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 73 TYR OH : rot -131:sc= -3.94! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.501 K(o=-4.4,f=-6.7!) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.021) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 13 ASN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -0.351 K(o=-0.35,f=-0.88) USER MOD Single : A 16 ASN : amide:sc= -1.75 X(o=-1.8,f=-1.9) USER MOD Single : A 21 THR OG1 : rot -45:sc= 1.2 USER MOD Single : A 31 ASN : amide:sc= -2.13 X(o=-2.1,f=-2.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -1.32 (180deg=-2.55!) USER MOD Single : A 42 MET CE :methyl -155:sc= -0.136 (180deg=-0.689) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.98 USER MOD Single : A 48 GLN : amide:sc= -2 K(o=-2,f=-2.9!) USER MOD Single : A 55 GLN : amide:sc=-0.00271 K(o=-0.0027,f=-0.55) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 63 GLN : amide:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -23! C(o=-23!,f=-26!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-3.9!) USER MOD Single : A 81 THR OG1 : rot -130:sc= -2.06 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -2.04 K(o=-2,f=-9.4!) USER MOD Single : A 105 MET CE :methyl 153:sc= -4.54! (180deg=-7.25!) USER MOD Single : A 106 SER OG : rot -86:sc= 0.813 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -158:sc= 1.16 (180deg=0.62) USER MOD Single : A 127 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.814 -5.693 -1.777 1.00 0.00 N ATOM 21 CA LYS A 2 -20.708 -5.018 -2.444 1.00 0.00 C ATOM 22 C LYS A 2 -19.381 -5.701 -2.129 1.00 0.00 C ATOM 23 O LYS A 2 -19.179 -6.208 -1.025 1.00 0.00 O ATOM 24 CB LYS A 2 -20.651 -3.549 -2.019 1.00 0.00 C ATOM 25 CG LYS A 2 -19.816 -2.680 -2.946 1.00 0.00 C ATOM 26 CD LYS A 2 -20.443 -2.573 -4.326 1.00 0.00 C ATOM 27 CE LYS A 2 -19.625 -1.677 -5.242 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.333 -2.308 -5.627 1.00 0.00 N ATOM 0 HA LYS A 2 -20.877 -5.074 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.665 -3.152 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.243 -3.487 -1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.710 -1.684 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.813 -3.098 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.526 -3.566 -4.767 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.455 -2.178 -4.237 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.201 -1.453 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.431 -0.728 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.852 -1.712 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.730 -2.406 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.513 -3.248 -6.035 1.00 0.00 H new ATOM 42 N LYS A 3 -18.481 -5.713 -3.106 1.00 0.00 N ATOM 43 CA LYS A 3 -17.173 -6.333 -2.936 1.00 0.00 C ATOM 44 C LYS A 3 -16.085 -5.492 -3.594 1.00 0.00 C ATOM 45 O LYS A 3 -16.226 -5.061 -4.738 1.00 0.00 O ATOM 46 CB LYS A 3 -17.174 -7.744 -3.527 1.00 0.00 C ATOM 47 CG LYS A 3 -17.945 -8.755 -2.693 1.00 0.00 C ATOM 48 CD LYS A 3 -18.740 -9.709 -3.568 1.00 0.00 C ATOM 49 CE LYS A 3 -17.920 -10.931 -3.949 1.00 0.00 C ATOM 50 NZ LYS A 3 -18.166 -11.349 -5.357 1.00 0.00 N ATOM 0 H LYS A 3 -18.634 -5.299 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.962 -6.395 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.604 -7.709 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.144 -8.084 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.250 -9.322 -2.073 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -18.621 -8.231 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.640 -10.024 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.064 -9.191 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.860 -10.713 -3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.163 -11.755 -3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.588 -12.185 -5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.172 -11.582 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.910 -10.572 -6.000 1.00 0.00 H new ATOM 64 N LEU A 4 -15.001 -5.257 -2.862 1.00 0.00 N ATOM 65 CA LEU A 4 -13.891 -4.462 -3.374 1.00 0.00 C ATOM 66 C LEU A 4 -12.555 -4.970 -2.835 1.00 0.00 C ATOM 67 O LEU A 4 -12.373 -5.105 -1.626 1.00 0.00 O ATOM 68 CB LEU A 4 -14.086 -2.994 -2.997 1.00 0.00 C ATOM 69 CG LEU A 4 -13.968 -2.687 -1.501 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.653 -1.987 -1.201 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.142 -1.839 -1.033 1.00 0.00 C ATOM 0 H LEU A 4 -14.868 -5.606 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.875 -4.557 -4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.350 -2.396 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.069 -2.674 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.988 -3.631 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.588 -1.777 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.823 -2.629 -1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.603 -1.051 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.039 -1.632 0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.155 -0.900 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.073 -2.377 -1.210 1.00 0.00 H new ATOM 83 N GLN A 5 -11.625 -5.258 -3.743 1.00 0.00 N ATOM 84 CA GLN A 5 -10.308 -5.759 -3.362 1.00 0.00 C ATOM 85 C GLN A 5 -9.245 -4.673 -3.437 1.00 0.00 C ATOM 86 O GLN A 5 -9.363 -3.716 -4.201 1.00 0.00 O ATOM 87 CB GLN A 5 -9.896 -6.914 -4.266 1.00 0.00 C ATOM 88 CG GLN A 5 -10.938 -8.009 -4.338 1.00 0.00 C ATOM 89 CD GLN A 5 -10.381 -9.317 -4.865 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.941 -10.172 -4.096 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.398 -9.479 -6.182 1.00 0.00 N ATOM 0 H GLN A 5 -11.760 -5.153 -4.749 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.384 -6.100 -2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.707 -6.533 -5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.958 -7.335 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.357 -8.172 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.757 -7.683 -4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.772 -8.744 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.037 -10.339 -6.595 1.00 0.00 H new ATOM 100 N ILE A 6 -8.198 -4.850 -2.642 1.00 0.00 N ATOM 101 CA ILE A 6 -7.091 -3.916 -2.606 1.00 0.00 C ATOM 102 C ILE A 6 -5.781 -4.648 -2.343 1.00 0.00 C ATOM 103 O ILE A 6 -5.647 -5.362 -1.350 1.00 0.00 O ATOM 104 CB ILE A 6 -7.287 -2.847 -1.521 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.655 -2.181 -1.666 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.175 -1.819 -1.603 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.755 -2.897 -0.915 1.00 0.00 C ATOM 0 H ILE A 6 -8.096 -5.643 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.055 -3.427 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.248 -3.325 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.590 -1.154 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.918 -2.134 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.320 -1.064 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.214 -2.310 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.191 -1.343 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.698 -2.370 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.847 -3.917 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.514 -2.921 0.148 1.00 0.00 H new ATOM 119 N ALA A 7 -4.810 -4.448 -3.223 1.00 0.00 N ATOM 120 CA ALA A 7 -3.505 -5.073 -3.071 1.00 0.00 C ATOM 121 C ALA A 7 -2.434 -4.005 -3.087 1.00 0.00 C ATOM 122 O ALA A 7 -2.377 -3.196 -4.005 1.00 0.00 O ATOM 123 CB ALA A 7 -3.258 -6.097 -4.166 1.00 0.00 C ATOM 0 H ALA A 7 -4.902 -3.858 -4.050 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.475 -5.600 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.275 -6.548 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.023 -6.872 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.298 -5.607 -5.139 1.00 0.00 H new ATOM 129 N VAL A 8 -1.599 -3.981 -2.066 1.00 0.00 N ATOM 130 CA VAL A 8 -0.561 -2.970 -1.990 1.00 0.00 C ATOM 131 C VAL A 8 0.750 -3.542 -1.471 1.00 0.00 C ATOM 132 O VAL A 8 0.783 -4.611 -0.867 1.00 0.00 O ATOM 133 CB VAL A 8 -0.998 -1.783 -1.096 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.503 -1.793 -0.867 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.256 -1.801 0.231 1.00 0.00 C ATOM 0 H VAL A 8 -1.617 -4.640 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.401 -2.610 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.742 -0.862 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.781 -0.949 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.017 -1.715 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.790 -2.723 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.580 -0.958 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.471 -2.732 0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.816 -1.726 0.049 1.00 0.00 H new ATOM 145 N GLY A 9 1.822 -2.800 -1.705 1.00 0.00 N ATOM 146 CA GLY A 9 3.131 -3.213 -1.253 1.00 0.00 C ATOM 147 C GLY A 9 3.896 -2.063 -0.631 1.00 0.00 C ATOM 148 O GLY A 9 4.098 -1.031 -1.272 1.00 0.00 O ATOM 0 H GLY A 9 1.806 -1.911 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.028 -4.018 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.697 -3.614 -2.094 1.00 0.00 H new ATOM 152 N ILE A 10 4.327 -2.232 0.614 1.00 0.00 N ATOM 153 CA ILE A 10 5.078 -1.182 1.299 1.00 0.00 C ATOM 154 C ILE A 10 6.466 -1.064 0.686 1.00 0.00 C ATOM 155 O ILE A 10 7.317 -1.924 0.906 1.00 0.00 O ATOM 156 CB ILE A 10 5.210 -1.445 2.818 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.059 -2.319 3.334 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.248 -0.125 3.569 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.012 -2.438 4.843 1.00 0.00 C ATOM 0 H ILE A 10 4.173 -3.076 1.166 1.00 0.00 H new ATOM 0 HA ILE A 10 4.524 -0.252 1.173 1.00 0.00 H new ATOM 0 HB ILE A 10 6.141 -1.984 2.992 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.114 -1.905 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.150 -3.316 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.341 -0.317 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.102 0.462 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.329 0.429 3.379 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.173 -3.070 5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.941 -2.881 5.202 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.889 -1.448 5.282 1.00 0.00 H new ATOM 171 N ILE A 11 6.682 -0.017 -0.108 1.00 0.00 N ATOM 172 CA ILE A 11 7.968 0.166 -0.780 1.00 0.00 C ATOM 173 C ILE A 11 9.069 0.542 0.195 1.00 0.00 C ATOM 174 O ILE A 11 8.948 1.500 0.948 1.00 0.00 O ATOM 175 CB ILE A 11 7.931 1.228 -1.905 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.498 1.598 -2.298 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.691 0.714 -3.119 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.434 2.488 -3.519 1.00 0.00 C ATOM 0 H ILE A 11 5.993 0.710 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 11 8.181 -0.804 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 11 8.408 2.132 -1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.932 0.686 -2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.016 2.103 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.663 1.464 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.727 0.516 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.228 -0.206 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.393 2.716 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.974 3.414 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.889 1.976 -4.367 1.00 0.00 H new ATOM 190 N ARG A 12 10.149 -0.233 0.154 1.00 0.00 N ATOM 191 CA ARG A 12 11.305 -0.011 1.018 1.00 0.00 C ATOM 192 C ARG A 12 12.430 0.678 0.261 1.00 0.00 C ATOM 193 O ARG A 12 12.880 0.182 -0.780 1.00 0.00 O ATOM 194 CB ARG A 12 11.817 -1.340 1.575 1.00 0.00 C ATOM 195 CG ARG A 12 11.327 -1.637 2.979 1.00 0.00 C ATOM 196 CD ARG A 12 12.481 -1.811 3.953 1.00 0.00 C ATOM 197 NE ARG A 12 12.098 -2.610 5.115 1.00 0.00 N ATOM 198 CZ ARG A 12 12.965 -3.258 5.890 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.266 -3.206 5.633 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.529 -3.962 6.925 1.00 0.00 N ATOM 0 H ARG A 12 10.248 -1.029 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 12 10.985 0.632 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.505 -2.147 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.907 -1.329 1.574 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.683 -0.826 3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.720 -2.542 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.317 -2.289 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.827 -0.832 4.284 1.00 0.00 H new ATOM 0 HE ARG A 12 11.107 -2.675 5.346 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.608 -2.667 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.924 -3.705 6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.530 -4.007 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.192 -4.459 7.520 1.00 0.00 H new ATOM 214 N ASN A 13 12.886 1.812 0.801 1.00 0.00 N ATOM 215 CA ASN A 13 13.973 2.570 0.183 1.00 0.00 C ATOM 216 C ASN A 13 15.332 1.949 0.495 1.00 0.00 C ATOM 217 O ASN A 13 15.423 0.849 1.042 1.00 0.00 O ATOM 218 CB ASN A 13 13.960 4.052 0.594 1.00 0.00 C ATOM 219 CG ASN A 13 13.996 4.273 2.088 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.980 4.159 2.766 1.00 0.00 O ATOM 221 ND2 ASN A 13 15.170 4.617 2.602 1.00 0.00 N ATOM 0 H ASN A 13 12.520 2.222 1.660 1.00 0.00 H new ATOM 0 HA ASN A 13 13.806 2.524 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.817 4.552 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.065 4.524 0.188 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.255 4.799 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.987 4.699 1.997 1.00 0.00 H new ATOM 228 N GLU A 14 16.381 2.659 0.102 1.00 0.00 N ATOM 229 CA GLU A 14 17.760 2.207 0.278 1.00 0.00 C ATOM 230 C GLU A 14 18.266 2.347 1.719 1.00 0.00 C ATOM 231 O GLU A 14 19.457 2.170 1.976 1.00 0.00 O ATOM 232 CB GLU A 14 18.660 3.012 -0.660 1.00 0.00 C ATOM 233 CG GLU A 14 20.135 2.655 -0.564 1.00 0.00 C ATOM 234 CD GLU A 14 20.932 3.678 0.223 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.327 4.392 1.051 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.160 3.763 0.014 1.00 0.00 O ATOM 0 H GLU A 14 16.302 3.570 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 14 17.788 1.143 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.326 2.859 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.539 4.073 -0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.239 1.678 -0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.551 2.570 -1.568 1.00 0.00 H new ATOM 243 N ASN A 15 17.384 2.666 2.659 1.00 0.00 N ATOM 244 CA ASN A 15 17.802 2.824 4.053 1.00 0.00 C ATOM 245 C ASN A 15 16.875 2.087 5.018 1.00 0.00 C ATOM 246 O ASN A 15 16.460 2.640 6.037 1.00 0.00 O ATOM 247 CB ASN A 15 17.862 4.307 4.417 1.00 0.00 C ATOM 248 CG ASN A 15 18.538 4.548 5.752 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.531 3.900 6.084 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.003 5.484 6.528 1.00 0.00 N ATOM 0 H ASN A 15 16.390 2.819 2.489 1.00 0.00 H new ATOM 0 HA ASN A 