM 1183 O GLU A 74 -17.706 -6.992 5.903 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.022 -8.511 3.351 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.214 -9.695 4.284 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.414 -10.999 3.536 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.133 -10.994 2.516 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.848 -12.024 3.970 1.00 0.00 O ATOM 0 H GLU A 74 -15.376 -8.384 5.566 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.905 -6.681 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.998 -8.172 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.466 -8.839 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.345 -9.784 4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.076 -9.512 4.925 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.560 -5.324 4.400 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.470 -4.436 5.098 1.00 0.00 C ATOM 1197 C PHE A 75 -19.915 -4.731 4.693 1.00 0.00 C ATOM 1198 O PHE A 75 -20.156 -5.383 3.679 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.118 -2.983 4.782 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.265 -2.314 5.828 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.477 -2.549 7.179 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.252 -1.446 5.455 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.692 -1.932 8.135 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.465 -0.826 6.407 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.685 -1.068 7.749 1.00 0.00 C ATOM 0 H PHE A 75 -17.185 -4.937 3.534 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.372 -4.600 6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.596 -2.947 3.826 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.041 -2.415 4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.264 -3.221 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.075 -1.251 4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.866 -2.125 9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.678 -0.152 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.072 -0.583 8.494 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.894 -4.255 5.483 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.316 -4.469 5.202 1.00 0.00 C ATOM 1217 C PRO A 76 -22.699 -4.017 3.798 1.00 0.00 C ATOM 1218 O PRO A 76 -23.205 -2.912 3.605 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.039 -3.621 6.259 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.994 -2.730 6.841 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.693 -3.464 6.698 1.00 0.00 C ATOM 0 HA PRO A 76 -22.580 -5.526 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.845 -3.040 5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.489 -4.251 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.962 -1.774 6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.206 -2.513 7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.851 -2.778 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.489 -4.096 7.562 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.444 -4.892 2.828 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.743 -4.632 1.414 1.00 0.00 C ATOM 1231 C ASP A 77 -21.536 -4.041 0.685 1.00 0.00 C ATOM 1232 O ASP A 77 -21.650 -3.602 -0.459 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.951 -3.701 1.260 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.741 -3.982 -0.003 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.340 -3.484 -1.077 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.760 -4.700 0.080 1.00 0.00 O ATOM 0 H ASP A 77 -22.023 -5.806 2.997 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.984 -5.593 0.960 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.604 -3.812 2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.609 -2.666 1.249 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.381 -4.038 1.345 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.161 -3.507 0.746 1.00 0.00 C ATOM 1243 C ARG A 78 -17.972 -4.417 1.043 1.00 0.00 C ATOM 1244 O ARG A 78 -17.327 -4.289 2.082 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.883 -2.097 1.270 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.829 -1.347 0.472 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.557 0.028 1.061 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.139 0.377 1.009 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.536 0.872 -0.070 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.219 1.071 -1.190 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.243 1.166 -0.029 1.00 0.00 N ATOM 0 H ARG A 78 -20.265 -4.397 2.293 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.303 -3.463 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.811 -1.525 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.562 -2.162 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.905 -1.925 0.454 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.160 -1.242 -0.561 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.134 0.776 0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.898 0.053 2.096 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.578 0.233 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.213 0.844 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.750 1.451 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.712 1.013 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.780 1.545 -0.855 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.686 -5.334 0.124 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.575 -6.262 0.295 1.00 0.00 C ATOM 1267 C HIS A 79 -15.257 -5.615 -0.116 1.00 0.00 C ATOM 1268 O HIS A 79 -14.959 -5.495 -1.304 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.811 -7.532 -0.525 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.988 -8.333 -0.062 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.902 -7.864 0.859 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -18.400 -9.578 -0.397 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.823 -8.787 1.070 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -19.542 -9.836 0.319 1.00 0.00 N ATOM 0 H HIS A 79 -18.207 -5.454 -0.745 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.516 -6.526 1.351 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.957 -7.258 -1.570 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.918 -8.155 -0.480 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.919 -10.245 -1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.663 -8.699 1.743 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -20.085 -10.698 0.278 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.474 -5.197 0.872 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.194 -4.563 0.612 1.00 0.00 C ATOM 1285 C ILE A 80 -12.039 -5.506 0.940 1.00 0.00 C ATOM 1286 O ILE A 80 -11.793 -5.824 2.102 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.046 -3.261 1.430 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.609 -2.751 1.370 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.469 -3.485 2.874 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.494 -1.245 1.458 1.00 0.00 C ATOM 0 H ILE A 80 -14.707 -5.288 1.861 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.160 -4.320 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.699 -2.506 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.040 -3.198 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.152 -3.088 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.358 -2.557 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.511 -3.803 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.842 -4.256 3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.444 -0.957 1.409 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.035 -0.790 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.921 -0.902 2.401 1.00 0.00 H new ATOM 1302 N THR A 81 -11.327 -5.942 -0.094 1.00 0.00 N ATOM 1303 CA THR A 81 -10.191 -6.836 0.082 1.00 0.00 C ATOM 1304 C THR A 81 -8.906 -6.028 0.205 1.00 0.00 C ATOM 1305 O THR A 81 -8.533 -5.303 -0.716 1.00 0.00 O ATOM 1306 CB THR A 81 -10.094 -7.802 -1.101 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.940 -7.388 -2.157 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.471 -9.223 -0.748 1.00 0.00 C ATOM 0 H THR A 81 -11.518 -5.690 -1.064 1.00 0.00 H new ATOM 0 HA THR A 81 -10.334 -7.413 0.996 1.00 0.00 H new ATOM 0 HB THR A 81 -9.046 -7.784 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.487 -8.145 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.380 -9.854 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.805 -9.593 0.032 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.500 -9.248 -0.389 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.230 -6.144 1.343 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.995 -5.402 1.559 1.00 0.00 C ATOM 1318 C LEU A 82 -5.778 -6.316 1.517 1.00 0.00 C ATOM 1319 O LEU A 82 -5.599 -7.171 2.382 1.00 0.00 O ATOM 1320 CB LEU A 82 -7.044 -4.674 2.901 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.860 -3.748 3.174 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.035 -2.435 2.430 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.705 -3.502 4.665 1.00 0.00 C ATOM 0 H LEU A 82 -8.513 -6.738 2.122 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.903 -4.675 0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.962 -4.089 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.098 -5.415 3.698 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.952 -4.232 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.184 -1.785 2.634 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.095 -2.629 1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.952 -1.948 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.856 -2.840 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.612 -3.039 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.535 -4.451 5.175 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.935 -6.116 0.510 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.726 -6.913 0.366 1.00 0.00 C ATOM 1337 C TRP A 83 -2.495 -6.056 0.597 1.00 0.00 C ATOM 1338 O TRP A 83 -2.277 -5.063 -0.094 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.651 -7.547 -1.026 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.765 -8.505 -1.306 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -6.055 -8.394 -0.888 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.690 -9.720 -2.063 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.793 -9.459 -1.338 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.977 -10.289 -2.061 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.662 -10.380 -2.740 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.263 -11.487 -2.712 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.946 -11.568 -3.386 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -5.237 -12.111 -3.368 1.00 0.00 C ATOM 0 H TRP A 83 -5.067 -5.411 -0.215 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.759 -7.706 1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.664 -6.757 -1.777 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.699 -8.069 -1.128 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.442 -7.584 -0.288 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.787 -9.609 -1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.663 -9.969 -2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -7.258 -11.908 -2.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -3.159 -12.087 -3.914 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.427 -13.041 -3.883 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.685 -6.455 1.563 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.460 -5.730 1.876 1.00 0.00 C ATOM 1361 C PHE A 84 0.752 -6.554 1.458 1.00 0.00 C ATOM 1362 O PHE A 84 1.042 -7.597 2.044 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.406 -5.379 3.369 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.151 -4.111 3.726 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.988 -3.494 2.805 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -1.020 -3.538 4.986 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.673 -2.341 3.130 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.706 -2.385 5.314 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.533 -1.786 4.386 1.00 0.00 C ATOM 0 H PHE A 84 -1.851 -7.276 2.145 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.448 -4.794 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.822 -6.207 3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.636 -5.274 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.104 -3.923 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.374 -4.000 5.717 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.319 -1.873 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.595 -1.952 6.297 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.070 -0.884 4.642 1.00 0.00 H new ATOM 1379 N TRP A 85 1.433 -6.095 0.411 1.00 0.00 N ATOM 1380 CA TRP A 85 2.591 -6.801 -0.126 1.00 0.00 C ATOM 1381 C TRP A 85 3.911 -6.264 0.420 1.00 0.00 C ATOM 1382 O TRP A 85 4.041 -5.076 0.716 1.00 0.00 O ATOM 1383 CB TRP A 85 2.586 -6.723 -1.653 1.00 0.00 C ATOM 1384 CG TRP A 85 1.504 -7.548 -2.277 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.159 -7.358 -2.154 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.673 -8.698 -3.113 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.520 -8.316 -2.866 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.387 -9.152 -3.463 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.786 -9.389 -3.602 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.185 -10.262 -4.279 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.584 -10.491 -4.412 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.292 -10.918 -4.744 1.00 0.00 C ATOM 0 H TRP A 85 1.201 -5.234 -0.083 1.00 0.00 H new ATOM 0 HA TRP A 85 2.512 -7.840 0.194 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.464 -5.684 -1.958 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.553 -7.055 -2.031 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.304 -6.569 -1.580 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.535 -8.393 -2.939 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.786 -9.067 -3.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.810 -10.593 -4.