USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 Single : A 5 ASN : amide:sc= -7.43! C(o=-7.4!,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= -2.52! (180deg=-8.4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 133:sc= 1.07 (180deg=-1.78!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.118 (180deg=-0.762) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00696 USER MOD Single : A 17 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.2) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.00235 USER MOD Single : A 29 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.7!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 32 ASN : amide:sc= -3.03! C(o=-3!,f=-18!) USER MOD Single : A 36 LYS NZ :NH3+ -140:sc= 0.362 (180deg=-3.46!) USER MOD Single : A 37 ASN : amide:sc= -0.0364 K(o=-0.036,f=-0.55) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0349) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2 K(o=-2,f=-4.8!) USER MOD Single : A 42 SER OG : rot 53:sc= -0.21 USER MOD Single : A 44 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 0.468 (180deg=0.164) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.149 X(o=0.15,f=-0.027) USER MOD Single : A 55 THR OG1 : rot 53:sc= 0.55 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -5.797 -2.132 8.233 1.00 0.00 N ATOM 71 CA ASN A 5 -5.772 -3.504 8.694 1.00 0.00 C ATOM 72 C ASN A 5 -4.827 -4.329 7.842 1.00 0.00 C ATOM 73 O ASN A 5 -5.235 -5.248 7.124 1.00 0.00 O ATOM 74 CB ASN A 5 -7.196 -4.119 8.695 1.00 0.00 C ATOM 75 CG ASN A 5 -8.124 -3.411 7.694 1.00 0.00 C ATOM 76 OD1 ASN A 5 -8.021 -2.193 7.489 1.00 0.00 O ATOM 77 ND2 ASN A 5 -9.027 -4.094 7.063 1.00 0.00 N ATOM 0 HA ASN A 5 -5.408 -3.512 9.721 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.135 -5.179 8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -7.621 -4.050 9.696 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.649 -3.629 6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.116 -5.097 7.228 1.00 0.00 H new ATOM 84 N LEU A 6 -3.552 -4.001 7.937 1.00 0.00 N ATOM 85 CA LEU A 6 -2.524 -4.682 7.171 1.00 0.00 C ATOM 86 C LEU A 6 -2.460 -6.150 7.516 1.00 0.00 C ATOM 87 O LEU A 6 -2.200 -6.977 6.647 1.00 0.00 O ATOM 88 CB LEU A 6 -1.155 -4.029 7.356 1.00 0.00 C ATOM 89 CG LEU A 6 -1.154 -2.646 6.692 1.00 0.00 C ATOM 90 CD1 LEU A 6 0.150 -1.922 7.018 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.283 -2.808 5.166 1.00 0.00 C ATOM 0 H LEU A 6 -3.201 -3.260 8.543 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.800 -4.591 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.926 -3.935 8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.379 -4.656 6.917 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.995 -2.064 7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.149 -0.940 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.241 -1.805 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.992 -2.504 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.282 -1.825 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.443 -3.392 4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.215 -3.322 4.932 1.00 0.00 H new ATOM 103 N LYS A 7 -2.693 -6.489 8.776 1.00 0.00 N ATOM 104 CA LYS A 7 -2.663 -7.892 9.160 1.00 0.00 C ATOM 105 C LYS A 7 -3.530 -8.702 8.217 1.00 0.00 C ATOM 106 O LYS A 7 -3.159 -9.803 7.829 1.00 0.00 O ATOM 107 CB LYS A 7 -3.080 -8.103 10.633 1.00 0.00 C ATOM 108 CG LYS A 7 -4.617 -8.288 10.765 1.00 0.00 C ATOM 109 CD LYS A 7 -5.076 -9.737 10.436 1.00 0.00 C ATOM 110 CE LYS A 7 -4.110 -10.771 11.018 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.119 -11.179 9.978 1.00 0.00 N ATOM 0 H LYS A 7 -2.899 -5.834 9.530 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.634 -8.242 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.571 -8.979 11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.762 -7.247 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.924 -8.035 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.122 -7.590 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.076 -9.904 10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.140 -9.864 9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.593 -10.353 11.882 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.663 -11.642 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.012 -12.213 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.453 -10.873 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.201 -10.735 10.180 1.00 0.00 H new ATOM 125 N LEU A 8 -4.681 -8.142 7.844 1.00 0.00 N ATOM 126 CA LEU A 8 -5.567 -8.776 6.872 1.00 0.00 C ATOM 127 C LEU A 8 -4.894 -8.819 5.507 1.00 0.00 C ATOM 128 O LEU A 8 -4.999 -9.805 4.771 1.00 0.00 O ATOM 129 CB LEU A 8 -6.891 -8.012 6.766 1.00 0.00 C ATOM 130 CG LEU A 8 -7.692 -8.150 8.070 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.946 -7.273 7.993 1.00 0.00 C ATOM 132 CD2 LEU A 8 -8.107 -9.613 8.279 1.00 0.00 C ATOM 0 H LEU A 8 -5.021 -7.249 8.202 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.774 -9.792 7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.696 -6.959 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.475 -8.397 5.930 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.070 -7.831 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.515 -7.370 8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.654 -6.232 7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.562 -7.592 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.674 -9.701 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.725 -9.939 