15 18.794 2.382 4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.399 4.848 3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.851 4.712 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.416 5.689 7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.180 5.998 6.214 1.00 0.00 H new ATOM 257 N ASN A 16 16.557 0.834 4.700 1.00 0.00 N ATOM 258 CA ASN A 16 15.683 0.020 5.548 1.00 0.00 C ATOM 259 C ASN A 16 14.428 0.787 5.957 1.00 0.00 C ATOM 260 O ASN A 16 13.801 0.484 6.973 1.00 0.00 O ATOM 261 CB ASN A 16 16.441 -0.448 6.789 1.00 0.00 C ATOM 262 CG ASN A 16 16.583 -1.957 6.846 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.072 -2.582 5.905 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.158 -2.549 7.955 1.00 0.00 N ATOM 0 H ASN A 16 16.891 0.358 3.862 1.00 0.00 H new ATOM 0 HA ASN A 16 15.370 -0.849 4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.431 0.008 6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.920 -0.101 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.230 -3.562 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.759 -1.991 8.710 1.00 0.00 H new ATOM 271 N GLU A 17 14.062 1.772 5.150 1.00 0.00 N ATOM 272 CA GLU A 17 12.879 2.579 5.402 1.00 0.00 C ATOM 273 C GLU A 17 11.881 2.357 4.278 1.00 0.00 C ATOM 274 O GLU A 17 12.245 1.858 3.216 1.00 0.00 O ATOM 275 CB GLU A 17 13.249 4.057 5.513 1.00 0.00 C ATOM 276 CG GLU A 17 13.900 4.427 6.836 1.00 0.00 C ATOM 277 CD GLU A 17 13.605 5.855 7.255 1.00 0.00 C ATOM 278 OE1 GLU A 17 12.997 6.597 6.454 1.00 0.00 O ATOM 279 OE2 GLU A 17 13.984 6.231 8.384 1.00 0.00 O ATOM 0 H GLU A 17 14.574 2.033 4.307 1.00 0.00 H new ATOM 0 HA GLU A 17 12.430 2.279 6.349 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.928 4.314 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.350 4.658 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.550 3.746 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.979 4.292 6.756 1.00 0.00 H new ATOM 286 N ILE A 18 10.624 2.692 4.512 1.00 0.00 N ATOM 287 CA ILE A 18 9.600 2.485 3.500 1.00 0.00 C ATOM 288 C ILE A 18 9.026 3.805 2.973 1.00 0.00 C ATOM 289 O ILE A 18 8.696 4.708 3.742 1.00 0.00 O ATOM 290 CB ILE A 18 8.482 1.580 4.061 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.386 0.277 3.259 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.136 2.295 4.095 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.322 -0.962 4.127 1.00 0.00 C ATOM 0 H ILE A 18 10.289 3.104 5.383 1.00 0.00 H new ATOM 0 HA ILE A 18 10.069 1.989 2.650 1.00 0.00 H new ATOM 0 HB ILE A 18 8.746 1.336 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.500 0.314 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.248 0.203 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.377 1.623 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.209 3.179 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.858 2.595 3.085 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.255 -1.847 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.220 -1.022 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.444 -0.910 4.771 1.00 0.00 H new ATOM 305 N PHE A 19 8.911 3.889 1.650 1.00 0.00 N ATOM 306 CA PHE A 19 8.378 5.071 0.980 1.00 0.00 C ATOM 307 C PHE A 19 6.869 4.933 0.774 1.00 0.00 C ATOM 308 O PHE A 19 6.420 4.331 -0.200 1.00 0.00 O ATOM 309 CB PHE A 19 9.085 5.254 -0.370 1.00 0.00 C ATOM 310 CG PHE A 19 8.494 6.321 -1.248 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.453 6.026 -2.115 1.00 0.00 C ATOM 312 CD2 PHE A 19 8.988 7.614 -1.217 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.916 7.003 -2.932 1.00 0.00 C ATOM 314 CE2 PHE A 19 8.454 8.594 -2.031 1.00 0.00 C ATOM 315 CZ PHE A 19 7.417 8.288 -2.890 1.00 0.00 C ATOM 0 H PHE A 19 9.184 3.140 1.013 1.00 0.00 H new ATOM 0 HA PHE A 19 8.559 5.947 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 19 10.133 5.492 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.063 4.306 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.057 5.022 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.800 7.859 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.105 6.761 -3.603 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.847 9.599 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.999 9.053 -3.528 1.00 0.00 H new ATOM 325 N ILE A 20 6.092 5.487 1.700 1.00 0.00 N ATOM 326 CA ILE A 20 4.639 5.417 1.619 1.00 0.00 C ATOM 327 C ILE A 20 4.047 6.794 1.337 1.00 0.00 C ATOM 328 O ILE A 20 4.706 7.815 1.527 1.00 0.00 O ATOM 329 CB ILE A 20 4.005 4.857 2.914 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.040 4.719 4.035 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.340 3.516 2.640 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.270 6.001 4.803 1.00 0.00 C ATOM 0 H ILE A 20 6.445 5.989 2.515 1.00 0.00 H new ATOM 0 HA ILE A 20 4.408 4.736 0.800 1.00 0.00 H new ATOM 0 HB ILE A 20 3.249 5.568 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.713 3.943 4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.986 4.386 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.898 3.134 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.560 3.643 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.084 2.809 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.014 5.831 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.627 6.774 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.335 6.324 5.260 1.00 0.00 H new ATOM 344 N THR A 21 2.798 6.812 0.887 1.00 0.00 N ATOM 345 CA THR A 21 2.115 8.063 0.584 1.00 0.00 C ATOM 346 C THR A 21 1.795 8.823 1.867 1.00 0.00 C ATOM 347 O THR A 21 1.280 8.249 2.824 1.00 0.00 O ATOM 348 CB THR A 21 0.826 7.787 -0.190 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.086 7.048 0.602 1.00 0.00 O ATOM 350 CG2 THR A 21 1.051 7.015 -1.472 1.00 0.00 C ATOM 0 H THR A 21 2.238 5.975 0.724 1.00 0.00 H new ATOM 0 HA THR A 21 2.776 8.675 -0.030 1.00 0.00 H new ATOM 0 HB THR A 21 0.425 8.769 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.387 6.315 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.096 6.853 -1.972 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.712 7.583 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.508 6.052 -1.242 1.00 0.00 H new ATOM 358 N ARG A 22 2.103 10.116 1.879 1.00 0.00 N ATOM 359 CA ARG A 22 1.847 10.949 3.049 1.00 0.00 C ATOM 360 C ARG A 22 0.896 12.091 2.708 1.00 0.00 C ATOM 361 O ARG A 22 1.285 13.062 2.060 1.00 0.00 O ATOM 362 CB ARG A 22 3.159 11.510 3.600 1.00 0.00 C ATOM 363 CG ARG A 22 2.989 12.297 4.890 1.00 0.00 C ATOM 364 CD ARG A 22 4.112 12.008 5.873 1.00 0.00 C ATOM 365 NE ARG A 22 4.287 13.093 6.837 1.00 0.00 N ATOM 366 CZ ARG A 22 4.711 14.311 6.512 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.002 14.607 5.252 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.843 15.239 7.452 1.00 0.00 N ATOM 0 H ARG A 22 2.529 10.609 1.094 1.00 0.00 H new ATOM 0 HA ARG A 22 1.378 10.326 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.852 10.687 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.613 12.155 2.848 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.966 13.363 4.666 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.031 12.046 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.899 11.081 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.042 11.855 5.326 1.00 0.00 H new ATOM 0 HE ARG A 22 4.071 12.905 7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.901 13.898 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.327 15.543 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.619 15.018 8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.168 16.173 7.204 1.00 0.00 H new ATOM 493 N ASN A 31 -4.877 11.679 7.057 1.00 0.00 N ATOM 494 CA ASN A 31 -5.225 10.306 7.402 1.00 0.00 C ATOM 495 C ASN A 31 -5.196 9.404 6.167 1.00 0.00 C ATOM 496 O ASN A 31 -5.933 8.422 6.090 1.00 0.00 O ATOM 497 CB ASN A 31 -6.612 10.264 8.047 1.00 0.00 C ATOM 498 CG ASN A 31 -6.556 9.907 9.520 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.979 8.825 9.926 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.030 10.820 10.329 1.00 0.00 N ATOM 0 HA ASN A 31 -4.485 9.936 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.093 11.235 7.930 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.231 9.536 7.523 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.965 10.637 11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.692 11.704 9.949 1.00 0.00 H new ATOM 507 N LYS A 32 -4.348 9.748 5.200 1.00 0.00 N ATOM 508 CA LYS A 32 -4.238 8.970 3.970 1.00 0.00 C ATOM 509 C LYS A 32 -2.873 8.305 3.844 1.00 0.00 C ATOM 510 O LYS A 32 -2.406 8.023 2.741 1.00 0.00 O ATOM 511 CB LYS A 32 -4.513 9.850 2.750 1.00 0.00 C ATOM 512 CG LYS A 32 -5.654 9.345 1.882 1.00 0.00 C ATOM 513 CD LYS A 32 -6.935 10.125 2.134 1.00 0.00 C ATOM 514 CE LYS A 32 -8.148 9.398 1.577 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.127 10.340 0.968 1.00 0.00 N ATOM 0 H LYS A 32 -3.729 10.558 5.245 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.990 8.182 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.743 10.861 3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.608 9.913 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.377 9.428 0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.825 8.288 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.063 10.281 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.858 11.111 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.826 8.675 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.633 8.836 2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.940 9.806 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.454 11.015 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.672 10.858 0.190 1.00 0.00 H new ATOM 529 N LEU A 33 -2.243 8.058 4.979 1.00 0.00 N ATOM 530 CA LEU A 33 -0.929 7.421 5.003 1.00 0.00 C ATOM 531 C LEU A 33 -1.032 5.964 4.563 1.00 0.00 C ATOM 532 O LEU A 33 -0.865 5.048 5.368 1.00 0.00 O ATOM 533 CB LEU A 33 -0.321 7.506 6.407 1.00 0.00 C ATOM 534 CG LEU A 33 1.161 7.137 6.503 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.969 7.874 5.445 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.694 7.447 7.894 1.00 0.00 C ATOM 0 H LEU A 33 -2.617 8.288 5.900 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.279 7.949 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.450 8.522 6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.885 6.850 7.069 1.00 0.00 H new ATOM 0 HG LEU A 33 1.261 6.067 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.020 7.597 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.603 7.605 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.864 8.949 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.749 7.179 7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.579 8.511 8.099 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.136 6.873 8.634 1.00 0.00 H new ATOM 548 N GLU A 34 -1.315 5.757 3.279 1.00 0.00 N ATOM 549 CA GLU A 34 -1.452 4.409 2.738 1.00 0.00 C ATOM 550 C GLU A 34 -0.301 4.063 1.798 1.00 0.00 C ATOM 551 O GLU A 34 0.671 4.811 1.683 1.00 0.00 O ATOM 552 CB GLU A 34 -2.787 4.265 2.005 1.00 0.00 C ATOM 553 CG GLU A 34 -3.987 4.682 2.842 1.00 0.00 C ATOM 554 CD GLU A 34 -4.710 5.884 2.269 1.00 0.00 C ATOM 555 OE1 GLU A 34 -4.081 6.650 1.508 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.907 6.062 2.580 1.00 0.00 O ATOM 0 H GLU A 34 -1.453 6.503 2.597 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.424 3.712 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.761 4.867 1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.913 3.227 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.682 3.846 2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.656 4.911 3.855 1.00 0.00 H new ATOM 563 N PHE A 35 -0.417 2.914 1.138 1.00 0.00 N ATOM 564 CA PHE A 35 0.613 2.448 0.214 1.00 0.00 C ATOM 565 C PHE A 35 0.060 2.290 -1.204 1.00 0.00 C ATOM 566 O PHE A 35 -1.150 2.349 -1.423 1.00 0.00 O ATOM 567 CB PHE A 35 1.209 1.118 0.692 1.00 0.00 C ATOM 568 CG PHE A 35 1.004 0.836 2.157 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.258 0.560 2.658 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.078 0.847 3.031 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.444 0.299 4.001 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.898 0.588 4.377 1.00 0.00 C ATOM 573 CZ PHE A 35 0.636 0.314 4.862 1.00 0.00 C ATOM 0 H PHE A 35 -1.216 2.287 1.226 1.00 0.00 H new ATOM 0 HA PHE A 35 1.399 3.203 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.768 0.307 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.278 1.116 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.106 0.549 1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.068 1.061 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.433 0.083 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.744 0.600 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.493 0.112 5.913 1.00 0.00 H new ATOM 583 N PRO A 36 0.955 2.094 -2.190 1.00 0.00 N ATOM 584 CA PRO A 36 0.585 1.936 -3.600 1.00 0.00 C ATOM 585 C PRO A 36 0.124 0.522 -3.957 1.00 0.00 C ATOM 586 O PRO A 36 0.315 -0.422 -3.195 1.00 0.00 O ATOM 587 CB PRO A 36 1.882 2.265 -4.330 1.00 0.00 C ATOM 588 CG PRO A 36 2.955 1.817 -3.399 1.00 0.00 C ATOM 589 CD PRO A 36 2.420 2.023 -2.004 1.00 0.00 C ATOM 0 HA PRO A 36 -0.261 2.570 -3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.943 1.745 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.959 3.331 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.204 0.770 -3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.868 2.391 -3.554 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.699 1.202 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.811 2.938 -1.558 1.00 0.00 H new ATOM 597 N GLY A 37 -0.472 0.397 -5.140 1.00 0.00 N ATOM 598 CA GLY A 37 -0.958 -0.886 -5.619 1.00 0.00 C ATOM 599 C GLY A 37 -2.461 -1.066 -5.487 1.00 0.00 C ATOM 600 O GLY A 37 -3.011 -2.049 -5.968 1.00 0.00 O ATOM 0 H GLY A 37 -0.628 1.173 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.679 -1.000 -6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.457 -1.682 -5.067 1.00 0.00 H new ATOM 604 N GLY A 38 -3.128 -0.113 -4.862 1.00 0.00 N ATOM 605 CA GLY A 38 -4.569 -0.185 -4.702 1.00 0.00 C ATOM 606 C GLY A 38 -5.310 -0.265 -6.029 1.00 0.00 C ATOM 607 O GLY A 38 -4.747 0.053 -7.076 1.00 0.00 O ATOM 0 H GLY A 38 -2.696 0.718 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.819 -1.058 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.913 0.691 -4.152 1.00 0.00 H new ATOM 611 N LYS A 39 -6.581 -0.682 -5.982 1.00 0.00 N ATOM 612 CA LYS A 39 -7.416 -0.788 -7.177 1.00 0.00 C ATOM 613 C LYS A 39 -7.173 -2.083 -7.945 1.00 0.00 C ATOM 614 O LYS A 39 -7.787 -2.310 -8.987 1.00 0.00 O ATOM 615 CB LYS A 39 -7.206 0.407 -8.103 1.00 0.00 C ATOM 616 CG LYS A 39 -8.225 0.470 -9.221 1.00 0.00 C ATOM 617 CD LYS A 39 -8.972 1.795 -9.223 1.00 0.00 C ATOM 618 CE LYS A 39 -9.984 1.867 -8.089 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.337 2.134 -6.771 1.00 0.00 N ATOM 0 H LYS A 39 -7.054 -0.953 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.449 -0.796 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.257 1.326 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.205 0.357 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.724 0.333 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.936 -0.349 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.260 2.615 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.483 1.924 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.709 2.652 -8.301 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.536 0.929 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.028 2.569 -6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.998 1.239 -6.