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.437 -11.032 -4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.167 -11.782 -5.380 1.00 0.00 H new ATOM 1403 N LEU A 86 4.893 -7.157 0.537 1.00 0.00 N ATOM 1404 CA LEU A 86 6.214 -6.798 1.029 1.00 0.00 C ATOM 1405 C LEU A 86 7.099 -6.315 -0.121 1.00 0.00 C ATOM 1406 O LEU A 86 7.079 -6.881 -1.210 1.00 0.00 O ATOM 1407 CB LEU A 86 6.862 -7.991 1.735 1.00 0.00 C ATOM 1408 CG LEU A 86 7.473 -9.045 0.810 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.923 -8.707 0.500 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.368 -10.428 1.436 1.00 0.00 C ATOM 0 H LEU A 86 4.792 -8.143 0.294 1.00 0.00 H new ATOM 0 HA LEU A 86 6.107 -5.986 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.642 -7.619 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.112 -8.473 2.362 1.00 0.00 H new ATOM 0 HG LEU A 86 6.914 -9.048 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.341 -9.468 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.973 -7.735 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.496 -8.676 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.807 -11.166 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.902 -10.439 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.319 -10.672 1.606 1.00 0.00 H new ATOM 1422 N VAL A 87 7.856 -5.259 0.127 1.00 0.00 N ATOM 1423 CA VAL A 87 8.741 -4.681 -0.883 1.00 0.00 C ATOM 1424 C VAL A 87 10.162 -4.630 -0.390 1.00 0.00 C ATOM 1425 O VAL A 87 10.398 -4.442 0.803 1.00 0.00 O ATOM 1426 CB VAL A 87 8.326 -3.265 -1.241 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.098 -2.759 -2.450 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.828 -3.218 -1.480 1.00 0.00 C ATOM 0 H VAL A 87 7.878 -4.778 1.026 1.00 0.00 H new ATOM 0 HA VAL A 87 8.667 -5.322 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 87 8.566 -2.604 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.781 -1.743 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.165 -2.764 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.901 -3.407 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.532 -2.201 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.569 -3.889 -2.299 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.305 -3.531 -0.576 1.00 0.00 H new ATOM 1438 N GLU A 88 11.118 -4.819 -1.287 1.00 0.00 N ATOM 1439 CA GLU A 88 12.505 -4.802 -0.864 1.00 0.00 C ATOM 1440 C GLU A 88 13.296 -3.567 -1.325 1.00 0.00 C ATOM 1441 O GLU A 88 14.232 -3.161 -0.635 1.00 0.00 O ATOM 1442 CB GLU A 88 13.222 -6.074 -1.324 1.00 0.00 C ATOM 1443 CG GLU A 88 12.323 -7.300 -1.382 1.00 0.00 C ATOM 1444 CD GLU A 88 13.098 -8.581 -1.625 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.243 -8.498 -2.117 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.559 -9.666 -1.323 1.00 0.00 O ATOM 0 H GLU A 88 10.965 -4.981 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 88 12.473 -4.754 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.649 -5.902 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.053 -6.276 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.771 -7.386 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.587 -7.169 -2.175 1.00 0.00 H new ATOM 1453 N ARG A 89 12.968 -2.975 -2.477 1.00 0.00 N ATOM 1454 CA ARG A 89 13.731 -1.814 -2.942 1.00 0.00 C ATOM 1455 C ARG A 89 12.989 -1.035 -4.024 1.00 0.00 C ATOM 1456 O ARG A 89 12.044 -1.541 -4.624 1.00 0.00 O ATOM 1457 CB ARG A 89 15.115 -2.283 -3.438 1.00 0.00 C ATOM 1458 CG ARG A 89 15.644 -1.587 -4.693 1.00 0.00 C ATOM 1459 CD ARG A 89 16.417 -0.321 -4.354 1.00 0.00 C ATOM 1460 NE ARG A 89 17.775 -0.348 -4.893 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.802 -0.949 -4.296 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.634 -1.578 -3.139 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.002 -0.923 -4.860 1.00 0.00 N ATOM 0 H ARG A 89 12.205 -3.268 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 89 13.860 -1.127 -2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.836 -2.138 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.066 -3.354 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.290 -2.271 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.810 -1.339 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.887 0.545 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.459 -0.201 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 89 17.947 0.123 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.713 -1.603 -2.701 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.426 -2.036 -2.688 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.137 -0.443 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.790 -1.383 -4.404 1.00 0.00 H new ATOM 1477 N TRP A 90 13.449 0.189 -4.285 1.00 0.00 N ATOM 1478 CA TRP A 90 12.855 1.030 -5.318 1.00 0.00 C ATOM 1479 C TRP A 90 13.865 2.045 -5.850 1.00 0.00 C ATOM 1480 O TRP A 90 14.527 2.739 -5.078 1.00 0.00 O ATOM 1481 CB TRP A 90 11.586 1.718 -4.800 1.00 0.00 C ATOM 1482 CG TRP A 90 11.823 3.004 -4.067 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.255 4.185 -4.598 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.617 3.242 -2.671 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.334 5.141 -3.615 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.945 4.587 -2.425 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.188 2.448 -1.605 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.856 5.156 -1.160 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.098 3.016 -0.349 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.430 4.358 -0.135 1.00 0.00 C ATOM 0 H TRP A 90 14.233 0.618 -3.793 1.00 0.00 H new ATOM 0 HA TRP A 90 12.567 0.389 -6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.925 1.914 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.061 1.030 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.499 4.344 -5.638 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.634 6.107 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 90 10.932 1.410 -1.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.114 6.191 -0.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.765 2.413 0.483 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.348 4.772 0.859 1.00 0.00 H new ATOM 1501 N GLU A 91 13.985 2.117 -7.177 1.00 0.00 N ATOM 1502 CA GLU A 91 14.922 3.038 -7.810 1.00 0.00 C ATOM 1503 C GLU A 91 14.489 4.485 -7.607 1.00 0.00 C ATOM 1504 O GLU A 91 13.324 4.828 -7.811 1.00 0.00 O ATOM 1505 CB GLU A 91 15.042 2.729 -9.304 1.00 0.00 C ATOM 1506 CG GLU A 91 16.402 2.177 -9.703 1.00 0.00 C ATOM 1507 CD GLU A 91 16.663 2.293 -11.192 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.778 3.434 -11.688 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.753 1.243 -11.863 1.00 0.00 O ATOM 0 H GLU A 91 13.445 1.549 -7.830 1.00 0.00 H new ATOM 0 HA GLU A 91 15.896 2.905 -7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.271 2.010 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.847 3.639 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.181 2.711 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.466 1.130 -9.407 1.00 0.00 H new ATOM 1516 N GLY A 92 15.433 5.331 -7.205 1.00 0.00 N ATOM 1517 CA GLY A 92 15.126 6.733 -6.981 1.00 0.00 C ATOM 1518 C GLY A 92 13.891 6.924 -6.129 1.00 0.00 C