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.217 -10.239 8.338 1.00 0.00 H new ATOM 144 N ILE A 9 -4.230 -7.726 5.170 1.00 0.00 N ATOM 145 CA ILE A 9 -3.523 -7.598 3.905 1.00 0.00 C ATOM 146 C ILE A 9 -2.369 -8.585 3.862 1.00 0.00 C ATOM 147 O ILE A 9 -2.116 -9.218 2.842 1.00 0.00 O ATOM 148 CB ILE A 9 -3.007 -6.160 3.715 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.168 -5.161 3.848 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.378 -6.013 2.322 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.237 -5.442 2.783 1.00 0.00 C ATOM 0 H ILE A 9 -4.165 -6.901 5.766 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.213 -7.821 3.091 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.259 -5.953 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.608 -5.234 4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.795 -4.143 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.014 -4.994 2.193 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.546 -6.710 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.126 -6.231 1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.053 -4.727 2.889 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.796 -5.345 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.622 -6.454 2.912 1.00 0.00 H new ATOM 163 N ARG A 10 -1.661 -8.686 4.974 1.00 0.00 N ATOM 164 CA ARG A 10 -0.495 -9.551 5.075 1.00 0.00 C ATOM 165 C ARG A 10 -0.843 -10.959 4.621 1.00 0.00 C ATOM 166 O ARG A 10 -0.111 -11.566 3.833 1.00 0.00 O ATOM 167 CB ARG A 10 -0.011 -9.584 6.537 1.00 0.00 C ATOM 168 CG ARG A 10 1.482 -9.948 6.621 1.00 0.00 C ATOM 169 CD ARG A 10 1.698 -11.430 6.252 1.00 0.00 C ATOM 170 NE ARG A 10 0.641 -12.278 6.823 1.00 0.00 N ATOM 171 CZ ARG A 10 0.832 -13.567 7.103 1.00 0.00 C ATOM 172 NH1 ARG A 10 1.988 -14.120 6.898 1.00 0.00 N ATOM 173 NH2 ARG A 10 -0.142 -14.260 7.583 1.00 0.00 N ATOM 0 H ARG A 10 -1.876 -8.174 5.829 1.00 0.00 H new ATOM 0 HA ARG A 10 0.295 -9.161 4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.177 -8.611 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.597 -10.310 7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.056 -9.312 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.852 -9.760 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.710 -11.540 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.670 -11.761 6.617 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.272 -11.864 7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.758 -13.568 6.520 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.127 -15.107 7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.049 -13.821 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.007 -15.247 7.801 1.00 0.00 H new ATOM 187 N GLU A 11 -1.977 -11.460 5.077 1.00 0.00 N ATOM 188 CA GLU A 11 -2.413 -12.788 4.673 1.00 0.00 C ATOM 189 C GLU A 11 -2.633 -12.811 3.171 1.00 0.00 C ATOM 190 O GLU A 11 -2.164 -13.712 2.472 1.00 0.00 O ATOM 191 CB GLU A 11 -3.722 -13.197 5.386 1.00 0.00 C ATOM 192 CG GLU A 11 -3.971 -12.343 6.639 1.00 0.00 C ATOM 193 CD GLU A 11 -3.002 -12.718 7.740 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.836 -12.434 7.608 1.00 0.00 O ATOM 195 OE2 GLU A 11 -3.444 -13.277 8.721 1.00 0.00 O ATOM 0 H GLU A 11 -2.606 -10.977 5.718 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.636 -13.499 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.561 -13.090 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.672 -14.249 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.860 -11.287 6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.995 -12.484 6.985 1.00 0.00 H new ATOM 202 N LYS A 12 -3.342 -11.807 2.679 1.00 0.00 N ATOM 203 CA LYS A 12 -3.611 -11.696 1.257 1.00 0.00 C ATOM 204 C LYS A 12 -2.331 -11.460 0.461 1.00 0.00 C ATOM 205 O LYS A 12 -2.158 -12.020 -0.621 1.00 0.00 O ATOM 206 CB LYS A 12 -4.643 -10.602 0.966 1.00 0.00 C ATOM 207 CG LYS A 12 -6.011 -11.029 1.539 1.00 0.00 C ATOM 208 CD LYS A 12 -7.086 -9.993 1.179 1.00 0.00 C ATOM 209 CE LYS A 12 -6.866 -8.693 1.967 1.00 0.00 C ATOM 210 NZ LYS A 12 -7.873 -7.683 1.546 1.00 0.00 N ATOM 0 H LYS A 12 -3.741 -11.058 3.245 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.032 -12.648 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.327 -9.659 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.721 -10.436 -0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.290 -12.005 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.943 -11.132 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.056 -9.786 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.075 -10.395 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.952 -8.884 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.859 -8.314 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.725 -6.802 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.770 -7.494 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.829 -8.046 1.736 1.00 0.00 H new ATOM 224 N LYS A 13 -1.446 -10.613 0.990 1.00 0.00 N ATOM 225 CA LYS A 13 -0.208 -10.283 0.303 1.00 0.00 C ATOM 226 C LYS A 13 0.760 -11.464 0.300 1.00 0.00 C ATOM 227 O LYS A 13 1.745 -11.472 -0.461 1.00 0.00 O ATOM 228 CB LYS A 13 0.437 -9.021 0.909 1.00 0.00 C ATOM 229 CG LYS A 13 1.798 -8.768 0.266 1.00 0.00 C ATOM 230 CD LYS A 13 1.647 -8.557 -1.241 1.00 0.00 C ATOM 231 CE LYS A 13 3.028 -8.615 -1.870 1.00 0.00 C ATOM 232 NZ LYS A 13 3.583 -9.986 -1.690 1.00 0.00 N ATOM 0 H LYS A 13 -1.568 -10.147 1.889 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.450 -10.064 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.213 -8.160 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.552 -9.143 1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.263 -7.891 0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.460 -9.613 0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.002 -9.324 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.177 -7.595 -1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.970 -8.368 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.685 -7.879 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.977 -10.322 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.333 -9.965 -0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.826 -10.629 -1.382 1.00 0.00 H new ATOM 246 N LYS A 14 0.443 -12.477 1.106 1.00 0.00 N ATOM 247 CA LYS A 14 1.218 -13.718 1.165 1.00 0.00 C ATOM 248 C LYS A 14 2.718 -13.448 1.119 1.00 0.00 C ATOM 249 O LYS A 14 3.368 -13.657 0.089 1.00 0.00 O ATOM 250 CB LYS A 14 0.822 -14.637 0.003 1.00 0.00 C ATOM 251 CG LYS A 14 -0.653 -15.044 0.141 1.00 0.00 C ATOM 252 CD LYS A 14 -1.071 -15.878 -1.077 1.00 0.00 C ATOM 253 CE LYS A 14 -0.638 -17.339 -0.881 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.407 -17.939 0.237 1.00 0.00 N ATOM 0 H LYS A 14 -0.358 -12.461 1.737 1.00 0.00 H new ATOM 0 HA LYS A 14 0.993 -14.205 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.981 -14.126 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.455 -15.525 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.798 -15.619 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.280 -14.156 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.151 -15.824 -1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.616 -15.472 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.807 -17.905 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.430 -17.387 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.523 -18.959 0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.895 -17.790 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.343 -17.489 0.295 1.00 0.00 H new ATOM 268 N ILE A 15 3.276 -13.033 2.238 1.00 0.00 N ATOM 269 CA ILE A 15 4.698 -12.751 2.295 1.00 0.00 C ATOM 270 C ILE A 15 5.436 -14.043 2.622 1.00 0.00 C ATOM 271 O ILE A 15 5.155 -14.680 3.647 1.00 0.00 O ATOM 272 CB ILE A 15 4.980 -11.732 3.409 1.00 0.00 C ATOM 273 CG1 ILE A 15 4.158 -10.468 3.187 1.00 0.00 C ATOM 274 CG2 ILE A 15 6.468 -11.349 3.393 1.00 0.00 C ATOM 275 CD1 ILE A 15 4.281 -9.585 4.436 1.00 0.00 C ATOM 0 H ILE A 15 2.773 -12.884 3.113 1.00 0.00 H new ATOM 0 HA ILE A 15 5.030 -12.348 1.338 1.00 0.00 H new ATOM 0 HB ILE A 15 4.714 -12.182 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.515 -9.933 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.114 -10.722 3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.666 -10.626 4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.075 -12.240 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.720 -10.909 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.699 -8.674 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.904 -10.127 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.327 -9.326 4.597 1.00 0.00 H new ATOM 287 N SER A 16 6.390 -14.414 1.787 1.00 0.00 N ATOM 288 CA SER A 16 7.177 -15.611 2.038 1.00 0.00 C ATOM 289 C SER A 16 8.065 -15.376 3.256 1.00 0.00 C ATOM 290 O SER A 16 8.342 -14.223 3.607 1.00 0.00 O ATOM 291 CB SER A 16 8.027 -15.942 0.820 1.00 0.00 C ATOM 292 OG SER A 16 7.256 -15.734 -0.367 1.00 0.00 O ATOM 0 H SER A 16 6.638 -13.910 0.936 1.00 0.00 H new ATOM 0 HA SER A 16 6.512 -16.453 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.918 -15.314 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.367 -16.977 0.870 1.00 0.00 H new ATOM 0 HG SER A 16 7.802 -15.945 -1.153 1.00 0.00 H new ATOM 298 N GLN A 17 8.454 -16.443 3.939 1.00 0.00 N ATOM 299 CA GLN A 17 9.209 -16.284 5.178 1.00 0.00 C ATOM 300 C GLN A 17 10.458 -15.456 4.923 1.00 0.00 C ATOM 301 O GLN A 17 10.691 -14.441 5.575 1.00 0.00 O ATOM 302 CB GLN A 17 9.621 -17.656 5.738 1.00 0.00 C ATOM 303 CG GLN A 17 8.389 -18.555 5.915 1.00 0.00 C ATOM 304 CD GLN A 17 7.352 -17.862 6.780 1.00 0.00 C ATOM 305 OE1 GLN A 17 6.541 -17.099 6.268 1.00 0.00 O ATOM 306 NE2 GLN A 17 7.332 -18.066 8.058 1.00 0.00 N ATOM 0 H GLN A 17 8.266 -17.408 3.667 1.00 0.00 H new ATOM 0 HA GLN A 17 8.573 -15.777 5.903 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.332 -18.132 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.126 -17.528 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.961 -18.792 4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.682 -19.500 6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.007 -18.701 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.641 -17.592 8.639 1.00 0.00 H new ATOM 315 N SER A 18 11.186 -15.826 3.894 1.00 0.00 N ATOM 316 CA SER A 18 12.357 -15.076 3.489 1.00 0.00 C ATOM 317 C SER A 18 11.971 -13.660 3.082 1.00 0.00 C ATOM 318 O SER A 18 12.632 -12.690 3.460 1.00 0.00 O ATOM 319 CB SER A 18 13.066 -15.792 2.346 1.00 0.00 C ATOM 320 OG SER A 18 13.320 -17.147 2.728 1.00 0.00 O ATOM 0 H SER A 18 10.988 -16.645 3.319 1.00 0.00 H new ATOM 0 HA SER A 18 13.041 -15.009 4.335 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.452 -15.764 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.002 -15.286 2.109 1.00 0.00 H new ATOM 0 HG SER A 18 13.775 -17.614 1.996 1.00 0.00 H new ATOM 326 N GLU A 19 10.873 -13.541 2.351 1.00 0.00 N ATOM 327 CA GLU A 19 10.399 -12.239 1.920 1.00 0.00 C ATOM 328 C GLU A 19 10.079 -11.385 3.138 1.00 0.00 C ATOM 329 O GLU