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.533 2.780 -6.903 1.00 0.00 H new ATOM 633 N ILE A 40 -6.300 -2.942 -7.430 1.00 0.00 N ATOM 634 CA ILE A 40 -6.024 -4.218 -8.088 1.00 0.00 C ATOM 635 C ILE A 40 -7.325 -4.940 -8.404 1.00 0.00 C ATOM 636 O ILE A 40 -7.422 -5.705 -9.364 1.00 0.00 O ATOM 637 CB ILE A 40 -5.126 -5.126 -7.228 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.919 -5.763 -6.073 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.951 -4.322 -6.701 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.643 -7.240 -5.888 1.00 0.00 C ATOM 0 H ILE A 40 -5.776 -2.783 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.492 -3.997 -9.013 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.752 -5.939 -7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.680 -5.239 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.985 -5.621 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.315 -4.964 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.374 -3.929 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.319 -3.495 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.237 -7.620 -5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.909 -7.777 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.584 -7.388 -5.675 1.00 0.00 H new ATOM 652 N GLU A 41 -8.315 -4.664 -7.571 1.00 0.00 N ATOM 653 CA GLU A 41 -9.644 -5.239 -7.697 1.00 0.00 C ATOM 654 C GLU A 41 -10.080 -5.288 -9.154 1.00 0.00 C ATOM 655 O GLU A 41 -10.385 -6.358 -9.680 1.00 0.00 O ATOM 656 CB GLU A 41 -10.629 -4.406 -6.877 1.00 0.00 C ATOM 657 CG GLU A 41 -10.411 -2.901 -7.008 1.00 0.00 C ATOM 658 CD GLU A 41 -11.502 -2.219 -7.811 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.684 -2.578 -7.630 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.173 -1.329 -8.623 1.00 0.00 O ATOM 0 H GLU A 41 -8.217 -4.028 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.625 -6.262 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.645 -4.646 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.544 -4.687 -5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.366 -2.457 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.447 -2.718 -7.483 1.00 0.00 H new ATOM 667 N MET A 42 -10.090 -4.115 -9.791 1.00 0.00 N ATOM 668 CA MET A 42 -10.469 -3.970 -11.205 1.00 0.00 C ATOM 669 C MET A 42 -10.914 -5.293 -11.831 1.00 0.00 C ATOM 670 O MET A 42 -12.109 -5.542 -11.996 1.00 0.00 O ATOM 671 CB MET A 42 -9.293 -3.398 -12.000 1.00 0.00 C ATOM 672 CG MET A 42 -8.940 -1.969 -11.620 1.00 0.00 C ATOM 673 SD MET A 42 -8.991 -0.838 -13.025 1.00 0.00 S ATOM 674 CE MET A 42 -7.832 -1.628 -14.138 1.00 0.00 C ATOM 0 H MET A 42 -9.835 -3.235 -9.343 1.00 0.00 H new ATOM 0 HA MET A 42 -11.319 -3.288 -11.243 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.420 -4.032 -11.848 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.532 -3.434 -13.063 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.632 -1.620 -10.854 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.943 -1.951 -11.181 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.415 -0.884 -14.817 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.027 -2.084 -13.561 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.347 -2.397 -14.714 1.00 0.00 H new ATOM 684 N GLY A 43 -9.945 -6.136 -12.176 1.00 0.00 N ATOM 685 CA GLY A 43 -10.258 -7.419 -12.779 1.00 0.00 C ATOM 686 C GLY A 43 -9.027 -8.196 -13.182 1.00 0.00 C ATOM 687 O GLY A 43 -9.026 -8.901 -14.193 1.00 0.00 O ATOM 0 H GLY A 43 -8.950 -5.954 -12.049 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.842 -8.013 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.884 -7.259 -13.657 1.00 0.00 H new ATOM 691 N GLU A 44 -7.979 -8.064 -12.392 1.00 0.00 N ATOM 692 CA GLU A 44 -6.721 -8.754 -12.661 1.00 0.00 C ATOM 693 C GLU A 44 -6.693 -10.125 -11.990 1.00 0.00 C ATOM 694 O GLU A 44 -7.697 -10.574 -11.436 1.00 0.00 O ATOM 695 CB GLU A 44 -5.542 -7.908 -12.182 1.00 0.00 C ATOM 696 CG GLU A 44 -4.889 -7.094 -13.286 1.00 0.00 C ATOM 697 CD GLU A 44 -5.685 -5.854 -13.644 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.926 -5.884 -13.501 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.069 -4.855 -14.068 1.00 0.00 O ATOM 0 H GLU A 44 -7.969 -7.483 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.638 -8.901 -13.738 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.885 -7.232 -11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.794 -8.562 -11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.887 -6.800 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.775 -7.717 -14.173 1.00 0.00 H new ATOM 706 N THR A 45 -5.538 -10.786 -12.039 1.00 0.00 N ATOM 707 CA THR A 45 -5.384 -12.102 -11.433 1.00 0.00 C ATOM 708 C THR A 45 -4.748 -11.975 -10.052 1.00 0.00 C ATOM 709 O THR A 45 -3.999 -11.037 -9.797 1.00 0.00 O ATOM 710 CB THR A 45 -4.522 -12.999 -12.328 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.284 -12.381 -13.581 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.142 -14.353 -12.600 1.00 0.00 C ATOM 0 H THR A 45 -4.697 -10.430 -12.493 1.00 0.00 H new ATOM 0 HA THR A 45 -6.370 -12.555 -11.326 1.00 0.00 H new ATOM 0 HB THR A 45 -3.594 -13.145 -11.775 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.731 -12.969 -14.136 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.478 -14.935 -13.239 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.293 -14.880 -11.658 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.102 -14.220 -13.099 1.00 0.00 H new ATOM 720 N PRO A 46 -5.030 -12.921 -9.140 1.00 0.00 N ATOM 721 CA PRO A 46 -4.476 -12.905 -7.785 1.00 0.00 C ATOM 722 C PRO A 46 -2.987 -12.562 -7.766 1.00 0.00 C ATOM 723 O PRO A 46 -2.470 -12.062 -6.767 1.00 0.00 O ATOM 724 CB PRO A 46 -4.707 -14.341 -7.278 1.00 0.00 C ATOM 725 CG PRO A 46 -5.280 -15.100 -8.434 1.00 0.00 C ATOM 726 CD PRO A 46 -5.902 -14.080 -9.339 1.00 0.00 C ATOM 0 HA PRO A 46 -4.949 -12.143 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.773 -14.791 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.390 -14.350 -6.429 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.503 -15.660 -8.955 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.022 -15.823 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.912 -14.409 -10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.934 -13.866 -9.063 1.00 0.00 H new ATOM 734 N GLU A 47 -2.302 -12.832 -8.875 1.00 0.00 N ATOM 735 CA GLU A 47 -0.875 -12.550 -8.978 1.00 0.00 C ATOM 736 C GLU A 47 -0.613 -11.304 -9.823 1.00 0.00 C ATOM 737 O GLU A 47 0.268 -10.505 -9.505 1.00 0.00 O ATOM 738 CB GLU A 47 -0.141 -13.750 -9.577 1.00 0.00 C ATOM 739 CG GLU A 47 0.421 -14.702 -8.534 1.00 0.00 C ATOM 740 CD GLU A 47 1.916 -14.541 -8.342 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.419 -13.411 -8.517 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.585 -15.545 -8.016 1.00 0.00 O ATOM 0 H GLU A 47 -2.712 -13.245 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.499 -12.363 -7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.825 -14.297 -10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.674 -13.390 -10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.084 -14.532 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.205 -15.728 -8.831 1.00 0.00 H new ATOM 749 N GLN A 48 -1.372 -11.145 -10.905 1.00 0.00 N ATOM 750 CA GLN A 48 -1.205 -9.997 -11.793 1.00 0.00 C ATOM 751 C GLN A 48 -1.894 -8.751 -11.241 1.00 0.00 C ATOM 752 O GLN A 48 -1.713 -7.654 -11.766 1.00 0.00 O ATOM 753 CB GLN A 48 -1.755 -10.323 -13.183 1.00 0.00 C ATOM 754 CG GLN A 48 -0.719 -10.916 -14.125 1.00 0.00 C ATOM 755 CD GLN A 48 -0.788 -10.319 -15.517 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.827 -10.370 -16.176 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.322 -9.751 -15.972 1.00 0.00 N ATOM 0 H GLN A 48 -2.106 -11.794 -11.187 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.138 -9.786 -11.863 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.584 -11.023 -13.081 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.159 -9.413 -13.627 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.277 -10.753 -13.713 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.866 -11.994 -14.188 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.160 -9.732 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.337 -9.334 -16.903 1.00 0.00 H new ATOM 766 N ALA A 49 -2.683 -8.918 -10.187 1.00 0.00 N ATOM 767 CA ALA A 49 -3.391 -7.798 -9.583 1.00 0.00 C ATOM 768 C ALA A 49 -2.414 -6.726 -9.122 1.00 0.00 C ATOM 769 O ALA A 49 -2.530 -5.561 -9.501 1.00 0.00 O ATOM 770 CB ALA A 49 -4.239 -8.277 -8.417 1.00 0.00 C ATOM 0 H ALA A 49 -2.848 -9.817 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.046 -7.361 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.762 -7.429 -7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.966 -9.007 -8.772 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.598 -8.739 -7.666 1.00 0.00 H new ATOM 776 N VAL A 50 -1.455 -7.129 -8.302 1.00 0.00 N ATOM 777 CA VAL A 50 -0.456 -6.201 -7.785 1.00 0.00 C ATOM 778 C VAL A 50 0.626 -5.910 -8.822 1.00 0.00 C ATOM 779 O VAL A 50 1.008 -4.761 -9.027 1.00 0.00 O ATOM 780 CB VAL A 50 0.210 -6.728 -6.484 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.744 -7.620 -5.704 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.509 -7.471 -6.784 1.00 0.00 C ATOM 0 H VAL A 50 -1.346 -8.091 -7.980 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.988 -5.278 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 50 0.452 -5.861 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.252 -7.975 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.635 -7.052 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.030 -8.473 -6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.949 -7.826 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.300 -8.321 -7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.207 -6.797 -7.281 1.00 0.00 H new ATOM 792 N VAL A 51 1.129 -6.967 -9.452 1.00 0.00 N ATOM 793 CA VAL A 51 2.189 -6.843 -10.444 1.00 0.00 C ATOM 794 C VAL A 51 1.800 -5.903 -11.573 1.00 0.00 C ATOM 795 O VAL A 51 2.597 -5.065 -11.995 1.00 0.00 O ATOM 796 CB VAL A 51 2.564 -8.216 -11.037 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.750 -8.090 -11.982 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.862 -9.215 -9.927 1.00 0.00 C ATOM 0 H VAL A 51 0.816 -7.924 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 51 3.052 -6.427 -9.923 1.00 0.00 H new ATOM 0 HB VAL A 51 1.713 -8.585 -11.610 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.997 -9.071 -12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.495 -7.413 -12.797 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.608 -7.696 -11.438 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.125 -10.178 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.694 -8.852 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.981 -9.332 -9.296 1.00 0.00 H new ATOM 808 N ARG A 52 0.580 -6.048 -12.070 1.00 0.00 N ATOM 809 CA ARG A 52 0.118 -5.204 -13.159 1.00 0.00 C ATOM 810 C ARG A 52 -0.158 -3.788 -12.670 1.00 0.00 C ATOM 811 O ARG A 52 0.256 -2.812 -13.296 1.00 0.00 O ATOM 812 CB ARG A 52 -1.136 -5.788 -13.813 1.00 0.00 C ATOM 813 CG ARG A 52 -0.892 -7.109 -14.525 1.00 0.00 C ATOM 814 CD ARG A 52 -1.993 -7.415 -15.529 1.00 0.00 C ATOM 815 NE ARG A 52 -1.495 -7.426 -16.902 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.276 -7.328 -17.976 1.00 0.00 C ATOM 817 NH1 ARG A 52 -3.591 -7.212 -17.840 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.742 -7.346 -19.189 1.00 0.00 N ATOM 0 H ARG A 52 -0.100 -6.734 -11.741 1.00 0.00 H new ATOM 0 HA ARG A 52 0.911 -5.166 -13.906 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.900 -5.932 -13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.532 -5.067 -14.528 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.069 -7.075 -15.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.834 -7.913 -13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.436 -8.383 -15.297 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.785 -6.671 -15.437 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.489 -7.514 -17.047 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.008 -7.198 -16.909 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.185 -7.137 -18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.732 -7.435 -19.300 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.341 -7.271 -20.011 1.00 0.00 H new ATOM 832 N GLU A 53 -0.851 -3.684 -11.545 1.00 0.00 N ATOM 833 CA GLU A 53 -1.173 -2.390 -10.967 1.00 0.00 C ATOM 834 C GLU A 53 0.082 -1.711 -10.426 1.00 0.00 C ATOM 835 O GLU A 53 0.106 -0.495 -10.235 1.00 0.00 O ATOM 836 CB GLU A 53 -2.209 -2.547 -9.854 1.00 0.00 C ATOM 837 CG GLU A 53 -3.171 -1.375 -9.749 1.00 0.00 C ATOM 838 CD GLU A 53 -4.529 -1.669 -10.359 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.701 -2.766 -10.930 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.420 -0.798 -10.264 1.00 0.00 O ATOM 0 H GLU A 53 -1.201 -4.482 -11.015 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.593 -1.762 -11.752 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.779 -3.460 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.692 -2.668 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.299 -1.110 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.735 -0.508 -10.246 1.00 0.00 H new ATOM 847 N LEU A 54 1.127 -2.502 -10.181 1.00 0.00 N ATOM 848 CA LEU A 54 2.380 -1.967 -9.664 1.00 0.00 C ATOM 849 C LEU A 54 2.938 -0.905 -10.599 1.00 0.00 C ATOM 850 O LEU A 54 3.367 0.158 -10.159 1.00 0.00 O ATOM 851 CB LEU A 54 3.410 -3.084 -9.480 1.00 0.00 C ATOM 852 CG LEU A 54 4.162 -3.045 -8.152 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.304 -3.619 -7.034 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.485 -3.787 -8.267 1.00 0.00 C ATOM 0 H LEU A 54 1.128 -3.511 -10.332 1.00 0.00 H new ATOM 0 HA LEU A 54 2.175 -1.512 -8.695 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.903 -4.045 -9.567 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.133 -3.030 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 54 4.380 -2.006 -7.906 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.857 -3.583 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.390 -3.033 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.049 -4.653 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.008 -3.749 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.297 -4.826 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.100 -3.318 -9.035 1.00 0.00 H new ATOM 866 N GLN A 55 2.915 -1.192 -11.893 1.00 0.00 N ATOM 867 CA GLN A 55 3.407 -0.247 -12.882 1.00 0.00 C ATOM 868 C GLN A 55 2.524 0.996 -12.893 1.00 0.00 C ATOM 869 O GLN A 55 2.986 2.102 -13.175 1.00 0.00 O ATOM 870 CB GLN A 55 3.434 -0.894 -14.270 1.00 0.00 C ATOM 871 CG GLN A 55 4.836 -1.068 -14.831 1.00 0.00 C ATOM 872 CD GLN A 55 4.967 -2.307 -15.694 1.00 0.00 C ATOM 873 OE1 GLN A 55 3.986 -2.792 -16.258 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.185 -2.826 -15.803 1.00 0.00 N ATOM 0 H GLN A 55 2.563 -2.067 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 55 4.424 0.044 -12.619 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.949 -1.869 -14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.849 -0.284 -14.958 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.100 -0.190 -15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.548 -1.126 -14.008 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.970 -2.391 -15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.335 -3.659 -16.372 1.00 0.00 H new ATOM 883 N GLU A 56 1.249 0.797 -12.579 1.00 0.00 N ATOM 884 CA GLU A 56 0.283 1.886 -12.544 1.00 0.00 C ATOM 885 C GLU A 56 0.430 2.718 -11.280 1.00 0.00 C ATOM 886 O GLU A 56 0.195 3.926 -11.293 1.00 0.00 O ATOM 887 CB GLU A 56 -1.136 1.331 -12.606 1.00 0.00 C ATOM 888 CG GLU A 56 -2.192 2.378 -12.926 1.00 0.00 C ATOM 889 CD GLU A 56 -3.367 2.338 -11.965 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.545 1.304 -11.285 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.109 3.341 -11.893 1.00 0.00 O ATOM 0 H GLU A 56 0.859 -0.116 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 56 0.475 2.522 -13.408 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.176 0.546 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.376 0.867 -11.650 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.737 3.368 -12.896 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.554 2.224 -13.943 1.00 0.00 H new ATOM 898 N GLU A 57 0.785 2.064 -10.178 1.00 0.00 N ATOM 899 CA GLU A 57 0.914 2.760 -8.909 1.00 0.00 C ATOM 900 C GLU A 57 2.364 2.913 -8.459 1.00 0.00 C ATOM 901 O GLU A 57 2.626 3.393 -7.356 1.00 0.00 O ATOM 902 CB GLU A 57 0.099 2.058 -7.830 1.00 0.00 C ATOM 903 CG GLU A 57 -1.243 2.723 -7.576 1.00 0.00 C ATOM 904 CD GLU A 57 -2.349 2.128 -8.420 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.353 0.895 -8.598 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.206 2.895 -8.906 1.00 0.00 O ATOM 0 H GLU A 57 0.986 1.065 -10.141 1.00 0.00 H new ATOM 0 HA GLU A 57 0.523 3.765 -9.064 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.065 1.021 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.672 2.041 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.501 2.624 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.163 3.790 -7.786 1.00 0.00 H new ATOM 913 N VAL A 58 3.308 2.528 -9.312 1.00 0.00 N ATOM 914 CA VAL A 58 4.720 2.654 -8.978 1.00 0.00 C ATOM 915 C VAL A 58 5.490 3.258 -10.143 1.00 0.00 C ATOM 916 O VAL A 58 6.314 4.153 -9.960 1.00 0.00 O ATOM 917 CB VAL A 58 5.345 1.296 -8.608 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.775 1.480 -8.128 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.511 0.598 -7.545 1.00 0.00 C ATOM 0 H VAL A 58 3.122 2.129 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 58 4.786 3.311 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 58 5.360 0.670 -9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.200 0.510 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.368 1.938 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.784 2.124 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.967 -0.360 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.464 1.221 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.503 0.432 -7.925 1.00 0.00 H new ATOM 929 N GLY A 59 5.196 2.774 -11.344 1.00 0.00 N ATOM 930 CA GLY A 59 5.843 3.281 -12.539 1.00 0.00 C ATOM 931 C GLY A 59 7.325 2.974 -12.629 1.00 0.00 C ATOM 932 O GLY A 59 7.848 2.722 -13.714 1.00 0.00 O ATOM 0 H GLY A 59 4.515 2.033 -11.512 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.344 2.862 -13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.705 4.361 -12.581 1.00 0.00 H new ATOM 936 N ILE A 60 7.999 3.003 -11.497 1.00 0.00 N ATOM 937 CA ILE A 60 9.431 2.735 -11.448 1.00 0.00 C ATOM 938 C ILE A 60 9.702 1.241 -11.549 1.00 0.00 C ATOM 939 O ILE A 60 8.806 0.427 -11.335 1.00 0.00 O ATOM 940 CB ILE A 60 10.063 3.273 -10.140 1.00 0.00 C ATOM 941 CG1 ILE A 60 11.587 3.208 -10.205 1.00 0.00 C ATOM 942 CG2 ILE A 60 9.555 2.502 -8.928 1.00 0.00 C ATOM 943 CD1 ILE A 60 12.258 3.908 -9.047 1.00 0.00 C ATOM 0 H ILE A 60 7.579 3.210 -10.591 1.00 0.00 H new ATOM 0 HA ILE A 60 9.883 3.249 -12.297 1.00 0.00 H new ATOM 0 HB ILE A 60 9.764 4.316 -10.034 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.900 2.164 -10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.925 3.657 -11.139 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.015 2.901 -8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.472 2.604 -8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.814 1.448 -9.032 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.340 3.827 -9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 60 11.972 4.960 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.947 3.443 -8.111 1.00 0.00 H new ATOM 955 N THR A 61 10.944 0.892 -11.862 1.00 0.00 N ATOM 956 CA THR A 61 11.350 -0.495 -11.969 1.00 0.00 C ATOM 957 C THR A 61 12.143 -0.866 -10.723 1.00 0.00 C ATOM 958 O THR A 61 13.358 -0.673 -10.673 1.00 0.00 O ATOM 959 CB THR A 61 12.213 -0.666 -13.209 1.00 0.00 C ATOM 960 OG1 THR A 61 12.827 0.562 -13.564 1.00 0.00 O ATOM 961 CG2 THR A 61 11.441 -1.154 -14.413 1.00 0.00 C ATOM 0 H THR A 61 11.691 1.562 -12.047 1.00 0.00 H new ATOM 0 HA THR A 61 10.478 -1.144 -12.052 1.00 0.00 H new ATOM 0 HB THR A 61 12.955 -1.419 -12.943 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.380 0.432 -14.363 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.117 -1.254 -15.262 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.993 -2.122 -14.190 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.656 -0.438 -14.656 1.00 0.00 H new ATOM 969 N PRO A 62 11.458 -1.329 -9.667 1.00 0.00 N ATOM 970 CA PRO A 62 12.066 -1.640 -8.396 1.00 0.00 C ATOM 971 C PRO A 62 12.014 -3.105 -8.006 1.00 0.00 C ATOM 972 O PRO A 62 11.069 -3.814 -8.354 1.00 0.00 O ATOM 973 CB PRO A 62 11.105 -0.870 -7.503 1.00 0.00 C ATOM 974 CG PRO A 62 9.757 -1.156 -8.103 1.00 0.00 C ATOM 975 CD PRO A 62 10.007 -1.505 -9.556 1.00 0.00 C ATOM 0 HA PRO A 62 13.129 -1.401 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.163 -1.207 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.326 0.197 -7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.266 -1.979 -7.584 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.101 -0.290 -8.018 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.701 -2.525 -9.789 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.463 -0.846 -10.233 1.00 0.00 H new ATOM 983 N GLN A 63 12.983 -3.537 -7.204 1.00 0.00 N ATOM 984 CA GLN A 63 12.957 -4.893 -6.699 1.00 0.00 C ATOM 985 C GLN A 63 11.889 -4.901 -5.623 1.00 0.00 C ATOM 986 O GLN A 63 12.173 -4.768 -4.433 1.00 0.00 O ATOM 987 CB GLN A 63 14.315 -5.293 -6.119 1.00 0.00 C ATOM 988 CG GLN A 63 15.403 -5.448 -7.170 1.00 0.00 C ATOM 989 CD GLN A 63 16.775 -5.662 -6.560 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.716 -4.920 -6.843 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.896 -6.683 -5.719 1.00 0.00 N ATOM 0 H GLN A 63 13.778 -2.976 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 63 12.742 -5.610 -7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.627 -4.542 -5.393 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.207 -6.233 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.161 -6.291 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.424 -4.559 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.089 -7.272 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.795 -6.878 -5.279 1.00 0.00 H new ATOM 1000 N HIS A 64 10.650 -4.982 -6.077 1.00 0.00 N ATOM 1001 CA HIS A 64 9.497 -4.920 -5.199 1.00 0.00 C ATOM 1002 C HIS A 64 8.592 -6.124 -5.409 1.00 0.00 C ATOM 1003 O HIS A 64 8.222 -6.445 -6.539 1.00 0.00 O ATOM 1004 CB HIS A 64 8.765 -3.605 -5.500 1.00 0.00 C ATOM 1005 CG HIS A 64 7.309 -3.569 -5.138 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.734 -4.392 -4.194 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.306 -2.788 -5.608 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.443 -4.122 -4.103 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.160 -3.151 -4.949 1.00 0.00 N ATOM 0 H HIS A 64 10.416 -5.092 -7.064 1.00 0.00 H new ATOM 0 HA HIS A 64 9.805 -4.945 -4.154 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.272 -2.799 -4.969 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.860 -3.394 -6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.393 -2.021 -6.363 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.740 -4.613 -3.447 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.238 -2.737 -5.090 1.00 0.00 H new ATOM 1018 N PHE A 65 8.256 -6.802 -4.317 1.00 0.00 N ATOM 1019 CA PHE A 65 7.416 -7.984 -4.394 1.00 0.00 C ATOM 1020 C PHE A 65 7.113 -8.534 -2.991 1.00 0.00 C ATOM 1021 O PHE A 65 6.895 -7.768 -2.056 1.00 0.00 O ATOM 1022 CB PHE A 65 8.143 -9.023 -5.241 1.00 0.00 C ATOM 1023 CG PHE A 65 7.229 -9.932 -6.015 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.159 -9.416 -6.729 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.441 -11.301 -6.029 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.318 -10.249 -7.441 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.604 -12.139 -6.739 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.541 -11.613 -7.446 1.00 0.00 C ATOM 0 H PHE A 65 8.553 -6.552 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 65 6.459 -7.733 -4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.804 -8.509 -5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.775 -9.628 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.981 -8.351 -6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.271 -11.718 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.487 -9.835 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.781 -13.204 -6.741 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.885 -12.266 -8.002 1.00 0.00 H new ATOM 1038 N SER A 66 7.104 -9.862 -2.855 1.00 0.00 N ATOM 1039 CA SER A 66 6.843 -10.523 -1.577 1.00 0.00 C ATOM 1040 C SER A 66 5.577 -10.001 -0.913 1.00 0.00 C ATOM 1041 O SER A 66 4.941 -9.068 -1.401 1.00 0.00 O ATOM 1042 CB SER A 66 8.035 -10.338 -0.637 1.00 0.00 C ATOM 1043 OG SER A 66 8.999 -11.359 -0.826 1.00 0.00 O ATOM 0 H SER A 66 7.277 -10.507 -3.626 1.00 0.00 H new ATOM 0 HA SER A 66 6.697 -11.584 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.493 -9.365 -0.813 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.691 -10.346 0.397 1.00 0.00 H new ATOM 0 HG SER A 66 9.751 -11.216 -0.214 1.00 0.00 H new ATOM 1049 N LEU A 67 5.221 -10.608 0.215 1.00 0.00 N ATOM 1050 CA LEU A 67 4.038 -10.202 0.959 1.00 0.00 C ATOM 1051 C LEU A 67 4.278 -10.298 2.463 1.00 0.00 C ATOM 1052 O LEU A 67 4.588 -11.368 2.987 1.00 0.00 O ATOM 1053 CB LEU A 67 2.824 -11.046 0.546 1.00 0.00 C ATOM 1054 CG LEU A 67 2.609 -12.336 1.342 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.840 -12.051 2.624 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.875 -13.362 0.494 1.00 0.00 C ATOM 0 H LEU A 67 5.736 -11.383 0.632 1.00 0.00 H new ATOM 0 HA LEU A 67 3.828 -9.160 0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.929 -10.431 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.926 -11.304 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 67 3.583 -12.744 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.697 -12.980 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.403 -11.347 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.869 -11.622 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.729 -14.274 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.906 -12.962 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.463 -13.587 -0.396 1.00 0.00 H new ATOM 1068 N PHE A 68 4.131 -9.171 3.153 1.00 0.00 N ATOM 1069 CA PHE A 68 4.329 -9.131 4.595 1.00 0.00 C ATOM 1070 C PHE A 68 3.117 -9.729 5.307 1.00 0.00 C ATOM 1071 O PHE A 68 3.256 -10.517 6.243 1.00 0.00 O ATOM 1072 CB PHE A 68 4.597 -7.685 5.053 1.00 0.00 C ATOM 1073 CG PHE A 68 3.582 -7.114 6.011 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.349 -6.675 5.558 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.872 -7.004 7.362 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.422 -6.140 6.434 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.950 -6.467 8.241 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.724 -6.034 7.776 1.00 0.00 C ATOM 0 H PHE A 68 3.876 -8.276 2.736 1.00 0.00 H new ATOM 0 HA PHE A 68 5.201 -9.731 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.579 -7.647 5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.641 -7.045 4.172 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.108 -6.751 4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.829 -7.342 7.732 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.463 -5.806 6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.189 -6.386 9.291 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.003 -5.613 8.461 1.00 0.00 H new ATOM 1088 N GLU A 69 1.931 -9.352 4.843 1.00 0.00 N ATOM 1089 CA GLU A 69 0.687 -9.850 5.414 1.00 0.00 C ATOM 1090 C GLU A 69 -0.502 -9.417 4.562 1.00 0.00 C ATOM 1091 O GLU A 69 -0.626 -8.249 4.202 1.00 0.00 O ATOM 1092 CB GLU A 69 0.518 -9.346 6.850 1.00 0.00 C ATOM 1093 CG GLU A 69 0.763 -10.417 7.900 1.00 0.00 C ATOM 1094 CD GLU A 69 0.054 -10.124 9.209 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.236 -8.938 9.473 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.212 -11.080 9.967 1.00 0.00 O ATOM 0 H GLU A 69 1.806 -8.700 4.069 1.00 0.00 H new ATOM 0 HA GLU A 69 0.728 -10.939 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.206 -8.518 7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.491 -8.952 6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.426 -11.380 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.834 -10.503 8.083 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.379 -10.359 4.247 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.557 -10.059 3.442 1.00 0.00 C ATOM 1105 C LYS A 70 -3.829 -10.347 4.234 1.00 0.00 C ATOM 1106 O LYS A 70 -4.139 -11.502 4.526 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.546 -10.885 2.153 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.206 -12.349 2.373 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.966 -13.248 1.410 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.783 -14.716 1.756 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.733 -15.358 0.917 1.00 0.00 N ATOM 0 H LYS A 70 -1.299 -11.334 4.535 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.536 -9.001 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.525 -10.815 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.824 -10.453 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.134 -12.498 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.445 -12.629 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.026 -12.997 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.620 -13.067 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.515 -14.810 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.728 -15.242 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.639 -16.359 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.001 -15.291 -0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.825 -14.873 1.066 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.556 -9.293 4.589 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.784 -9.438 5.357 1.00 0.00 C ATOM 1127 C LEU A 71 -7.008 -9.427 4.445 1.00 0.00 C ATOM 1128 O LEU A 71 -7.061 -8.682 3.467 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.884 -8.312 6.387 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.208 -8.246 7.148 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.040 -8.770 8.566 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.747 -6.823 7.162 1.00 0.00 C ATOM 0 H LEU A 71 -4.315 -8.330 4.356 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.757 -10.399 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.074 -8.426 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.727 -7.361 5.879 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.930 -8.881 6.634 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.994 -8.714 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.704 -9.806 8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.301 -8.165 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.690 -6.796 7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.027 -6.166 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.911 -6.486 6.138 1.00 0.00 H new ATOM 1144 N GLU A 72 -7.991 -10.257 4.778 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.218 -10.348 3.999 1.00 0.00 C ATOM 1146 C GLU A 72 -10.434 -10.435 4.922 1.00 0.00 C ATOM 1147 O GLU A 72 -10.647 -11.447 5.590 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.157 -11.566 3.069 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.519 -12.087 2.640 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.471 -12.821 1.313 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.579 -13.677 1.140 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.328 -12.540 0.449 1.00 0.00 O ATOM 0 H GLU A 72 -7.960 -10.878 5.586 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.317 -9.448 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.584 -11.303 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.615 -12.367 3.572 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.906 -12.757 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.216 -11.252 2.564 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.227 -9.369 4.951 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.422 -9.322 5.787 1.00 0.00 C ATOM 1161 C TYR A 73 -13.586 -8.696 5.028 1.00 0.00 C ATOM 1162 O TYR A 73 -13.384 -7.850 4.158 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.145 -8.530 7.066 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.737 -7.094 6.817 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.569 -6.793 6.127 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.521 -6.041 7.271 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.195 -5.483 5.898 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.152 -4.728 7.045 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.989 -4.455 6.359 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.618 -3.149 6.134 1.00 0.00 O ATOM 0 H TYR A 73 -11.063 -8.524 4.404 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.691 -10.344 6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.038 -8.541 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.357 -9.030 7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.944 -7.596 5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.433 -6.251 7.809 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.284 -5.265 5.360 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.772 -3.920 7.404 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.676 -2.644 6.972 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.803 -9.112 5.356 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.988 -8.581 4.690 1.00 0.00 C ATOM 1182 C GLU A 74 -16.915 -7.880 5.674 1.00 0.00 C ATOM 1183 O GLU A 74 -17.124 -8.344 6.796 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.749 -9.695 3.964 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.803 -11.004 4.733 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.206 -12.176 3.859 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.649 -12.309 2.749 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.079 -12.961 4.285 1.00 0.00 O ATOM 0 H GLU A 74 -14.996 -9.810 6.074 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.647 -7.848 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.767 -9.358 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.279 -9.872 2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.826 -11.203 5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.511 -10.909 5.556 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.468 -6.758 5.234 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.381 -5.969 6.042 1.00 0.00 C ATOM 1197 C PHE A 75 -19.821 -6.200 5.588 1.00 0.00 C ATOM 1198 O PHE A 75 -20.054 -6.696 4.486 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.022 -4.487 5.926 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.283 -3.947 7.118 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.973 -4.326 7.366 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.896 -3.062 7.990 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.290 -3.833 8.461 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.219 -2.566 9.087 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.914 -2.951 9.323 1.00 0.00 C ATOM 0 H PHE A 75 -17.295 -6.371 4.306 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.292 -6.277 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.412 -4.339 5.035 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.937 -3.911 5.786 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.481 -5.015 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.916 -2.756 7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.270 -4.136 8.643 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.710 -1.878 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.382 -2.564 10.179 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.808 -5.843 6.428 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.227 -6.010 6.106 1.00 0.00 C ATOM 1217 C PRO A 76 -22.594 -5.363 4.775 1.00 0.00 C ATOM 1218 O PRO A 76 -23.101 -4.242 4.737 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.959 -5.314 7.264 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.915 -4.520 7.975 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.620 -5.244 7.750 1.00 0.00 C ATOM 0 HA PRO A 76 -22.494 -7.061 5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.757 -4.671 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.420 -6.042 7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.866 -3.503 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.140 -4.444 9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.768 -4.564 7.768 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.441 -6.000 8.515 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.324 -6.089 3.692 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.608 -5.628 2.327 1.00 0.00 C ATOM 1231 C ASP A 77 -21.391 -4.946 1.701 1.00 0.00 C ATOM 1232 O ASP A 77 -21.487 -4.363 0.621 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.811 -4.679 2.294 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.536 -4.711 0.962 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -23.855 -4.689 -0.085 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.784 -4.757 0.967 1.00 0.00 O ATOM 0 H ASP A 77 -21.901 -7.016 3.732 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.849 -6.514 1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.506 -4.949 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.474 -3.662 2.497 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.246 -5.025 2.376 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.019 -4.420 1.870 1.00 0.00 C ATOM 1243 C ARG A 78 -17.832 -5.358 2.068 1.00 0.00 C ATOM 1244 O ARG A 78 -17.202 -5.359 3.124 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.754 -3.088 2.578 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.695 -2.235 1.896 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.510 -0.900 2.604 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.003 -1.061 3.967 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.381 -0.098 4.647 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.181 1.092 4.093 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.957 -0.323 5.884 1.00 0.00 N ATOM 0 H ARG A 78 -20.144 -5.501 3.272 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.144 -4.238 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.685 -2.523 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.443 -3.287 3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.748 -2.774 1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.980 -2.061 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.819 -0.281 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.463 -0.371 2.633 1.00 0.00 H new ATOM 0 HE ARG A 78 -17.133 -1.964 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.504 1.273 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.704 1.825 4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.107 -1.235 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.481 0.416 6.402 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.525 -6.154 1.047 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.410 -7.091 1.124 1.00 0.00 C ATOM 1267 C HIS A 79 -15.104 -6.405 0.748 1.00 0.00 C ATOM 1268 O HIS A 79 -14.894 -6.041 -0.407 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.654 -8.288 0.205 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.745 -9.446 0.479 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.686 -9.380 1.362 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.738 -10.705 -0.019 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.069 -10.547 1.393 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.687 -11.369 0.565 1.00 0.00 N ATOM 0 H HIS A 79 -18.030 -6.169 0.161 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.334 -7.445 2.152 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.688 -8.614 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.526 -7.973 -0.831 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.430 -11.112 -0.741 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.205 -10.788 1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.426 -12.339 0.388 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.227 -6.225 1.730 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.950 -5.578 1.497 1.00 0.00 C ATOM 1285 C ILE A 80 -11.804 -6.582 1.557 1.00 0.00 C ATOM 1286 O ILE A 80 -11.835 -7.539 2.328 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.696 -4.456 2.529 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.244 -3.986 2.457 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.030 -4.934 3.933 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.910 -2.879 3.431 1.00 0.00 C ATOM 0 H ILE A 80 -14.382 -6.520 2.694 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.991 -5.142 0.499 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.346 -3.615 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.588 -4.835 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.034 -3.642 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.844 -4.130 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.080 -5.224 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.406 -5.792 4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.862 -2.600 3.319 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.540 -2.013 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.087 -3.225 4.449 1.00 0.00 H new ATOM 1302 N THR A 81 -10.784 -6.337 0.748 1.00 0.00 N ATOM 1303 CA THR A 81 -9.608 -7.194 0.714 1.00 0.00 C ATOM 1304 C THR A 81 -8.352 -6.335 0.728 1.00 0.00 C ATOM 1305 O THR A 81 -8.133 -5.528 -0.174 1.00 0.00 O ATOM 1306 CB THR A 81 -9.630 -8.089 -0.529 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.871 -7.980 -1.204 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.406 -9.551 -0.216 1.00 0.00 C ATOM 0 H THR A 81 -10.747 -5.548 0.103 1.00 0.00 H new ATOM 0 HA THR A 81 -9.611 -7.837 1.594 1.00 0.00 H new ATOM 0 HB THR A 81 -8.809 -7.737 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.227 -8.876 -1.381 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.434 -10.129 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.434 -9.676 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.189 -9.903 0.456 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.533 -6.497 1.760 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.312 -5.713 1.881 1.00 0.00 C ATOM 1318 C LEU A 82 -5.080 -6.608 1.891 1.00 0.00 C ATOM 1319 O LEU A 82 -4.866 -7.379 2.826 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.357 -4.873 3.161 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.001 -3.395 2.986 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.864 -2.757 1.911 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.152 -2.653 4.306 1.00 0.00 C ATOM 0 H LEU A 82 -7.691 -7.159 2.520 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.245 -5.054 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.359 -4.941 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.673 -5.311 3.888 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.960 -3.328 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.594 -1.706 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.704 -3.272 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.914 -2.835 2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.895 -1.603 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.183 -2.731 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.486 -3.093 5.049 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.262 -6.487 0.850 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.042 -7.272 0.748 1.00 0.00 C ATOM 1337 C TRP A 83 -1.830 -6.373 0.900 1.00 0.00 C ATOM 1338 O TRP A 83 -1.642 -5.427 0.135 1.00 0.00 O ATOM 1339 CB TRP A 83 -2.967 -8.006 -0.594 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.061 -9.006 -0.786 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.354 -8.879 -0.388 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -3.958 -10.285 -1.425 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.070 -9.996 -0.738 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.234 -10.876 -1.376 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -2.913 -10.987 -2.032 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.494 -12.135 -1.911 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.171 -12.236 -2.564 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.453 -12.799 -2.501 1.00 0.00 C ATOM 0 H TRP A 83 -4.424 -5.853 0.067 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.052 -8.012 1.548 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.007 -7.275 -1.402 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.005 -8.512 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.760 -8.022 0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.062 -10.147 -0.554 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.922 -10.561 -2.