ATOM 1519 O GLY A 92 13.922 6.717 -4.916 1.00 0.00 O ATOM 0 H GLY A 92 16.404 5.071 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.976 7.215 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.982 7.228 -7.941 1.00 0.00 H new ATOM 1523 N GLU A 93 12.802 7.316 -6.772 1.00 0.00 N ATOM 1524 CA GLU A 93 11.540 7.533 -6.079 1.00 0.00 C ATOM 1525 C GLU A 93 10.384 6.893 -6.846 1.00 0.00 C ATOM 1526 O GLU A 93 10.312 7.001 -8.070 1.00 0.00 O ATOM 1527 CB GLU A 93 11.283 9.032 -5.904 1.00 0.00 C ATOM 1528 CG GLU A 93 9.988 9.345 -5.172 1.00 0.00 C ATOM 1529 CD GLU A 93 9.919 10.786 -4.704 1.00 0.00 C ATOM 1530 OE1 GLU A 93 10.648 11.137 -3.753 1.00 0.00 O ATOM 1531 OE2 GLU A 93 9.134 11.562 -5.289 1.00 0.00 O ATOM 0 H GLU A 93 12.766 7.491 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 93 11.606 7.065 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.116 9.474 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.260 9.505 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.144 9.139 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.891 8.682 -4.312 1.00 0.00 H new ATOM 1538 N PRO A 94 9.451 6.227 -6.138 1.00 0.00 N ATOM 1539 CA PRO A 94 8.294 5.589 -6.764 1.00 0.00 C ATOM 1540 C PRO A 94 7.277 6.630 -7.198 1.00 0.00 C ATOM 1541 O PRO A 94 6.899 7.499 -6.414 1.00 0.00 O ATOM 1542 CB PRO A 94 7.713 4.697 -5.654 1.00 0.00 C ATOM 1543 CG PRO A 94 8.690 4.761 -4.524 1.00 0.00 C ATOM 1544 CD PRO A 94 9.428 6.057 -4.684 1.00 0.00 C ATOM 0 HA PRO A 94 8.559 5.027 -7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.731 5.052 -5.342 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.586 3.672 -6.003 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.177 4.721 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.377 3.915 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.916 6.881 -4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.433 6.007 -4.265 1.00 0.00 H new ATOM 1552 N TRP A 95 6.847 6.561 -8.451 1.00 0.00 N ATOM 1553 CA TRP A 95 5.889 7.531 -8.958 1.00 0.00 C ATOM 1554 C TRP A 95 4.583 6.888 -9.391 1.00 0.00 C ATOM 1555 O TRP A 95 3.523 7.165 -8.828 1.00 0.00 O ATOM 1556 CB TRP A 95 6.481 8.306 -10.138 1.00 0.00 C ATOM 1557 CG TRP A 95 7.226 7.455 -11.133 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.527 7.063 -11.055 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.719 6.901 -12.358 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.873 6.322 -12.162 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.780 6.209 -12.976 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.474 6.925 -12.994 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.634 5.557 -14.199 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 5.330 6.274 -14.205 1.00 0.00 C ATOM 1565 CH2 TRP A 95 6.406 5.601 -14.798 1.00 0.00 C ATOM 0 H TRP A 95 7.142 5.855 -9.125 1.00 0.00 H new ATOM 0 HA TRP A 95 5.673 8.211 -8.134 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.675 8.827 -10.655 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.158 9.069 -9.753 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.194 7.300 -10.239 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.794 5.923 -12.345 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.639 7.443 -12.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.461 5.036 -14.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.371 6.284 -14.702 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.262 5.107 -15.748 1.00 0.00 H new ATOM 1576 N GLY A 96 4.665 6.044 -10.408 1.00 0.00 N ATOM 1577 CA GLY A 96 3.481 5.383 -10.932 1.00 0.00 C ATOM 1578 C GLY A 96 2.292 6.322 -11.069 1.00 0.00 C ATOM 1579 O GLY A 96 2.205 7.085 -12.031 1.00 0.00 O ATOM 0 H GLY A 96 5.534 5.802 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.712 4.953 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.211 4.556 -10.275 1.00 0.00 H new ATOM 1583 N LYS A 97 1.378 6.258 -10.097 1.00 0.00 N ATOM 1584 CA LYS A 97 0.178 7.098 -10.086 1.00 0.00 C ATOM 1585 C LYS A 97 -0.892 6.504 -9.167 1.00 0.00 C ATOM 1586 O LYS A 97 -1.884 5.945 -9.635 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.392 7.263 -11.502 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.123 8.631 -12.109 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.027 9.694 -11.508 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.463 9.541 -11.985 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.812 10.545 -13.027 1.00 0.00 N ATOM 0 H LYS A 97 1.448 5.626 -9.300 1.00 0.00 H new ATOM 0 HA LYS A 97 0.466 8.079 -9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.036 6.497 -12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.468 7.092 -11.474 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.920 8.904 -11.946 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.277 8.588 -13.187 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.995 9.628 -10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.656 10.683 -11.778 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.608 8.537 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.140 9.647 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.799 10.407 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.699 11.503 -12.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.183 10.428 -13.847 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.686 6.628 -7.858 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.636 6.104 -6.879 1.00 0.00 C ATOM 1607 C GLU A 98 -2.705 7.144 -6.550 1.00 0.00 C ATOM 1608 O GLU A 98 -3.858 6.799 -6.288 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.906 5.671 -5.604 1.00 0.00 C ATOM 1610 CG GLU A 98 -0.445 6.828 -4.732 1.00 0.00 C ATOM 1611 CD GLU A 98 -1.315 7.011 -3.503 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -1.762 5.993 -2.936 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -1.549 8.173 -3.109 1.00 0.00 O ATOM 0 H GLU A 98 0.129 7.086 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.127 5.233 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.566 5.030 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.040 5.070 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.586 6.657 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.453 7.747 -5.319 1.00 0.00 H new ATOM 1620 N GLY A 99 -2.320 8.418 -6.571 1.00 0.00 N ATOM 1621 CA GLY A 99 -3.267 9.479 -6.279 1.00 0.00 C ATOM 1622 C GLY A 99 -2.662 10.623 -5.485 1.00 0.00 C ATOM 1623 O GLY A 99 -2.990 11.785 -5.719 1.00 0.00 O ATOM 0 H GLY A 99 -1.373 8.733 -6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.667 9.868 -7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.107 9.064 -5.722 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.788 10.301 -4.534 1.00 0.00 N ATOM 1628 CA GLN A 100 -1.159 11.325 -3.703 1.00 0.00 C ATOM 1629 C GLN A 100 0.313 11.025 -3.449 1.00 0.00 C ATOM 1630 O GLN A 100 0.654 10.089 -2.726 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.900 11.450 -2.371 1.00 0.00 C ATOM 1632 CG GLN A 100 -3.409 11.552 -2.521 1.00 0.00 C ATOM 1633 CD GLN A 100 -4.105 10.218 -2.335 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.868 9.777 -3.196 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.845 9.568 -1.208 1.00 0.00 N ATOM 0 