A 19 10.522 -10.234 3.234 1.00 0.00 O ATOM 330 CB GLU A 19 9.147 -12.401 1.049 1.00 0.00 C ATOM 331 CG GLU A 19 9.505 -13.135 -0.256 1.00 0.00 C ATOM 332 CD GLU A 19 10.408 -12.283 -1.114 1.00 0.00 C ATOM 333 OE1 GLU A 19 10.007 -11.204 -1.468 1.00 0.00 O ATOM 334 OE2 GLU A 19 11.495 -12.714 -1.401 1.00 0.00 O ATOM 0 H GLU A 19 10.298 -14.326 2.046 1.00 0.00 H new ATOM 0 HA GLU A 19 11.175 -11.749 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.385 -12.960 1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.723 -11.423 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.998 -14.079 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.595 -13.377 -0.805 1.00 0.00 H new ATOM 341 N LEU A 20 9.382 -11.977 4.101 1.00 0.00 N ATOM 342 CA LEU A 20 9.095 -11.292 5.351 1.00 0.00 C ATOM 343 C LEU A 20 10.394 -11.026 6.095 1.00 0.00 C ATOM 344 O LEU A 20 10.637 -9.918 6.584 1.00 0.00 O ATOM 345 CB LEU A 20 8.143 -12.125 6.229 1.00 0.00 C ATOM 346 CG LEU A 20 7.827 -11.361 7.526 1.00 0.00 C ATOM 347 CD1 LEU A 20 7.171 -10.015 7.198 1.00 0.00 C ATOM 348 CD2 LEU A 20 6.878 -12.184 8.396 1.00 0.00 C ATOM 0 H LEU A 20 9.008 -12.924 4.039 1.00 0.00 H new ATOM 0 HA LEU A 20 8.605 -10.345 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.222 -12.334 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.599 -13.087 6.465 1.00 0.00 H new ATOM 0 HG LEU A 20 8.759 -11.187 8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.951 -9.482 8.123 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.850 -9.419 6.588 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.245 -10.186 6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.658 -11.637 9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.951 -12.367 7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.346 -13.136 8.645 1.00 0.00 H new ATOM 360 N ALA A 21 11.245 -12.042 6.145 1.00 0.00 N ATOM 361 CA ALA A 21 12.523 -11.930 6.825 1.00 0.00 C ATOM 362 C ALA A 21 13.343 -10.824 6.208 1.00 0.00 C ATOM 363 O ALA A 21 13.983 -10.058 6.913 1.00 0.00 O ATOM 364 CB ALA A 21 13.292 -13.248 6.753 1.00 0.00 C ATOM 0 H ALA A 21 11.071 -12.953 5.721 1.00 0.00 H new ATOM 0 HA ALA A 21 12.334 -11.696 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.246 -13.141 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.709 -14.036 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.471 -13.508 5.710 1.00 0.00 H new ATOM 370 N ALA A 22 13.266 -10.704 4.891 1.00 0.00 N ATOM 371 CA ALA A 22 13.967 -9.641 4.186 1.00 0.00 C ATOM 372 C ALA A 22 13.574 -8.302 4.776 1.00 0.00 C ATOM 373 O ALA A 22 14.423 -7.493 5.157 1.00 0.00 O ATOM 374 CB ALA A 22 13.598 -9.663 2.700 1.00 0.00 C ATOM 0 H ALA A 22 12.727 -11.328 4.290 1.00 0.00 H new ATOM 0 HA ALA A 22 15.041 -9.793 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.128 -8.864 2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.880 -10.624 2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.523 -9.517 2.590 1.00 0.00 H new ATOM 380 N LEU A 23 12.280 -8.096 4.904 1.00 0.00 N ATOM 381 CA LEU A 23 11.758 -6.895 5.529 1.00 0.00 C ATOM 382 C LEU A 23 12.162 -6.857 6.992 1.00 0.00 C ATOM 383 O LEU A 23 12.421 -5.790 7.557 1.00 0.00 O ATOM 384 CB LEU A 23 10.231 -6.857 5.406 1.00 0.00 C ATOM 385 CG LEU A 23 9.840 -6.655 3.934 1.00 0.00 C ATOM 386 CD1 LEU A 23 8.328 -6.833 3.767 1.00 0.00 C ATOM 387 CD2 LEU A 23 10.246 -5.246 3.479 1.00 0.00 C ATOM 0 H LEU A 23 11.565 -8.748 4.582 1.00 0.00 H new ATOM 0 HA LEU A 23 12.173 -6.024 5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.802 -7.785 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.827 -6.048 6.015 1.00 0.00 H new ATOM 0 HG LEU A 23 10.357 -7.395 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.058 -6.688 2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.043 -7.838 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.805 -6.100 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.967 -5.106 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.736 -4.504 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.324 -5.126 3.586 1.00 0.00 H new ATOM 399 N LEU A 24 12.108 -8.016 7.620 1.00 0.00 N ATOM 400 CA LEU A 24 12.352 -8.133 9.044 1.00 0.00 C ATOM 401 C LEU A 24 13.816 -8.367 9.392 1.00 0.00 C ATOM 402 O LEU A 24 14.138 -8.716 10.538 1.00 0.00 O ATOM 403 CB LEU A 24 11.438 -9.175 9.689 1.00 0.00 C ATOM 404 CG LEU A 24 9.974 -8.759 9.459 1.00 0.00 C ATOM 405 CD1 LEU A 24 9.028 -9.771 10.096 1.00 0.00 C ATOM 406 CD2 LEU A 24 9.721 -7.368 10.050 1.00 0.00 C ATOM 0 H LEU A 24 11.894 -8.900 7.159 1.00 0.00 H new ATOM 0 HA LEU A 24 12.101 -7.162 9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.623 -10.159 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.646 -9.251 10.756 1.00 0.00 H new ATOM 0 HG LEU A 24 9.787 -8.729 8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.997 -9.463 9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.192 -10.753 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.218 -9.822 11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.682 -7.084 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.923 -7.385 11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.378 -6.643 9.569 1.00 0.00 H new ATOM 418 N GLU A 25 14.717 -8.105 8.448 1.00 0.00 N ATOM 419 CA GLU A 25 16.140 -8.189 8.758 1.00 0.00 C ATOM 420 C GLU A 25 16.440 -7.234 9.903 1.00 0.00 C ATOM 421 O GLU A 25 17.295 -7.504 10.755 1.00 0.00 O ATOM 422 CB GLU A 25 17.009 -7.846 7.547 1.00 0.00 C ATOM 423 CG GLU A 25 16.898 -8.951 6.485 1.00 0.00 C ATOM 424 CD GLU A 25 17.771 -8.632 5.282 1.00 0.00 C ATOM 