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.481 -12.571 -1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.371 -12.788 -3.036 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.623 -13.777 -2.927 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.003 -6.682 1.882 1.00 0.00 N ATOM 1360 CA PHE A 84 0.206 -5.905 2.125 1.00 0.00 C ATOM 1361 C PHE A 84 1.432 -6.691 1.667 1.00 0.00 C ATOM 1362 O PHE A 84 1.756 -7.738 2.226 1.00 0.00 O ATOM 1363 CB PHE A 84 0.332 -5.518 3.604 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.710 -4.536 4.070 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.058 -4.808 3.899 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.344 -3.341 4.678 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.019 -3.914 4.324 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.305 -2.442 5.102 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.643 -2.729 4.926 1.00 0.00 C ATOM 0 H PHE A 84 -1.143 -7.462 2.524 1.00 0.00 H new ATOM 0 HA PHE A 84 0.141 -4.982 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.264 -6.420 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.321 -5.092 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.360 -5.731 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.702 -3.112 4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.066 -4.141 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.008 -1.515 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.395 -2.029 5.258 1.00 0.00 H new ATOM 1379 N TRP A 85 2.093 -6.188 0.629 1.00 0.00 N ATOM 1380 CA TRP A 85 3.267 -6.850 0.070 1.00 0.00 C ATOM 1381 C TRP A 85 4.560 -6.293 0.656 1.00 0.00 C ATOM 1382 O TRP A 85 4.639 -5.114 1.002 1.00 0.00 O ATOM 1383 CB TRP A 85 3.275 -6.705 -1.453 1.00 0.00 C ATOM 1384 CG TRP A 85 2.217 -7.525 -2.128 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.871 -7.459 -1.911 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.416 -8.535 -3.124 1.00 0.00 C ATOM 1387 NE1 TRP A 85 0.220 -8.366 -2.712 1.00 0.00 N ATOM 1388 CE2 TRP A 85 1.147 -9.037 -3.466 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.543 -9.062 -3.761 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.974 -10.041 -4.417 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.370 -10.058 -4.704 1.00 0.00 C ATOM 1392 CH2 TRP A 85 2.094 -10.538 -5.025 1.00 0.00 C ATOM 0 H TRP A 85 1.835 -5.322 0.157 1.00 0.00 H new ATOM 0 HA TRP A 85 3.211 -7.906 0.334 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.134 -5.656 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.253 -6.999 -1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.388 -6.792 -1.212 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.789 -8.515 -2.741 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.531 -8.698 -3.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.009 -10.413 -4.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.234 -10.473 -5.202 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.992 -11.316 -5.767 1.00 0.00 H new ATOM 1403 N LEU A 86 5.576 -7.150 0.766 1.00 0.00 N ATOM 1404 CA LEU A 86 6.862 -6.734 1.309 1.00 0.00 C ATOM 1405 C LEU A 86 7.812 -6.328 0.187 1.00 0.00 C ATOM 1406 O LEU A 86 8.387 -7.169 -0.501 1.00 0.00 O ATOM 1407 CB LEU A 86 7.474 -7.861 2.143 1.00 0.00 C ATOM 1408 CG LEU A 86 8.844 -7.558 2.759 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.944 -7.706 1.720 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.865 -6.162 3.368 1.00 0.00 C ATOM 0 H LEU A 86 5.531 -8.130 0.487 1.00 0.00 H new ATOM 0 HA LEU A 86 6.702 -5.869 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.781 -8.112 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.566 -8.746 1.514 1.00 0.00 H new ATOM 0 HG LEU A 86 9.026 -8.280 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.909 -7.487 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.948 -8.726 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.765 -7.011 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.847 -5.968 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.657 -5.424 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.106 -6.094 4.148 1.00 0.00 H new ATOM 1422 N VAL A 87 7.961 -5.025 0.021 1.00 0.00 N ATOM 1423 CA VAL A 87 8.819 -4.448 -1.009 1.00 0.00 C ATOM 1424 C VAL A 87 10.224 -4.240 -0.514 1.00 0.00 C ATOM 1425 O VAL A 87 10.434 -3.937 0.660 1.00 0.00 O ATOM 1426 CB VAL A 87 8.300 -3.091 -1.446 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.028 -2.605 -2.686 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.796 -3.148 -1.666 1.00 0.00 C ATOM 0 H VAL A 87 7.489 -4.330 0.599 1.00 0.00 H new ATOM 0 HA VAL A 87 8.814 -5.156 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 87 8.497 -2.370 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.637 -1.630 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.093 -2.520 -2.472 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.877 -3.315 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.437 -2.168 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.569 -3.882 -2.439 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.303 -3.435 -0.737 1.00 0.00 H new ATOM 1438 N GLU A 88 11.195 -4.415 -1.396 1.00 0.00 N ATOM 1439 CA GLU A 88 12.573 -4.240 -0.987 1.00 0.00 C ATOM 1440 C GLU A 88 13.178 -2.878 -1.375 1.00 0.00 C ATOM 1441 O GLU A 88 13.635 -2.141 -0.500 1.00 0.00 O ATOM 1442 CB GLU A 88 13.440 -5.374 -1.537 1.00 0.00 C ATOM 1443 CG GLU A 88 14.845 -5.403 -0.958 1.00 0.00 C ATOM 1444 CD GLU A 88 15.320 -6.809 -0.651 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.794 -7.492 -1.583 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.218 -7.228 0.521 1.00 0.00 O ATOM 0 H GLU A 88 11.058 -4.671 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 88 12.563 -4.267 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.951 -6.326 -1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.505 -5.277 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.534 -4.936 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.870 -4.808 -0.045 1.00 0.00 H new ATOM 1453 N ARG A 89 13.223 -2.553 -2.670 1.00 0.00 N ATOM 1454 CA ARG A 89 13.824 -1.289 -3.111 1.00 0.00 C ATOM 1455 C ARG A 89 13.421 -0.925 -4.537 1.00 0.00 C ATOM 1456 O ARG A 89 12.912 -1.762 -5.281 1.00 0.00 O ATOM 1457 CB ARG A 89 15.348 -1.371 -3.012 1.00 0.00 C ATOM 1458 CG ARG A 89 15.944 -2.552 -3.761 1.00 0.00 C ATOM 1459 CD ARG A 89 17.366 -2.839 -3.307 1.00 0.00 C ATOM 1460 NE ARG A 89 18.346 -2.036 -4.036 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.659 -2.099 -3.825 1.00 0.00 C ATOM 1462 NH1 ARG A 89 20.152 -2.924 -2.910 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.481 -1.334 -4.531 1.00 0.00 N ATOM 0 H ARG A 89 12.857 -3.137 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 89 13.450 -0.506 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.779 -0.449 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.633 -1.437 -1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.325 -3.435 -3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.937 -2.346 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.454 -2.637 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.586 -3.897 -3.450 1.00 0.00 H new ATOM 0 HE ARG A 89 18.004 -1.390 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.524 -3.514 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 89 21.159 -2.968 -2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.107 -0.698 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.487 -1.382 -4.370 1.00 0.00 H new ATOM 1477 N TRP A 90 13.676 0.330 -4.919 1.00 0.00 N ATOM 1478 CA TRP A 90 13.357 0.795 -6.266 1.00 0.00 C ATOM 1479 C TRP A 90 14.575 1.404 -6.954 1.00 0.00 C ATOM 1480 O TRP A 90 15.575 1.716 -6.306 1.00 0.00 O ATOM 1481 CB TRP A 90 12.207 1.803 -6.242 1.00 0.00 C ATOM 1482 CG TRP A 90 12.412 2.942 -5.298 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.993 4.146 -5.572 1.00 0.00 C ATOM 1484 CD2 TRP A 90 12.018 2.986 -3.928 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.987 4.936 -4.447 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.391 4.243 -3.425 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.385 2.079 -3.079 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.146 4.617 -2.106 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.142 2.449 -1.774 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.520 3.707 -1.297 1.00 0.00 C ATOM 0 H TRP A 90 14.100 1.036 -4.317 1.00 0.00 H new ATOM 0 HA TRP A 90 13.045 -0.077 -6.840 1.00 0.00 H new ATOM 0 HB2 TRP A 90 12.065 2.200 -7.247 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.288 1.283 -5.972 1.00 0.00 H new ATOM 0 HD1 TRP A 90 13.398 4.435 -6.531 1.00 0.00 H new ATOM 0 HE1 TRP A 90 13.364 5.882 -4.383 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.090 1.104 -3.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.439 5.588 -1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.651 1.755 -1.108 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.314 3.967 -0.269 1.00 0.00 H new ATOM 1501 N GLU A 91 14.484 1.568 -8.276 1.00 0.00 N ATOM 1502 CA GLU A 91 15.582 2.136 -9.051 1.00 0.00 C ATOM 1503 C GLU A 91 15.285 3.580 -9.438 1.00 0.00 C ATOM 1504 O GLU A 91 14.609 3.840 -10.432 1.00 0.00 O ATOM 1505 CB GLU A 91 15.832 1.300 -10.307 1.00 0.00 C ATOM 1506 CG GLU A 91 17.005 1.789 -11.141 1.00 0.00 C ATOM 1507 CD GLU A 91 17.364 0.832 -12.260 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.825 -0.289 -11.958 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.185 1.203 -13.439 1.00 0.00 O ATOM 0 H GLU A 91 13.664 1.316 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 91 16.477 2.123 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.011 0.265 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.932 1.306 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.763 2.764 -11.565 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.872 1.929 -10.495 1.00 0.00 H new ATOM 1516 N GLY A 92 15.791 4.516 -8.642 1.00 0.00 N ATOM 1517 CA GLY A 92 15.564 5.921 -8.914 1.00 0.00 C ATOM 1518 C GLY A 92 14.528 6.522 -7.988 1.00 0.00 C ATOM 1519 O GLY A 92 14.760 6.650 -6.785 1.00 0.00 O ATOM 0 H GLY A 92 16.354 4.325 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.502 6.466 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.239 6.042 -9.947 1.00 0.00 H new ATOM 1523 N GLU A 93 13.381 6.884 -8.546 1.00 0.00 N ATOM 1524 CA GLU A 93 12.302 7.468 -7.759 1.00 0.00 C ATOM 1525 C GLU A 93 10.958 6.833 -8.109 1.00 0.00 C ATOM 1526 O GLU A 93 10.596 6.742 -9.282 1.00 0.00 O ATOM 1527 CB GLU A 93 12.231 8.976 -7.981 1.00 0.00 C ATOM 1528 CG GLU A 93 11.166 9.643 -7.134 1.00 0.00 C ATOM 1529 CD GLU A 93 11.452 11.109 -6.876 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.638 11.460 -6.702 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.491 11.906 -6.849 1.00 0.00 O ATOM 0 H GLU A 93 13.173 6.784 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 93 12.516 7.271 -6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.201 9.419 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.029 9.175 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.201 9.548 -7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.086 9.120 -6.181 1.00 0.00 H new ATOM 1538 N PRO A 94 10.185 6.396 -7.094 1.00 0.00 N ATOM 1539 CA PRO A 94 8.875 5.788 -7.304 1.00 0.00 C ATOM 1540 C PRO A 94 7.821 6.838 -7.622 1.00 0.00 C ATOM 1541 O PRO A 94 7.681 7.822 -6.896 1.00 0.00 O ATOM 1542 CB PRO A 94 8.560 5.103 -5.960 1.00 0.00 C ATOM 1543 CG PRO A 94 9.775 5.292 -5.107 1.00 0.00 C ATOM 1544 CD PRO A 94 10.506 6.477 -5.667 1.00 0.00 C ATOM 0 HA PRO A 94 8.875 5.097 -8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.682 5.547 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.344 4.044 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.497 5.463 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 94 10.405 4.403 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 94 10.163 7.413 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.579 6.415 -5.487 1.00 0.00 H new ATOM 1552 N TRP A 95 7.076 6.632 -8.701 1.00 0.00 N ATOM 1553 CA TRP A 95 6.041 7.582 -9.082 1.00 0.00 C ATOM 1554 C TRP A 95 4.685 6.911 -9.179 1.00 0.00 C ATOM 1555 O TRP A 95 3.772 7.204 -8.407 1.00 0.00 O ATOM 1556 CB TRP A 95 6.367 8.254 -10.417 1.00 0.00 C ATOM 1557 CG TRP A 95 6.966 7.343 -11.455 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.267 6.955 -11.540 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.292 6.718 -12.561 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.459 6.155 -12.641 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.262 5.994 -13.284 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.968 6.703 -13.013 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.951 5.273 -14.435 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.661 5.982 -14.153 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.649 5.280 -14.854 1.00 0.00 C ATOM 0 H TRP A 95 7.168 5.826 -9.320 1.00 0.00 H new ATOM 0 HA TRP A 95 6.007 8.341 -8.301 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.453 8.690 -10.821 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.058 9.077 -10.234 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.040 7.236 -10.841 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.348 5.748 -12.931 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.199 7.245 -12.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.710 4.728 -14.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.641 5.960 -14.508 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.377 4.732 -15.744 1.00 0.00 H new ATOM 1576 N GLY A 96 4.564 6.011 -10.138 1.00 0.00 N ATOM 1577 CA GLY A 96 3.316 5.303 -10.334 1.00 0.00 C ATOM 1578 C GLY A 96 2.111 6.222 -10.414 1.00 0.00 C ATOM 1579 O GLY A 96 2.012 7.051 -11.319 1.00 0.00 O ATOM 0 H GLY A 96 5.308 5.756 -10.787 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.379 4.717 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.173 4.599 -9.515 1.00 0.00 H new ATOM 1583 N LYS A 97 1.192 6.071 -9.461 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.018 6.887 -9.421 1.00 0.00 C ATOM 1585 C LYS A 97 -0.930 6.471 -8.264 1.00 0.00 C ATOM 1586 O LYS A 97 -2.154 6.502 -8.386 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.777 6.779 -10.747 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.156 8.126 -11.342 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.322 8.755 -10.599 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.246 10.273 -10.627 1.00 0.00 C ATOM 1591 NZ LYS A 97 -1.644 10.823 -9.381 1.00 0.00 N ATOM 0 H LYS A 97 1.264 5.389 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 97 0.284 7.922 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.163 6.234 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.682 6.192 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.297 8.796 -11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.418 8.000 -12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.260 8.428 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.326 8.409 -9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.655 10.591 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.247 10.684 -10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.610 11.861 -9.