H GLN A 100 -1.501 9.346 -4.320 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.218 12.269 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.663 10.586 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.535 12.331 -1.843 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.796 12.264 -1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.646 11.947 -3.509 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.206 9.971 -0.523 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.284 8.665 -1.027 1.00 0.00 H new ATOM 1644 N PRO A 101 1.208 11.837 -4.036 1.00 0.00 N ATOM 1645 CA PRO A 101 2.657 11.684 -3.872 1.00 0.00 C ATOM 1646 C PRO A 101 3.057 11.410 -2.423 1.00 0.00 C ATOM 1647 O PRO A 101 2.423 11.903 -1.490 1.00 0.00 O ATOM 1648 CB PRO A 101 3.175 13.047 -4.315 1.00 0.00 C ATOM 1649 CG PRO A 101 2.221 13.473 -5.370 1.00 0.00 C ATOM 1650 CD PRO A 101 0.877 12.986 -4.908 1.00 0.00 C ATOM 0 HA PRO A 101 3.055 10.840 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.194 13.755 -3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.192 12.980 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.227 14.556 -5.491 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.485 13.043 -6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.335 13.760 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.249 12.686 -5.747 1.00 0.00 H new ATOM 1658 N GLY A 102 4.110 10.617 -2.241 1.00 0.00 N ATOM 1659 CA GLY A 102 4.569 10.290 -0.902 1.00 0.00 C ATOM 1660 C GLY A 102 6.046 10.572 -0.696 1.00 0.00 C ATOM 1661 O GLY A 102 6.746 10.981 -1.623 1.00 0.00 O ATOM 0 H GLY A 102 4.652 10.196 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.991 10.862 -0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.375 9.236 -0.705 1.00 0.00 H new ATOM 1665 N GLU A 103 6.519 10.347 0.527 1.00 0.00 N ATOM 1666 CA GLU A 103 7.920 10.571 0.866 1.00 0.00 C ATOM 1667 C GLU A 103 8.507 9.337 1.547 1.00 0.00 C ATOM 1668 O GLU A 103 7.772 8.523 2.109 1.00 0.00 O ATOM 1669 CB GLU A 103 8.059 11.788 1.782 1.00 0.00 C ATOM 1670 CG GLU A 103 9.435 12.433 1.734 1.00 0.00 C ATOM 1671 CD GLU A 103 9.859 12.798 0.325 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.370 11.911 -0.390 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.678 13.971 -0.065 1.00 0.00 O ATOM 0 H GLU A 103 5.949 10.008 1.302 1.00 0.00 H new ATOM 0 HA GLU A 103 8.470 10.759 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.310 12.529 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.844 11.487 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.433 13.330 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.167 11.750 2.164 1.00 0.00 H new ATOM 1680 N TRP A 104 9.828 9.196 1.494 1.00 0.00 N ATOM 1681 CA TRP A 104 10.490 8.048 2.111 1.00 0.00 C ATOM 1682 C TRP A 104 10.593 8.237 3.621 1.00 0.00 C ATOM 1683 O TRP A 104 11.394 9.036 4.105 1.00 0.00 O ATOM 1684 CB TRP A 104 11.891 7.833 1.512 1.00 0.00 C ATOM 1685 CG TRP A 104 12.056 8.404 0.133 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.130 8.404 -0.871 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.217 9.058 -0.391 1.00 0.00 C ATOM 1688 NE1 TRP A 104 11.645 9.018 -1.987 1.00 0.00 N ATOM 1689 CE2 TRP A 104 12.925 9.428 -1.718 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.476 9.367 0.132 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 13.845 10.091 -2.526 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.388 10.024 -0.671 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.069 10.381 -1.987 1.00 0.00 C ATOM 0 H TRP A 104 10.457 9.855 1.035 1.00 0.00 H new ATOM 0 HA TRP A 104 9.887 7.164 1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.631 8.284 2.173 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.102 6.764 1.480 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.138 7.983 -0.798 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.155 9.148 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.731 9.097 1.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 13.601 10.366 -3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.364 10.267 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 104 15.804 10.896 -2.589 1.00 0.00 H new ATOM 1704 N MET A 105 9.777 7.490 4.360 1.00 0.00 N ATOM 1705 CA MET A 105 9.772 7.566 5.818 1.00 0.00 C ATOM 1706 C MET A 105 10.114 6.214 6.435 1.00 0.00 C ATOM 1707 O MET A 105 10.042 5.184 5.768 1.00 0.00 O ATOM 1708 CB MET A 105 8.410 8.044 6.327 1.00 0.00 C ATOM 1709 CG MET A 105 7.230 7.426 5.594 1.00 0.00 C ATOM 1710 SD MET A 105 5.663 8.211 6.018 1.00 0.00 S ATOM 1711 CE MET A 105 5.848 9.798 5.208 1.00 0.00 C ATOM 0 H MET A 105 9.109 6.824 3.972 1.00 0.00 H new ATOM 0 HA MET A 105 10.533 8.286 6.119 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.328 7.813 7.389 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.357 9.129 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.393 7.505 4.519 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.176 6.363 5.831 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.867 10.251 5.067 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.465 10.452 5.825 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.325 9.658 4.238 1.00 0.00 H new ATOM 1721 N SER A 106 10.481 6.222 7.712 1.00 0.00 N ATOM 1722 CA SER A 106 10.827 4.991 8.413 1.00 0.00 C ATOM 1723 C SER A 106 9.574 4.185 8.747 1.00 0.00 C ATOM 1724 O SER A 106 8.734 4.624 9.532 1.00 0.00 O ATOM 1725 CB SER A 106 11.600 5.310 9.694 1.00 0.00 C ATOM 1726 OG SER A 106 10.801 6.044 10.604 1.00 0.00 O ATOM 0 H SER A 106 10.546 7.066 8.282 1.00 0.00 H new ATOM 0 HA SER A 106 11.458 4.392 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.931 4.383 10.162 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.495 5.881 9.449 1.00 0.00 H new ATOM 0 HG SER A 106 9.873 5.732 10.550 1.00 0.00 H new ATOM 1732 N LEU A 107 9.457 3.004 8.146 1.00 0.00 N ATOM 1733 CA LEU A 107 8.307 2.136 8.380 1.00 0.00 C ATOM 1734 C LEU A 107 8.440 1.383 9.702 1.00 0.00 C ATOM 1735 O LEU A 107 7.453 0.885 10.243 1.00 0.00 O ATOM 1736 CB LEU A 107 8.148 1.143 7.229 1.00 0.00 C ATOM 1737 CG LEU A 107 6.744 1.070 6.622 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.779 0.403 7.590 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.251 2.460 6.249 1.00 0.00 C ATOM 0 H LEU A 107 10.144 2.626 7.494 1.00 0.00 H new ATOM 0 HA LEU A 107 7.420 2.767 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.854 1.407 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.425 0.151 7.585 1.00 0.00 H new ATOM 0 HG LEU A 107 6.792 0.468 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.786 0.360 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.123 -0.608 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.735 0.979 8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.252 2.389 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.219 3.086 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.929 2.903 5.519 1.00 0.00 H new ATOM 1751 N VAL A 108 9.664 1.305 10.219 1.00 0.00 N ATOM 1752 CA VAL A 108 9.919 0.614 11.478 1.00 0.00 C ATOM 1753 C VAL A 108 9.028 1.149 12.599 1.00 0.00 C ATOM 1754 O VAL A 108 8.843 0.491 13.623 1.00 0.00 O ATOM 1755 CB VAL A 108 11.394 0.748 11.904 