425 OE1 GLU A 25 18.533 -7.689 5.351 1.00 0.00 O ATOM 426 OE2 GLU A 25 17.687 -9.348 4.315 1.00 0.00 O ATOM 0 H GLU A 25 14.496 -7.840 7.488 1.00 0.00 H new ATOM 0 HA GLU A 25 16.377 -9.215 9.041 1.00 0.00 H new ATOM 0 HB2 GLU A 25 16.695 -6.892 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 25 18.048 -7.732 7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.198 -9.907 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.860 -9.056 6.169 1.00 0.00 H new ATOM 433 N VAL A 26 15.620 -6.200 9.990 1.00 0.00 N ATOM 434 CA VAL A 26 15.630 -5.277 11.106 1.00 0.00 C ATOM 435 C VAL A 26 14.316 -5.476 11.860 1.00 0.00 C ATOM 436 O VAL A 26 13.278 -5.747 11.240 1.00 0.00 O ATOM 437 CB VAL A 26 15.741 -3.830 10.586 1.00 0.00 C ATOM 438 CG1 VAL A 26 15.520 -2.829 11.726 1.00 0.00 C ATOM 439 CG2 VAL A 26 17.129 -3.608 9.970 1.00 0.00 C ATOM 0 H VAL A 26 14.923 -5.978 9.279 1.00 0.00 H new ATOM 0 HA VAL A 26 16.480 -5.460 11.763 1.00 0.00 H new ATOM 0 HB VAL A 26 14.973 -3.673 9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 26 15.602 -1.813 11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.527 -2.976 12.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.273 -2.985 12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.205 -2.584 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.895 -3.780 10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.275 -4.302 9.142 1.00 0.00 H new ATOM 449 N SER A 27 14.384 -5.500 13.173 1.00 0.00 N ATOM 450 CA SER A 27 13.225 -5.854 13.975 1.00 0.00 C ATOM 451 C SER A 27 12.096 -4.837 13.848 1.00 0.00 C ATOM 452 O SER A 27 12.214 -3.704 14.317 1.00 0.00 O ATOM 453 CB SER A 27 13.632 -5.993 15.440 1.00 0.00 C ATOM 454 OG SER A 27 14.871 -6.700 15.523 1.00 0.00 O ATOM 0 H SER A 27 15.223 -5.280 13.709 1.00 0.00 H new ATOM 0 HA SER A 27 12.849 -6.805 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.731 -5.008 15.896 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.859 -6.525 15.995 1.00 0.00 H new ATOM 0 HG SER A 27 15.135 -6.789 16.463 1.00 0.00 H new ATOM 460 N ARG A 28 10.936 -5.309 13.393 1.00 0.00 N ATOM 461 CA ARG A 28 9.728 -4.492 13.424 1.00 0.00 C ATOM 462 C ARG A 28 9.159 -4.529 14.824 1.00 0.00 C ATOM 463 O ARG A 28 8.285 -3.748 15.177 1.00 0.00 O ATOM 464 CB ARG A 28 8.653 -5.040 12.456 1.00 0.00 C ATOM 465 CG ARG A 28 8.214 -6.458 12.899 1.00 0.00 C ATOM 466 CD ARG A 28 6.875 -6.834 12.245 1.00 0.00 C ATOM 467 NE ARG A 28 5.791 -6.012 12.789 1.00 0.00 N ATOM 468 CZ ARG A 28 5.204 -6.286 13.967 1.00 0.00 C ATOM 469 NH1 ARG A 28 5.586 -7.313 14.672 1.00 0.00 N ATOM 470 NH2 ARG A 28 4.250 -5.523 14.398 1.00 0.00 N ATOM 0 H ARG A 28 10.809 -6.243 13.003 1.00 0.00 H new ATOM 0 HA ARG A 28 9.991 -3.478 13.123 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.792 -4.372 12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.049 -5.074 11.441 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.978 -7.185 12.622 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.118 -6.493 13.984 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.939 -6.695 11.166 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.662 -7.889 12.418 1.00 0.00 H new ATOM 0 HE ARG A 28 5.471 -5.204 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.335 -7.915 14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.136 -7.515 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.949 -4.721 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.800 -5.724 15.291 1.00 0.00 H new ATOM 484 N GLN A 29 9.520 -5.579 15.538 1.00 0.00 N ATOM 485 CA GLN A 29 8.881 -5.903 16.791 1.00 0.00 C ATOM 486 C GLN A 29 8.926 -4.730 17.741 1.00 0.00 C ATOM 487 O GLN A 29 7.968 -4.477 18.469 1.00 0.00 O ATOM 488 CB GLN A 29 9.570 -7.108 17.448 1.00 0.00 C ATOM 489 CG GLN A 29 9.775 -8.248 16.431 1.00 0.00 C ATOM 490 CD GLN A 29 8.450 -8.699 15.823 1.00 0.00 C ATOM 491 OE1 GLN A 29 7.385 -8.385 16.343 1.00 0.00 O ATOM 492 NE2 GLN A 29 8.454 -9.414 14.745 1.00 0.00 N ATOM 0 H GLN A 29 10.260 -6.225 15.264 1.00 0.00 H new ATOM 0 HA GLN A 29 7.840 -6.148 16.578 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.533 -6.803 17.857 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.968 -7.465 18.284 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.445 -7.914 15.639 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.258 -9.093 16.922 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.339 -9.677 14.310 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.572 -9.715 14.330 1.00 0.00 H new ATOM 501 N THR A 30 10.052 -4.055 17.784 1.00 0.00 N ATOM 502 CA THR A 30 10.226 -2.992 18.735 1.00 0.00 C ATOM 503 C THR A 30 9.258 -1.829 18.473 1.00 0.00 C ATOM 504 O THR A 30 8.313 -1.616 19.247 1.00 0.00 O ATOM 505 CB THR A 30 11.680 -2.521 18.672 1.00 0.00 C ATOM 506 OG1 THR A 30 12.186 -2.803 17.368 1.00 0.00 O ATOM 507 CG2 THR A 30 12.520 -3.289 19.698 1.00 0.00 C ATOM 0 H THR A 30 10.853 -4.224 17.175 1.00 0.00 H new ATOM 0 HA THR A 30 9.998 -3.364 19.734 1.00 0.00 H new ATOM 0 HB THR A 30 11.731 -1.454 18.887 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.118 -2.506 17.308 1.00 0.00 H new ATOM 0 HG21 THR A 30 13.555 -2.949 19.649 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.126 -3.109 20.698 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.477 -4.356 19.478 1.00 0.00 H new ATOM 515 N ILE A 31 9.452 -1.107 17.375 1.00 0.00 N ATOM 516 CA ILE A 31 8.548 -0.011 17.048 1.00 0.00 C ATOM 517 C ILE A 31 7.168 -0.508 16.615 1.00 0.00 C ATOM 518 O ILE A 31 6.144 0.010 17.046 1.00 0.00 O ATOM 519 CB ILE A 31 9.153 0.920 15.985 