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.221 10.541 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.679 10.451 -9.268 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.327 6.087 -7.140 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.086 5.671 -5.957 1.00 0.00 C ATOM 1607 C GLU A 98 -2.167 6.696 -5.613 1.00 0.00 C ATOM 1608 O GLU A 98 -3.224 6.341 -5.093 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.153 5.458 -4.753 1.00 0.00 C ATOM 1610 CG GLU A 98 1.199 6.150 -4.870 1.00 0.00 C ATOM 1611 CD GLU A 98 1.082 7.615 -5.242 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.705 8.420 -4.368 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.367 7.956 -6.410 1.00 0.00 O ATOM 0 H GLU A 98 0.686 6.055 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.571 4.723 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.654 5.817 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.011 4.388 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.729 6.062 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.800 5.637 -5.620 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.907 7.964 -5.926 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.886 9.005 -5.658 1.00 0.00 C ATOM 1622 C GLY A 99 -2.391 10.082 -4.708 1.00 0.00 C ATOM 1623 O GLY A 99 -2.889 11.209 -4.734 1.00 0.00 O ATOM 0 H GLY A 99 -1.041 8.288 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.175 9.470 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.783 8.548 -5.239 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.426 9.746 -3.859 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.895 10.710 -2.896 1.00 0.00 C ATOM 1629 C GLN A 100 0.620 10.610 -2.774 1.00 0.00 C ATOM 1630 O GLN A 100 1.151 9.622 -2.270 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.544 10.508 -1.522 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.948 9.068 -1.237 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.408 8.802 -1.544 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.914 9.187 -2.598 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.095 8.138 -0.621 1.00 0.00 N ATOM 0 H GLN A 100 -0.997 8.822 -3.816 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.137 11.706 -3.266 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.849 10.840 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.427 11.144 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.327 8.396 -1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.753 8.840 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.636 7.837 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.082 7.929 -0.772 1.00 0.00 H new ATOM 1644 N PRO A 101 1.337 11.651 -3.228 1.00 0.00 N ATOM 1645 CA PRO A 101 2.799 11.699 -3.164 1.00 0.00 C ATOM 1646 C PRO A 101 3.343 11.214 -1.821 1.00 0.00 C ATOM 1647 O PRO A 101 2.724 11.425 -0.778 1.00 0.00 O ATOM 1648 CB PRO A 101 3.079 13.186 -3.345 1.00 0.00 C ATOM 1649 CG PRO A 101 1.999 13.648 -4.253 1.00 0.00 C ATOM 1650 CD PRO A 101 0.777 12.878 -3.840 1.00 0.00 C ATOM 0 HA PRO A 101 3.273 11.053 -3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.053 13.716 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.065 13.357 -3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.838 14.722 -4.158 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.252 13.455 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.169 13.439 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.140 12.647 -4.694 1.00 0.00 H new ATOM 1658 N GLY A 102 4.500 10.559 -1.856 1.00 0.00 N ATOM 1659 CA GLY A 102 5.101 10.050 -0.636 1.00 0.00 C ATOM 1660 C GLY A 102 6.585 10.353 -0.539 1.00 0.00 C ATOM 1661 O GLY A 102 7.171 10.926 -1.457 1.00 0.00 O ATOM 0 H GLY A 102 5.031 10.372 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.590 10.483 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.951 8.972 -0.585 1.00 0.00 H new ATOM 1665 N GLU A 103 7.191 9.960 0.579 1.00 0.00 N ATOM 1666 CA GLU A 103 8.617 10.180 0.806 1.00 0.00 C ATOM 1667 C GLU A 103 9.215 9.009 1.584 1.00 0.00 C ATOM 1668 O GLU A 103 8.498 8.288 2.276 1.00 0.00 O ATOM 1669 CB GLU A 103 8.840 11.485 1.571 1.00 0.00 C ATOM 1670 CG GLU A 103 8.188 11.506 2.944 1.00 0.00 C ATOM 1671 CD GLU A 103 8.968 12.333 3.948 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.031 13.569 3.776 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.516 11.746 4.903 1.00 0.00 O ATOM 0 H GLU A 103 6.714 9.485 1.345 1.00 0.00 H new ATOM 0 HA GLU A 103 9.114 10.252 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.911 11.651 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.450 12.314 0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.178 11.906 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.096 10.485 3.314 1.00 0.00 H new ATOM 1680 N TRP A 104 10.529 8.818 1.468 1.00 0.00 N ATOM 1681 CA TRP A 104 11.191 7.721 2.175 1.00 0.00 C ATOM 1682 C TRP A 104 11.067 7.918 3.682 1.00 0.00 C ATOM 1683 O TRP A 104 11.728 8.779 4.263 1.00 0.00 O ATOM 1684 CB TRP A 104 12.676 7.619 1.780 1.00 0.00 C ATOM 1685 CG TRP A 104 12.983 8.152 0.412 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.361 7.814 -0.755 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.984 9.117 0.070 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.917 8.509 -1.803 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.913 9.316 -1.322 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.932 9.834 0.807 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.756 10.201 -1.990 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.767 10.711 0.141 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.674 10.889 -1.245 1.00 0.00 C ATOM 0 H TRP A 104 11.148 9.398 0.901 1.00 0.00 H new ATOM 0 HA TRP A 104 10.698 6.791 1.890 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.274 8.161 2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.983 6.574 1.829 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.551 7.105 -0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.634 8.435 -2.780 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.010 9.705 1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.687 10.339 -3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.504 11.269 0.699 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.340 11.583 -1.735 1.00 0.00 H new ATOM 1704 N MET A 105 10.214 7.114 4.311 1.00 0.00 N ATOM 1705 CA MET A 105 10.002 7.198 5.755 1.00 0.00 C ATOM 1706 C MET A 105 10.349 5.881 6.436 1.00 0.00 C ATOM 1707 O MET A 105 10.311 4.823 5.813 1.00 0.00 O ATOM 1708 CB MET A 105 8.553 7.579 6.074 1.00 0.00 C ATOM 1709 CG MET A 105 7.884 8.420 4.998 1.00 0.00 C ATOM 1710 SD MET A 105 6.785 9.676 5.680 1.00 0.00 S ATOM 1711 CE MET A 105 5.378 8.674 6.154 1.00 0.00 C ATOM 0 H MET A 105 9.658 6.397 3.845 1.00 0.00 H new ATOM 0 HA MET A 105 10.663 7.975 6.138 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.973 6.668 6.222 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.531 8.128 7.016 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.650 8.904 4.392 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.316 7.768 4.334 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.851 9.154 6.978 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.704 8.568 5.304 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.722 7.689 6.469 1.00 0.00 H new ATOM 1721 N SER A 106 10.672 5.952 7.720 1.00 0.00 N ATOM 1722 CA SER A 106 11.017 4.760 8.488 1.00 0.00 C ATOM 1723 C SER A 106 9.764 3.976 8.866 1.00 0.00 C ATOM 1724 O SER A 106 8.914 4.467 9.608 1.00 0.00 O ATOM 1725 CB SER A 106 11.796 5.145 9.750 1.00 0.00 C ATOM 1726 OG SER A 106 11.795 6.549 9.945 1.00 0.00 O ATOM 0 H SER A 106 10.703 6.821 8.253 1.00 0.00 H new ATOM 0 HA SER A 106 11.646 4.125 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.354 4.655 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.822 4.787 9.670 1.00 0.00 H new ATOM 0 HG SER A 106 12.529 6.951 9.435 1.00 0.00 H new ATOM 1732 N LEU A 107 9.655 2.756 8.349 1.00 0.00 N ATOM 1733 CA LEU A 107 8.498 1.909 8.638 1.00 0.00 C ATOM 1734 C LEU A 107 8.393 1.600 10.129 1.00 0.00 C ATOM 1735 O LEU A 107 7.334 1.209 10.618 1.00 0.00 O ATOM 1736 CB LEU A 107 8.566 0.605 7.841 1.00 0.00 C ATOM 1737 CG LEU A 107 7.210 -0.047 7.548 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.642 -0.688 8.804 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.233 0.977 6.983 1.00 0.00 C ATOM 0 H LEU A 107 10.348 2.332 7.732 1.00 0.00 H new ATOM 0 HA LEU A 107 7.608 2.462 8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.070 0.801 6.895 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.183 -0.107 8.389 1.00 0.00 H new ATOM 0 HG LEU A 107 7.360 -0.827 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.679 -1.145 8.576 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.330 -1.452 9.166 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.509 0.073 9.573 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.276 0.495 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.089 1.780 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.633 1.390 6.057 1.00 0.00 H new ATOM 1751 N VAL A 108 9.496 1.780 10.851 1.00 0.00 N ATOM 1752 CA VAL A 108 9.523 1.524 12.286 1.00 0.00 C ATOM 1753 C VAL A 108 8.560 2.442 13.041 1.00 0.00 C ATOM 1754 O VAL A 108 8.393 2.313 14.255 1.00 0.00 O ATOM 1755 CB VAL A 108 10.945 1.704 12.857 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.429 3.133 12.658 1.00 0.00 C ATOM 1757 CG2 VAL A 108 10.986 1.317 14.328 1.00 0.00 C ATOM 0 H VAL A 108 10.383 2.102 10.464 1.00 0.00 H new ATOM 0 HA VAL A 108 9.206 0.490 12.426 1.00 0.00 H new ATOM 0 HB VAL A 108 11.618 1.041 12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.434 3.237 13.068 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.445 3.367 11.593 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.755 3.820 13.170 1.00 0.00 H new ATOM 0 HG21 VAL A 108 11.997 1.451 14.711 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.298 1.949 14.890 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.692 0.273 14.438 1.00 0.00 H new ATOM 1767 N GLY A 109 7.923 3.364 12.323 1.00 0.00 N ATOM 1768 CA GLY A 109 6.990 4.275 12.946 1.00 0.00 C ATOM 1769 C GLY A 109 5.658 4.302 12.227 1.00 0.00 C ATOM 1770 O GLY A 109 5.125 5.370 11.925 1.00 0.00 O ATOM 0 H GLY A 109 8.040 3.493 11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.836 3.982 13.984 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.416 5.278 12.958 1.00 0.00 H new ATOM 1774 N LEU A 110 5.121 3.119 11.953 1.00 0.00 N ATOM 1775 CA LEU A 110 3.838 2.998 11.263 1.00 0.00 C ATOM 1776 C LEU A 110 2.736 3.650 12.093 1.00 0.00 C ATOM 1777 O LEU A 110 2.599 3.374 13.284 1.00 0.00 O ATOM 1778 CB LEU A 110 3.503 1.520 11.030 1.00 0.00 C ATOM 1779 CG LEU A 110 2.536 1.222 9.875 1.00 0.00 C ATOM 1780 CD1 LEU A 110 1.518 2.339 9.699 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.308 0.995 8.586 1.00 0.00 C ATOM 0 H LEU A 110 5.553 2.228 12.197 1.00 0.00 H new ATOM 0 HA LEU A 110 3.908 3.504 10.300 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.433 0.982 10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.076 1.116 11.948 1.00 0.00 H new ATOM 0 HG LEU A 110 1.989 0.312 10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.850 2.095 8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.938 2.450 10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.036 3.273 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.610 0.785 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.885 1.888 8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.984 0.149 8.711 1.00 0.00 H new ATOM 1793 N ASN A 111 1.969 4.539 11.465 1.00 0.00 N ATOM 1794 CA ASN A 111 0.906 5.247 12.164 1.00 0.00 C ATOM 1795 C ASN A 111 -0.482 4.825 11.703 1.00 0.00 C ATOM 1796 O ASN A 111 -0.883 5.087 10.569 1.00 0.00 O ATOM 1797 CB ASN A 111 1.077 6.757 11.989 1.00 0.00 C ATOM 1798 CG ASN A 111 1.394 7.458 13.295 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.559 7.653 13.643 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.355 7.843 14.028 1.00 0.00 N ATOM 0 H ASN A 111 2.065 4.783 10.479 1.00 0.00 H new ATOM 0 HA ASN A 111 0.988 4.984 13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.877 6.949 11.273 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.164 7.177 11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.507 8.320 14.917 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.594 7.661 13.702 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.224 4.199 12.613 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.583 3.774 12.323 1.00 0.00 C ATOM 1809 C ALA A 112 -3.507 4.993 12.261 1.00 0.00 C ATOM 1810 O ALA A 112 -4.600 4.936 11.696 1.00 0.00 O ATOM 1811 CB ALA A 112 -3.075 2.785 13.371 1.00 0.00 C ATOM 0 H ALA A 112 -0.904 3.977 13.556 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.593 3.272 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.094 2.481 13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.427 1.909 13.377 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.057 3.257 14.353 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.054 6.100 12.848 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.821 7.340 12.859 1.00 0.00 C ATOM 1819 C ASP A 113 -3.700 8.066 11.520 1.00 0.00 C ATOM 1820 O ASP A 113 -4.697 8.507 10.948 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.343 8.250 13.991 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.481 9.011 14.641 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.195 9.741 13.921 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.660 8.877 15.870 1.00 0.00 O ATOM 0 H ASP A 113 -2.154 6.161 13.324 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.869 7.089 13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.833 7.650 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.613 8.958 13.600 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.467 8.193 11.032 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.205 8.872 9.765 1.00 0.00 C ATOM 1831 C ASP A 114 -2.789 8.097 8.584 1.00 0.00 C ATOM 1832 O ASP A 114 -2.903 8.627 7.478 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.704 9.070 9.569 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.317 10.533 9.483 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -0.968 11.359 10.158 1.00 0.00 O ATOM 1836 OD2 ASP A 114 0.635 10.854 8.741 1.00 0.00 O ATOM 0 H ASP A 114 -1.633 7.834 11.496 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.693 9.846 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.168 8.604 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.390 8.560 8.658 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.161 6.844 8.822 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.740 6.007 7.779 1.00 0.00 C ATOM 1843 C PHE A 115 -5.202 5.698 8.118 1.00 0.00 C ATOM 1844 O PHE A 115 -5.666 6.020 9.211 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.898 4.727 7.614 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.556 3.472 8.099 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.917 3.352 9.420 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.798 2.415 7.239 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.507 2.201 9.891 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.393 1.259 7.699 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.745 1.155 9.029 1.00 0.00 C ATOM 0 H PHE A 115 -3.072 6.386 9.729 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.728 6.534 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.651 4.606 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.957 4.857 8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.735 