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.679 -0.114 13.124 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.320 0.381 10.751 1.00 0.00 C ATOM 0 H VAL A 108 10.493 1.712 9.785 1.00 0.00 H new ATOM 0 HA VAL A 108 9.689 -0.438 11.309 1.00 0.00 H new ATOM 0 HB VAL A 108 11.582 1.788 12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.725 -0.006 13.409 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.043 0.203 13.950 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.473 -1.158 12.888 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.357 0.482 11.071 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.132 -0.649 10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.134 1.047 9.909 1.00 0.00 H new ATOM 1767 N GLY A 109 8.476 2.343 12.399 1.00 0.00 N ATOM 1768 CA GLY A 109 7.615 2.939 13.398 1.00 0.00 C ATOM 1769 C GLY A 109 6.466 3.709 12.780 1.00 0.00 C ATOM 1770 O GLY A 109 6.274 4.891 13.065 1.00 0.00 O ATOM 0 H GLY A 109 8.612 2.907 11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.219 2.157 14.046 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.201 3.608 14.027 1.00 0.00 H new ATOM 1774 N LEU A 110 5.701 3.034 11.929 1.00 0.00 N ATOM 1775 CA LEU A 110 4.560 3.655 11.263 1.00 0.00 C ATOM 1776 C LEU A 110 3.526 4.101 12.292 1.00 0.00 C ATOM 1777 O LEU A 110 3.417 3.513 13.367 1.00 0.00 O ATOM 1778 CB LEU A 110 3.929 2.679 10.268 1.00 0.00 C ATOM 1779 CG LEU A 110 2.596 3.132 9.669 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.442 2.607 8.250 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.440 2.669 10.542 1.00 0.00 C ATOM 0 H LEU A 110 5.850 2.055 11.683 1.00 0.00 H new ATOM 0 HA LEU A 110 4.911 4.531 10.717 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.635 2.507 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.778 1.722 10.768 1.00 0.00 H new ATOM 0 HG LEU A 110 2.585 4.221 9.632 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.488 2.939 7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.255 2.987 7.631 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.473 1.517 8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.498 2.999 10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.448 1.581 10.609 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.544 3.095 11.540 1.00 0.00 H new ATOM 1793 N ASN A 111 2.783 5.157 11.968 1.00 0.00 N ATOM 1794 CA ASN A 111 1.782 5.683 12.886 1.00 0.00 C ATOM 1795 C ASN A 111 0.362 5.387 12.428 1.00 0.00 C ATOM 1796 O ASN A 111 -0.032 5.718 11.310 1.00 0.00 O ATOM 1797 CB ASN A 111 1.971 7.190 13.067 1.00 0.00 C ATOM 1798 CG ASN A 111 2.415 7.554 14.470 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.918 6.711 15.213 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.230 8.816 14.841 1.00 0.00 N ATOM 0 H ASN A 111 2.856 5.660 11.084 1.00 0.00 H new ATOM 0 HA ASN A 111 1.926 5.178 13.841 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.710 7.549 12.351 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.035 7.700 12.842 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.509 9.119 15.774 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.809 9.482 14.193 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.405 4.773 13.323 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.792 4.438 13.046 1.00 0.00 C ATOM 1809 C ALA A 112 -2.665 5.697 13.041 1.00 0.00 C ATOM 1810 O ALA A 112 -3.805 5.673 12.578 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.312 3.435 14.067 1.00 0.00 C ATOM 0 H ALA A 112 -0.084 4.497 14.251 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.842 3.984 12.056 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.352 3.195 13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.712 2.526 14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.244 3.865 15.066 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.129 6.793 13.579 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.866 8.053 13.646 1.00 0.00 C ATOM 1819 C ASP A 113 -2.873 8.775 12.298 1.00 0.00 C ATOM 1820 O ASP A 113 -3.926 9.201 11.823 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.258 8.962 14.716 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.159 10.131 15.061 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.535 10.884 14.138 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.491 10.294 16.254 1.00 0.00 O ATOM 0 H ASP A 113 -1.189 6.833 13.974 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.898 7.818 13.908 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.063 8.379 15.616 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.297 9.339 14.366 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.699 8.913 11.685 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.591 9.590 10.393 1.00 0.00 C ATOM 1831 C ASP A 114 -2.269 8.775 9.296 1.00 0.00 C ATOM 1832 O ASP A 114 -2.719 9.323 8.292 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.126 9.860 10.010 1.00 0.00 C ATOM 1834 CG ASP A 114 0.882 9.271 10.979 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.989 9.788 12.112 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.567 8.297 10.604 1.00 0.00 O ATOM 0 H ASP A 114 -0.815 8.568 12.058 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.098 10.550 10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.060 9.453 9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.031 10.937 9.948 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.339 7.465 9.498 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.965 6.573 8.531 1.00 0.00 C ATOM 1843 C PHE A 115 -4.401 6.254 8.959 1.00 0.00 C ATOM 1844 O PHE A 115 -4.788 6.521 10.097 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.122 5.292 8.389 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.772 4.053 8.932 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.195 4.013 10.243 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.954 2.936 8.138 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.790 2.886 10.764 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.549 1.801 8.650 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.966 1.777 9.967 1.00 0.00 C ATOM 0 H PHE A 115 -1.969 6.996 10.325 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.010 7.062 7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.897 5.136 7.334 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.170 5.441 8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.057 4.880 10.872 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.628 2.952 7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.117 2.872 11.793 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.688 0.933 8.022 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.430 0.889 10.371 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.209 5.669 8.059 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.599 5.313 8.365 1.00 0.00 C ATOM 1863 C PRO A 116 -6.687 4.109 9.304 1.00 0.00 C ATOM 1864 O PRO A 116 -6.087 3.069 9.040 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.182 4.966 6.994 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.013 4.509 6.192 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.834 5.307 6.681 1.00 0.00 C ATOM 0 HA PRO A 116 -7.129 6.117 