1.00 0.00 C ATOM 520 CG1 ILE A 31 10.375 1.633 16.577 1.00 0.00 C ATOM 521 CG2 ILE A 31 8.113 1.975 15.587 1.00 0.00 C ATOM 522 CD1 ILE A 31 11.120 2.386 15.472 1.00 0.00 C ATOM 0 H ILE A 31 10.210 -1.256 16.709 1.00 0.00 H new ATOM 0 HA ILE A 31 8.412 0.564 17.964 1.00 0.00 H new ATOM 0 HB ILE A 31 9.446 0.336 15.112 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.060 2.328 17.355 1.00 0.00 H new ATOM 0 HG13 ILE A 31 11.039 0.907 17.047 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.537 2.638 14.833 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.231 1.481 15.180 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.831 2.557 16.464 1.00 0.00 H new ATOM 0 HD11 ILE A 31 11.987 2.891 15.897 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.449 1.681 14.709 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.455 3.123 15.022 1.00 0.00 H new ATOM 534 N ASN A 32 7.144 -1.493 15.738 1.00 0.00 N ATOM 535 CA ASN A 32 5.878 -1.963 15.188 1.00 0.00 C ATOM 536 C ASN A 32 5.002 -2.580 16.242 1.00 0.00 C ATOM 537 O ASN A 32 3.775 -2.454 16.196 1.00 0.00 O ATOM 538 CB ASN A 32 6.066 -2.893 13.993 1.00 0.00 C ATOM 539 CG ASN A 32 4.852 -2.805 13.082 1.00 0.00 C ATOM 540 OD1 ASN A 32 4.257 -3.831 12.736 1.00 0.00 O ATOM 541 ND2 ASN A 32 4.439 -1.647 12.672 1.00 0.00 N ATOM 0 H ASN A 32 7.971 -1.980 15.392 1.00 0.00 H new ATOM 0 HA ASN A 32 5.361 -1.080 14.814 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.966 -2.618 13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.203 -3.919 14.336 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.623 -1.583 12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.930 -0.800 12.958 1.00 0.00 H new ATOM 548 N GLY A 33 5.619 -3.260 17.190 1.00 0.00 N ATOM 549 CA GLY A 33 4.869 -3.881 18.261 1.00 0.00 C ATOM 550 C GLY A 33 4.056 -2.830 19.003 1.00 0.00 C ATOM 551 O GLY A 33 2.851 -3.011 19.225 1.00 0.00 O ATOM 0 H GLY A 33 6.629 -3.395 17.239 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.207 -4.646 17.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.549 -4.380 18.951 1.00 0.00 H new ATOM 555 N ILE A 34 4.675 -1.674 19.275 1.00 0.00 N ATOM 556 CA ILE A 34 3.943 -0.578 19.891 1.00 0.00 C ATOM 557 C ILE A 34 2.953 0.022 18.907 1.00 0.00 C ATOM 558 O ILE A 34 1.807 0.307 19.275 1.00 0.00 O ATOM 559 CB ILE A 34 4.869 0.504 20.497 1.00 0.00 C ATOM 560 CG1 ILE A 34 5.742 1.149 19.422 1.00 0.00 C ATOM 561 CG2 ILE A 34 5.780 -0.124 21.552 1.00 0.00 C ATOM 562 CD1 ILE A 34 6.484 2.347 20.019 1.00 0.00 C ATOM 0 H ILE A 34 5.658 -1.482 19.081 1.00 0.00 H new ATOM 0 HA ILE A 34 3.388 -0.998 20.730 1.00 0.00 H new ATOM 0 HB ILE A 34 4.236 1.269 20.948 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.456 0.422 19.034 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.126 1.471 18.583 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.429 0.643 21.975 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.172 -0.562 22.344 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.389 -0.901 21.091 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.107 2.808 19.253 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.762 3.076 20.386 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.112 2.011 20.844 1.00 0.00 H new ATOM 574 N GLU A 35 3.364 0.158 17.636 1.00 0.00 N ATOM 575 CA GLU A 35 2.450 0.689 16.631 1.00 0.00 C ATOM 576 C GLU A 35 1.209 -0.154 16.613 1.00 0.00 C ATOM 577 O GLU A 35 0.107 0.339 16.833 1.00 0.00 O ATOM 578 CB GLU A 35 3.036 0.563 15.216 1.00 0.00 C ATOM 579 CG GLU A 35 4.248 1.450 14.981 1.00 0.00 C ATOM 580 CD GLU A 35 4.737 1.180 13.570 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.024 1.518 12.651 1.00 0.00 O ATOM 582 OE2 GLU A 35 5.783 0.594 13.423 1.00 0.00 O ATOM 0 H GLU A 35 4.294 -0.085 17.294 1.00 0.00 H new ATOM 0 HA GLU A 35 2.263 1.733 16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.316 -0.475 15.038 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.265 0.815 14.488 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.985 2.501 15.102 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.031 1.232 15.707 1.00 0.00 H new ATOM 589 N LYS A 36 1.411 -1.440 16.314 1.00 0.00 N ATOM 590 CA LYS A 36 0.320 -2.371 16.140 1.00 0.00 C ATOM 591 C LYS A 36 -0.424 -2.609 17.438 1.00 0.00 C ATOM 592 O LYS A 36 -1.570 -3.075 17.428 1.00 0.00 O ATOM 593 CB LYS A 36 0.823 -3.703 15.576 1.00 0.00 C ATOM 594 CG LYS A 36 -0.358 -4.453 14.945 1.00 0.00 C ATOM 595 CD LYS A 36 -0.527 -5.822 15.616 1.00 0.00 C ATOM 596 CE LYS A 36 -2.020 -6.138 15.751 1.00 0.00 C ATOM 597 NZ LYS A 36 -2.715 -5.003 16.434 1.00 0.00 N ATOM 0 H LYS A 36 2.335 -1.853 16.189 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.373 -1.924 15.428 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.600 -3.528 14.831 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.271 -4.303 16.368 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.272 -3.869 15.056 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.189 -4.581 13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.032 -6.593 15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.054 -5.820 16.598 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.457 -6.305 14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.157 -7.057 16.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.421 -5.378 17.