4.173 10.098 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.519 2.496 6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.782 2.119 10.932 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.582 0.439 7.022 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.208 0.251 9.394 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.959 5.087 7.189 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.373 4.768 7.419 1.00 0.00 C ATOM 1863 C PRO A 116 -7.586 3.953 8.697 1.00 0.00 C ATOM 1864 O PRO A 116 -6.938 2.926 8.901 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.772 3.947 6.182 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.488 3.582 5.513 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.521 4.679 5.848 1.00 0.00 C ATOM 0 HA PRO A 116 -7.972 5.669 7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.333 3.057 6.466 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.411 4.527 5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.123 2.618 5.868 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.621 3.495 4.435 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.490 4.326 5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.577 5.501 5.135 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.496 4.409 9.583 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.784 3.724 10.851 1.00 0.00 C ATOM 1877 C PRO A 117 -9.492 2.387 10.655 1.00 0.00 C ATOM 1878 O PRO A 117 -9.207 1.417 11.356 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.697 4.705 11.589 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.336 5.510 10.513 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.307 5.631 9.423 1.00 0.00 C ATOM 0 HA PRO A 117 -7.868 3.480 11.390 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.442 4.180 12.186 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.129 5.337 12.272 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.239 5.023 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.631 6.492 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.769 5.680 8.437 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.704 6.532 9.538 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.416 2.339 9.702 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.158 1.113 9.421 1.00 0.00 C ATOM 1891 C ALA A 118 -10.261 0.044 8.810 1.00 0.00 C ATOM 1892 O ALA A 118 -10.662 -1.111 8.661 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.338 1.408 8.507 1.00 0.00 C ATOM 0 H ALA A 118 -10.669 3.131 9.112 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.534 0.725 10.368 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.882 0.485 8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.003 2.123 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.975 1.827 7.568 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.051 0.441 8.451 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.085 -0.459 7.847 1.00 0.00 C ATOM 1901 C ASN A 119 -7.007 -0.867 8.856 1.00 0.00 C ATOM 1902 O ASN A 119 -5.954 -1.383 8.479 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.458 0.262 6.656 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.198 -0.008 5.359 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.094 -0.852 5.305 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.838 0.719 4.307 1.00 0.00 N ATOM 0 H ASN A 119 -8.712 1.396 8.570 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.582 -1.373 7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.448 1.335 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.420 -0.052 6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.309 0.589 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.091 1.408 4.395 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.276 -0.605 10.141 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.335 -0.904 11.226 1.00 0.00 C ATOM 1915 C GLU A 120 -5.996 -2.393 11.379 1.00 0.00 C ATOM 1916 O GLU A 120 -4.891 -2.722 11.797 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.880 -0.365 12.552 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.014 0.724 13.166 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.779 2.011 13.408 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -7.847 1.955 14.051 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.309 3.076 12.953 1.00 0.00 O ATOM 0 H GLU A 120 -8.149 -0.181 10.456 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.404 -0.407 10.955 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.884 0.028 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.971 -1.189 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.603 0.367 14.110 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.170 0.926 12.507 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.923 -3.322 11.083 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.657 -4.758 11.246 1.00 0.00 C ATOM 1930 C PRO A 121 -5.285 -5.186 10.724 1.00 0.00 C ATOM 1931 O PRO A 121 -4.597 -5.982 11.365 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.777 -5.401 10.434 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.914 -4.447 10.563 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.300 -3.071 10.610 1.00 0.00 C ATOM 0 HA PRO A 121 -6.638 -5.052 12.295 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.487 -5.536 9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.037 -6.386 10.823 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.599 -4.540 9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.491 -4.648 11.466 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.307 -2.595 9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.843 -2.412 11.288 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.881 -4.659 9.574 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.582 -5.001 9.003 1.00 0.00 C ATOM 1944 C VAL A 122 -2.458 -4.255 9.713 1.00 0.00 C ATOM 1945 O VAL A 122 -1.473 -4.857 10.141 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.510 -4.687 7.496 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.196 -5.185 6.910 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.687 -5.303 6.760 1.00 0.00 C ATOM 0 H VAL A 122 -5.428 -3.999 9.022 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.459 -6.075 9.143 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.558 -3.605 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.162 -4.955 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.364 -4.694 7.414 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.120 -6.263 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.615 -5.068 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.674 -6.385 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.617 -4.899 7.159 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.611 -2.939 9.830 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.605 -2.110 10.480 1.00 0.00 C ATOM 1960 C ILE A 123 -1.440 -2.484 11.947 1.00 0.00 C ATOM 1961 O ILE A 123 -0.345 -2.408 12.492 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.948 -0.610 10.376 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.011 -0.180 8.915 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.914 0.223 11.116 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.676 -0.260 8.214 1.00 0.00 C ATOM 0 H ILE A 123 -3.421 -2.426 9.483 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.667 -2.294 9.956 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.924 -0.449 10.834 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.729 -0.809 8.388 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.383 0.843 8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.171 1.279 11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.899 -0.065 12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.070 0.053 10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.789 0.059 7.178 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.039 0.390 8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.313 -1.287 8.239 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.527 -2.891 12.587 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.474 -3.275 13.991 1.00 0.00 C ATOM 1979 C ALA A 124 -1.418 -4.351 14.210 1.00 0.00 C ATOM 1980 O ALA A 124 -0.821 -4.443 15.282 1.00 0.00 O ATOM 1981 CB ALA A 124 -3.838 -3.761 14.459 1.00 0.00 C ATOM 0 H ALA A 124 -3.451 -2.964 12.160 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.199 -2.400 14.580 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.782 -4.044 15.510 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.570 -2.963 14.337 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.140 -4.624 13.866 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.192 -5.161 13.180 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.202 -6.233 13.255 1.00 0.00 C ATOM 1989 C LYS A 125 1.217 -5.697 13.043 1.00 0.00 C ATOM 1990 O LYS A 125 2.141 -6.059 13.771 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.512 -7.312 12.218 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.239 -8.725 12.710 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.381 -9.246 13.568 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.624 -10.727 13.331 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.173 -10.991 11.973 1.00 0.00 N ATOM 0 H LYS A 125 -1.679 -5.097 12.286 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.255 -6.667 14.253 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.559 -7.234 11.926 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.083 -7.126 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.092 -9.387 11.856 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.686 -8.738 13.286 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.153 -9.077 14.620 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.290 -8.687 13.345 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.689 -11.273 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.317 -11.106 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.664 -11.908 11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.844 -10.238 11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.396 -11.012 11.282 1.00 0.00 H new ATOM 2009 N LEU A 126 1.383 -4.842 12.037 1.00 0.00 N ATOM 2010 CA LEU A 126 2.686 -4.262 11.721 1.00 0.00 C ATOM 2011 C LEU A 126 3.032 -3.128 12.679 1.00 0.00 C ATOM 2012 O LEU A 126 4.121 -3.092 13.247 1.00 0.00 O ATOM 2013 CB LEU A 126 2.700 -3.743 10.282 1.00 0.00 C ATOM 2014 CG LEU A 126 4.066 -3.278 9.772 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.114 -4.361 9.982 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.980 -2.895 8.303 1.00 0.00 C ATOM 0 H LEU A 126 0.628 -4.534 11.424 1.00 0.00 H new ATOM 0 HA LEU A 126 3.435 -5.046 11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.333 -4.531 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.999 -2.912 10.205 1.00 0.00 H new ATOM 0 HG LEU A 126 4.366 -2.399 10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.078 -4.011 9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.194 -4.589 11.045 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.822 -5.260 9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.959 -2.566 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.658 -3.758 7.720 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.261 -2.085 8.180 1.00 0.00 H new ATOM 2028 N LYS A 127 2.094 -2.202 12.845 1.00 0.00 N ATOM 2029 CA LYS A 127 2.279 -1.057 13.727 1.00 0.00 C ATOM 2030 C LYS A 127 2.690 -1.503 15.118 1.00 0.00 C ATOM 2031 O LYS A 127 3.490 -0.844 15.782 1.00 0.00 O ATOM 2032 CB LYS A 127 0.997 -0.244 13.798 1.00 0.00 C ATOM 2033 CG LYS A 127 1.027 0.868 14.832 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.199 1.760 14.728 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.306 1.302 15.666 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.702 2.374 16.623 1.00 0.00 N ATOM 0 H LYS A 127 1.189 -2.224 12.375 1.00 0.00 H new ATOM 0 HA LYS A 127 3.077 -0.436 13.319 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.800 0.190 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 127 0.167 -0.913 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 127 1.080 0.436 15.831 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.927 1.468 14.696 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.077 2.788 14.964 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.566 1.757 13.702 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.174 0.998 15.082 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.972 0.425 16.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -2.610 2.126 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.973 2.470 17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.800 3.275 16.113 1.00 0.00 H new ATOM 2050 N ARG A 128 2.161 -2.642 15.546 1.00 0.00 N ATOM 2051 CA ARG A 128 2.506 -3.181 16.849 1.00 0.00 C ATOM 2052 C ARG A 128 3.991 -3.524 16.879 1.00 0.00 C ATOM 2053 O ARG A 128 4.555 -3.809 17.934 1.00 0.00 O ATOM 2054 CB ARG A 128 1.670 -4.426 17.155 1.00 0.00 C ATOM 2055 CG ARG A 128 1.808 -4.914 18.587 1.00 0.00 C ATOM 2056 CD ARG A 128 0.615 -5.759 19.005 1.00 0.00 C ATOM 2057 NE ARG A 128 0.705 -7.123 18.492 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.268 -8.025 18.611 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.403 -7.711 19.223 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.104 -9.244 18.114 1.00 0.00 N ATOM 0 H ARG A 128 1.497 -3.204 15.013 1.00 0.00 H new ATOM 0 HA ARG A 128 2.292 -2.431 17.611 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.621 -4.208 16.954 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.965 -5.227 16.477 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.722 -5.499 18.687 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.902 -4.059 19.256 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.552 -5.784 20.093 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -0.303 -5.295 18.643 1.00 0.00 H new ATOM 0 HE ARG A 128 1.563 -7.401 18.015 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.534 -6.775 19.605 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.144 -8.406 19.311 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.766 -9.489 17.642 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.848 -9.936 18.204 1.00 0.00 H new ATOM 2074 N LEU A 129 4.622 -3.478 15.701 1.00 0.00 N ATOM 2075 CA LEU A 129 6.047 -3.770 15.579 1.00 0.00 C ATOM 2076 C LEU A 129 6.410 -5.068 16.299 1.00 0.00 C ATOM 2077 O LEU A 129 6.029 -6.156 15.867 1.00 0.00 O ATOM 2078 CB LEU A 129 6.874 -2.610 16.143 1.00 0.00 C ATOM 2079 CG LEU A 129 7.220 -1.507 15.137 1.00 0.00 C ATOM 2080 CD1 LEU A 129 5.955 -0.857 14.598 1.00 0.00 C ATOM 2081 CD2 LEU A 129 8.121 -0.463 15.779 1.00 0.00 C ATOM 0 H LEU A 129 4.165 -3.241 14.821 1.00 0.00 H new ATOM 0 HA LEU A 129 6.275 -3.894 14.520 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.326 -2.164 16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.801 -3.011 16.552 1.00 0.00 H new ATOM 0 HG LEU A 129 7.756 -1.961 14.303 1.00 0.00 H new ATOM 0 HD11 LEU A 129 6.222 -0.077 13.885 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.343 -1.609 14.100 1.00 0.00 H new ATOM 0 HD13 LEU A 129 5.392 -0.419 15.422 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.356 0.312 15.050 1.00 0.00 H new ATOM 0 HD22 LEU A 129 7.610 -0.016 16.632 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.043 -0.936 16.116 1.00 0.00 H new