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.939 4.185 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.662 5.831 6.537 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.843 3.441 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.182 4.675 5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.915 4.721 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.665 6.191 6.066 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.436 4.231 10.416 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.587 3.142 11.393 1.00 0.00 C ATOM 1877 C PRO A 117 -8.257 1.902 10.807 1.00 0.00 C ATOM 1878 O PRO A 117 -8.215 0.825 11.402 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.468 3.756 12.488 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.154 4.906 11.835 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.188 5.433 10.814 1.00 0.00 C ATOM 0 HA PRO A 117 -6.618 2.793 11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.188 3.031 12.867 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.869 4.085 13.337 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.086 4.590 11.365 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.409 5.674 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.703 5.885 9.967 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.534 6.197 11.234 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.879 2.055 9.642 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.559 0.944 8.985 1.00 0.00 C ATOM 1891 C ALA A 118 -8.574 -0.085 8.436 1.00 0.00 C ATOM 1892 O ALA A 118 -8.974 -1.162 7.995 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.456 1.462 7.871 1.00 0.00 C ATOM 0 H ALA A 118 -8.926 2.938 9.133 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.170 0.443 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.958 0.623 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.201 2.139 8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.853 1.995 7.136 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.290 0.253 8.450 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.260 -0.640 7.936 1.00 0.00 C ATOM 1901 C ASN A 119 -5.224 -0.970 9.012 1.00 0.00 C ATOM 1902 O ASN A 119 -4.048 -1.177 8.713 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.588 0.019 6.732 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.072 -0.546 5.411 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.292 -0.718 4.476 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.367 -0.832 5.324 1.00 0.00 N ATOM 0 H ASN A 119 -6.938 1.139 8.812 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.724 -1.578 7.632 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.780 1.092 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.509 -0.114 6.806 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.749 -1.210 4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.979 -0.674 6.124 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.668 -0.999 10.267 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.788 -1.282 11.395 1.00 0.00 C ATOM 1915 C GLU A 120 -4.434 -2.772 11.522 1.00 0.00 C ATOM 1916 O GLU A 120 -3.329 -3.104 11.943 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.435 -0.760 12.685 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.847 -1.842 13.676 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.449 -1.272 14.945 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -5.679 -0.800 15.807 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -7.690 -1.297 15.077 1.00 0.00 O ATOM 0 H GLU A 120 -6.639 -0.828 10.528 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.845 -0.765 11.217 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.737 -0.083 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.315 -0.174 12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.569 -2.507 13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.977 -2.446 13.931 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.354 -3.694 11.179 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.096 -5.137 11.289 1.00 0.00 C ATOM 1930 C PRO A 121 -3.726 -5.544 10.759 1.00 0.00 C ATOM 1931 O PRO A 121 -3.000 -6.298 11.408 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.202 -5.746 10.433 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.336 -4.791 10.567 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.717 -3.421 10.677 1.00 0.00 C ATOM 0 HA PRO A 121 -5.094 -5.470 12.327 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.890 -5.850 9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.476 -6.741 10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.000 -4.851 9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.936 -5.020 11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.695 -2.913 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.276 -2.782 11.361 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.374 -5.040 9.587 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.085 -5.353 8.985 1.00 0.00 C ATOM 1944 C VAL A 122 -0.986 -4.551 9.661 1.00 0.00 C ATOM 1945 O VAL A 122 0.142 -5.021 9.811 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.053 -5.060 7.468 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.160 -6.060 6.755 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -3.448 -5.079 6.868 1.00 0.00 C ATOM 0 H VAL A 122 -3.960 -4.414 9.034 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.924 -6.422 9.126 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.644 -4.059 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.148 -5.840 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.147 -5.990 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.543 -7.068 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.388 -4.869 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.896 -6.061 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.063 -4.321 7.353 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.330 -3.337 10.071 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.383 -2.462 10.737 1.00 0.00 C ATOM 1960 C ILE A 123 -0.019 -3.004 12.110 1.00 0.00 C ATOM 1961 O ILE A 123 1.131 -2.945 12.514 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.939 -1.037 10.889 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.291 -0.461 9.518 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.066 -0.147 11.605 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.100 0.089 8.763 1.00 0.00 C ATOM 0 H ILE A 123 -2.261 -2.938 9.952 1.00 0.00 H new ATOM 0 HA ILE A 123 0.509 -2.425 10.112 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.847 -1.077 11.491 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.762 -1.239 8.917 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.027 0.333 9.646 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.344 0.858 11.704 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.272 -0.554 12.595 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.991 -0.107 11.030 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.429 0.480 7.800 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.360 0.890 9.342 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.628 -0.706 8.602 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.000 -3.539 12.823 