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.019 -4.432 16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.189 -4.409 15.724 1.00 0.00 H new ATOM 611 N ASN A 37 0.226 -2.326 18.554 1.00 0.00 N ATOM 612 CA ASN A 37 -0.424 -2.472 19.845 1.00 0.00 C ATOM 613 C ASN A 37 -1.406 -1.336 20.055 1.00 0.00 C ATOM 614 O ASN A 37 -2.556 -1.552 20.420 1.00 0.00 O ATOM 615 CB ASN A 37 0.614 -2.485 20.974 1.00 0.00 C ATOM 616 CG ASN A 37 -0.075 -2.400 22.329 1.00 0.00 C ATOM 617 OD1 ASN A 37 -0.348 -1.301 22.814 1.00 0.00 O ATOM 618 ND2 ASN A 37 -0.374 -3.484 22.973 1.00 0.00 N ATOM 0 H ASN A 37 1.191 -1.998 18.593 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.961 -3.420 19.861 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.210 -3.396 20.918 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.301 -1.647 20.855 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.835 -3.427 23.881 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.148 -4.394 22.572 1.00 0.00 H new ATOM 625 N LYS A 38 -0.937 -0.128 19.815 1.00 0.00 N ATOM 626 CA LYS A 38 -1.748 1.068 19.981 1.00 0.00 C ATOM 627 C LYS A 38 -2.705 1.235 18.798 1.00 0.00 C ATOM 628 O LYS A 38 -3.921 1.414 18.960 1.00 0.00 O ATOM 629 CB LYS A 38 -0.796 2.264 19.999 1.00 0.00 C ATOM 630 CG LYS A 38 0.163 2.158 21.193 1.00 0.00 C ATOM 631 CD LYS A 38 1.224 3.258 21.075 1.00 0.00 C ATOM 632 CE LYS A 38 2.269 3.115 22.185 1.00 0.00 C ATOM 633 NZ LYS A 38 1.676 3.512 23.480 1.00 0.00 N ATOM 0 H LYS A 38 0.016 0.055 19.500 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.331 0.995 20.899 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.228 2.301 19.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.366 3.191 20.062 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.386 2.263 22.129 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.637 1.177 21.210 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.709 3.201 20.101 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.750 4.237 21.138 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.621 2.085 22.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.136 3.738 21.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.416 3.528 24.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.254 4.459 23.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.940 2.829 23.749 1.00 0.00 H new ATOM 647 N TYR A 39 -2.112 1.268 17.622 1.00 0.00 N ATOM 648 CA TYR A 39 -2.794 1.527 16.361 1.00 0.00 C ATOM 649 C TYR A 39 -2.612 0.341 15.445 1.00 0.00 C ATOM 650 O TYR A 39 -1.891 -0.591 15.774 1.00 0.00 O ATOM 651 CB TYR A 39 -2.187 2.770 15.686 1.00 0.00 C ATOM 652 CG TYR A 39 -1.792 3.782 16.735 1.00 0.00 C ATOM 653 CD1 TYR A 39 -2.771 4.423 17.502 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.438 4.069 16.947 1.00 0.00 C ATOM 655 CE1 TYR A 39 -2.395 5.348 18.477 1.00 0.00 C ATOM 656 CE2 TYR A 39 -0.063 4.991 17.923 1.00 0.00 C ATOM 657 CZ TYR A 39 -1.040 5.632 18.689 1.00 0.00 C ATOM 658 OH TYR A 39 -0.671 6.541 19.655 1.00 0.00 O ATOM 0 H TYR A 39 -1.111 1.111 17.509 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.853 1.695 16.555 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.316 2.485 15.096 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.908 3.210 14.997 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.816 4.202 17.340 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.317 3.575 16.353 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.149 5.845 19.069 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.982 5.210 18.087 1.00 0.00 H new ATOM 0 HH TYR A 39 0.306 6.621 19.673 1.00 0.00 H new ATOM 668 N ASN A 40 -3.115 0.442 14.240 1.00 0.00 N ATOM 669 CA ASN A 40 -2.682 -0.492 13.217 1.00 0.00 C ATOM 670 C ASN A 40 -1.263 -0.062 12.849 1.00 0.00 C ATOM 671 O ASN A 40 -0.790 0.955 13.365 1.00 0.00 O ATOM 672 CB ASN A 40 -3.600 -0.438 11.987 1.00 0.00 C ATOM 673 CG ASN A 40 -4.338 -1.765 11.829 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.780 -2.831 12.128 1.00 0.00 O ATOM 675 ND2 ASN A 40 -5.551 -1.774 11.378 1.00 0.00 N ATOM 0 H ASN A 40 -3.802 1.135 13.944 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.717 -1.520 13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.317 0.376 12.093 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.012 -0.230 11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.048 -2.658 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.010 -0.897 11.132 1.00 0.00 H new ATOM 682 N PRO A 41 -0.574 -0.750 11.983 1.00 0.00 N ATOM 683 CA PRO A 41 0.823 -0.302 11.638 1.00 0.00 C ATOM 684 C PRO A 41 0.805 1.137 11.115 1.00 0.00 C ATOM 685 O PRO A 41 -0.155 1.545 10.445 1.00 0.00 O ATOM 686 CB PRO A 41 1.253 -1.282 10.538 1.00 0.00 C ATOM 687 CG PRO A 41 0.412 -2.495 10.775 1.00 0.00 C ATOM 688 CD PRO A 41 -0.944 -1.967 11.237 1.00 0.00 C ATOM 0 HA PRO A 41 1.501 -0.306 12.492 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.081 -0.866 9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.316 -1.515 10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.313 -3.088 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.859 -3.141 11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.601 -1.744 10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.467 -2.687 11.867 1.00 0.00 H new ATOM 696 N SER A 42 1.809 1.927 11.483 1.00 0.00 N ATOM 697 CA SER A 42 1.825 3.331 11.101 1.00 0.00 C ATOM 698 C SER A 42 1.991 3.471 9.603 1.00 0.00 C ATOM 699 O SER A 42 2.857 2.827 9.002 1.00 0.00 O ATOM 700 CB SER A 42 2.945 4.080 11.827 1.00 0.00 C ATOM 701 OG SER A 42 2.938 3.730 13.209 1.00 0.00 O ATOM 0 H SER A 42 2.610 1.623 12.037 1.00 0.00 H new ATOM 0 HA SER A 42 0.871 3.771 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.909 3.831 11.384 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.810 