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.748 -4.090 14.146 1.00 0.00 C ATOM 1979 C ALA A 124 0.365 -5.127 14.085 1.00 0.00 C ATOM 1980 O ALA A 124 1.102 -5.324 15.051 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.019 -4.701 14.718 1.00 0.00 C ATOM 0 H ALA A 124 -1.969 -3.603 12.511 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.430 -3.282 14.804 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.813 -5.109 15.708 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.789 -3.933 14.795 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.366 -5.499 14.062 1.00 0.00 H new ATOM 1987 N LYS A 125 0.482 -5.787 12.935 1.00 0.00 N ATOM 1988 CA LYS A 125 1.509 -6.807 12.741 1.00 0.00 C ATOM 1989 C LYS A 125 2.872 -6.187 12.417 1.00 0.00 C ATOM 1990 O LYS A 125 3.872 -6.497 13.065 1.00 0.00 O ATOM 1991 CB LYS A 125 1.096 -7.765 11.623 1.00 0.00 C ATOM 1992 CG LYS A 125 0.087 -8.814 12.063 1.00 0.00 C ATOM 1993 CD LYS A 125 0.705 -9.810 13.032 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.316 -10.833 13.503 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.845 -11.652 12.378 1.00 0.00 N ATOM 0 H LYS A 125 -0.120 -5.634 12.126 1.00 0.00 H new ATOM 0 HA LYS A 125 1.606 -7.358 13.677 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.673 -7.189 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.984 -8.266 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.765 -8.325 12.536 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.294 -9.343 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.538 -10.321 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.113 -9.278 13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.142 -11.488 14.244 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.141 -10.320 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.390 -12.452 12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.462 -11.065 11.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.053 -12.012 11.808 1.00 0.00 H new ATOM 2009 N LEU A 126 2.909 -5.325 11.402 1.00 0.00 N ATOM 2010 CA LEU A 126 4.154 -4.679 10.979 1.00 0.00 C ATOM 2011 C LEU A 126 4.543 -3.519 11.898 1.00 0.00 C ATOM 2012 O LEU A 126 5.698 -3.095 11.919 1.00 0.00 O ATOM 2013 CB LEU A 126 4.020 -4.174 9.542 1.00 0.00 C ATOM 2014 CG LEU A 126 5.343 -3.849 8.844 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.775 -5.005 7.955 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.217 -2.569 8.032 1.00 0.00 C ATOM 0 H LEU A 126 2.091 -5.056 10.856 1.00 0.00 H new ATOM 0 HA LEU A 126 4.944 -5.428 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.493 -4.927 8.956 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.398 -3.279 9.544 1.00 0.00 H new ATOM 0 HG LEU A 126 6.107 -3.698 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.717 -4.756 7.467 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.906 -5.901 8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.012 -5.187 7.199 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.167 -2.353 7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.440 -2.692 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.954 -1.743 8.693 1.00 0.00 H new ATOM 2028 N LYS A 127 3.577 -3.003 12.644 1.00 0.00 N ATOM 2029 CA LYS A 127 3.822 -1.887 13.553 1.00 0.00 C ATOM 2030 C LYS A 127 4.497 -2.367 14.823 1.00 0.00 C ATOM 2031 O LYS A 127 5.441 -1.749 15.313 1.00 0.00 O ATOM 2032 CB LYS A 127 2.510 -1.205 13.902 1.00 0.00 C ATOM 2033 CG LYS A 127 2.667 -0.012 14.826 1.00 0.00 C ATOM 2034 CD LYS A 127 1.422 0.860 14.828 1.00 0.00 C ATOM 2035 CE LYS A 127 1.618 2.109 15.672 1.00 0.00 C ATOM 2036 NZ LYS A 127 1.518 1.819 17.128 1.00 0.00 N ATOM 0 H LYS A 127 2.614 -3.338 12.639 1.00 0.00 H new ATOM 0 HA LYS A 127 4.481 -1.177 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 127 2.025 -0.879 12.982 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.847 -1.932 14.372 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.870 -0.360 15.839 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.527 0.581 14.514 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.175 1.146 13.806 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.577 0.289 15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.594 2.544 15.455 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.870 2.853 15.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.658 2.697 17.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.578 1.428 17.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 2.248 1.129 17.395 1.00 0.00 H new ATOM 2050 N ARG A 128 4.016 -3.491 15.338 1.00 0.00 N ATOM 2051 CA ARG A 128 4.587 -4.075 16.537 1.00 0.00 C ATOM 2052 C ARG A 128 5.977 -4.623 16.236 1.00 0.00 C ATOM 2053 O ARG A 128 6.699 -5.043 17.141 1.00 0.00 O ATOM 2054 CB ARG A 128 3.684 -5.185 17.071 1.00 0.00 C ATOM 2055 CG ARG A 128 3.991 -5.583 18.505 1.00 0.00 C ATOM 2056 CD ARG A 128 2.747 -6.079 19.224 1.00 0.00 C ATOM 2057 NE ARG A 128 1.747 -5.024 19.376 1.00 0.00 N ATOM 2058 CZ ARG A 128 0.463 -5.254 19.640 1.00 0.00 C ATOM 2059 NH1 ARG A 128 0.019 -6.497 19.784 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.381 -4.238 19.763 1.00 0.00 N ATOM 0 H ARG A 128 3.234 -4.013 14.943 1.00 0.00 H new ATOM 0 HA ARG A 128 4.669 -3.301 17.300 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.646 -4.859 17.008 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.783 -6.062 16.431 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.752 -6.363 18.512 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.405 -4.729 19.040 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.315 -6.911 18.669 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.024 -6.461 20.207 1.00 0.00 H new ATOM 0 HE ARG A 128 2.051 -4.056 19.274 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.663 -7.282 19.692 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.966 -6.666 19.986 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -0.046 -3.281 19.655 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.365 -4.414 19.965 1.00 0.00 H new ATOM 2074 N LEU A 129 6.350 -4.610 14.954 1.00 0.00 N ATOM 2075 CA LEU A 129 7.658 -5.103 14.539 1.00 0.00 C ATOM 2076 C LEU A 129 8.774 -4.316 15.225 1.00 0.00 C ATOM 2077 O LEU A 129 8.542 -3.236 15.769 1.00 0.00 O ATOM 2078 CB LEU A 129 7.794 -5.027 13.012 1.00 0.00 C ATOM 2079 CG LEU A 129 8.814 -4.017 12.486 1.00 0.00 C ATOM 2080 CD1 LEU A 129 9.021 -4.193 10.990 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.372 -2.595 12.804 1.00 0.00 C ATOM 0 H LEU A 129 5.766 -4.265 14.192 1.00 0.00 H new ATOM 0 HA LEU A 129 7.748 -6.146 14.841 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.064 -6.015 12.640 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.819 -4.784 12.591 1.00 0.00 H new ATOM 0 HG LEU A 129 9.766 -4.199 12.985 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.750 -3.465 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.387 -5.200 10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.075 -4.041 10.471 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.111 -1.890 12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.408 -2.400 12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.281 -2.475 13.884 1.00 0.00 H new