5.156 11.713 1.00 0.00 H new ATOM 0 HG SER A 42 2.958 2.754 13.299 1.00 0.00 H new ATOM 707 N LEU A 43 1.201 4.344 9.006 1.00 0.00 N ATOM 708 CA LEU A 43 1.273 4.565 7.573 1.00 0.00 C ATOM 709 C LEU A 43 2.640 5.094 7.194 1.00 0.00 C ATOM 710 O LEU A 43 3.263 4.608 6.260 1.00 0.00 O ATOM 711 CB LEU A 43 0.184 5.557 7.125 1.00 0.00 C ATOM 712 CG LEU A 43 -1.173 4.839 6.955 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.201 4.069 5.631 1.00 0.00 C ATOM 714 CD2 LEU A 43 -1.418 3.868 8.116 1.00 0.00 C ATOM 0 H LEU A 43 0.504 4.910 9.489 1.00 0.00 H new ATOM 0 HA LEU A 43 1.108 3.613 7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.089 6.356 7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.475 6.023 6.184 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.960 5.593 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.162 3.567 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.059 4.764 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.402 3.328 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.379 3.372 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.624 3.122 8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.426 4.420 9.056 1.00 0.00 H new ATOM 726 N GLN A 44 3.137 6.029 7.980 1.00 0.00 N ATOM 727 CA GLN A 44 4.442 6.618 7.725 1.00 0.00 C ATOM 728 C GLN A 44 5.507 5.537 7.728 1.00 0.00 C ATOM 729 O GLN A 44 6.302 5.428 6.796 1.00 0.00 O ATOM 730 CB GLN A 44 4.756 7.645 8.821 1.00 0.00 C ATOM 731 CG GLN A 44 3.803 8.840 8.704 1.00 0.00 C ATOM 732 CD GLN A 44 4.012 9.798 9.869 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.039 10.319 10.423 1.00 0.00 O ATOM 734 NE2 GLN A 44 5.214 10.060 10.282 1.00 0.00 N ATOM 0 H GLN A 44 2.659 6.399 8.801 1.00 0.00 H new ATOM 0 HA GLN A 44 4.432 7.107 6.751 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.656 7.184 9.803 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.789 7.982 8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.975 9.360 7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.771 8.491 8.692 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.016 9.629 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.356 10.697 11.066 1.00 0.00 H new ATOM 743 N LEU A 45 5.468 4.695 8.738 1.00 0.00 N ATOM 744 CA LEU A 45 6.374 3.565 8.829 1.00 0.00 C ATOM 745 C LEU A 45 6.088 2.542 7.736 1.00 0.00 C ATOM 746 O LEU A 45 7.004 1.869 7.242 1.00 0.00 O ATOM 747 CB LEU A 45 6.312 2.930 10.223 1.00 0.00 C ATOM 748 CG LEU A 45 6.887 3.928 11.249 1.00 0.00 C ATOM 749 CD1 LEU A 45 6.684 3.403 12.666 1.00 0.00 C ATOM 750 CD2 LEU A 45 8.382 4.123 11.000 1.00 0.00 C ATOM 0 H LEU A 45 4.813 4.771 9.516 1.00 0.00 H new ATOM 0 HA LEU A 45 7.389 3.930 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.283 2.678 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.881 2.001 10.240 1.00 0.00 H new ATOM 0 HG LEU A 45 6.367 4.879 11.137 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.094 4.117 13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.619 3.271 12.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.194 2.446 12.776 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.783 4.829 11.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.895 3.167 11.101 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.535 4.513 9.994 1.00 0.00 H new ATOM 762 N ALA A 46 4.804 2.339 7.461 1.00 0.00 N ATOM 763 CA ALA A 46 4.347 1.329 6.508 1.00 0.00 C ATOM 764 C ALA A 46 4.792 1.611 5.070 1.00 0.00 C ATOM 765 O ALA A 46 4.806 0.706 4.239 1.00 0.00 O ATOM 766 CB ALA A 46 2.824 1.190 6.554 1.00 0.00 C ATOM 0 H ALA A 46 4.048 2.870 7.893 1.00 0.00 H new ATOM 0 HA ALA A 46 4.815 0.394 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.506 0.433 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.516 0.892 7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.364 2.145 6.302 1.00 0.00 H new ATOM 772 N LEU A 47 5.038 2.871 4.744 1.00 0.00 N ATOM 773 CA LEU A 47 5.304 3.235 3.347 1.00 0.00 C ATOM 774 C LEU A 47 6.527 2.527 2.784 1.00 0.00 C ATOM 775 O LEU A 47 6.488 2.033 1.663 1.00 0.00 O ATOM 776 CB LEU A 47 5.450 4.758 3.180 1.00 0.00 C ATOM 777 CG LEU A 47 4.084 5.440 3.354 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.266 6.955 3.435 1.00 0.00 C ATOM 779 CD2 LEU A 47 3.182 5.104 2.159 1.00 0.00 C ATOM 0 H LEU A 47 5.061 3.648 5.405 1.00 0.00 H new ATOM 0 HA LEU A 47 4.438 2.902 2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.156 5.146 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.857 4.987 2.195 1.00 0.00 H new ATOM 0 HG LEU A 47 3.623 5.080 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.294 7.432 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.901 7.200 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.733 7.315 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.214 5.589 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.648 5.459 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.042 4.025 2.101 1.00 0.00 H new ATOM 791 N LYS A 48 7.596 2.441 3.556 1.00 0.00 N ATOM 792 CA LYS A 48 8.788 1.750 3.069 1.00 0.00 C ATOM 793 C LYS A 48 8.484 0.279 2.784 1.00 0.00 C ATOM 794 O LYS A 48 8.789 -0.232 1.705 1.00 0.00 O ATOM 795 CB LYS A 48 9.948 1.884 4.066 1.00 0.00 C ATOM 796 CG LYS A 48 9.555 1.274 5.416 1.00 0.00 C ATOM 797 CD LYS A 48 10.695 1.465 6.415 1.00 0.00 C ATOM 798 CE LYS A 48 10.315 0.814 7.747 1.00 0.00 C ATOM 799 NZ LYS A 48 9.162 1.546 8.339 1.00 0.00 N ATOM 0 H LYS A 48 7.669 2.827 4.497 1.00 0.00 H new ATOM 0 HA LYS A 48 9.092 2.222 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.833 1.382 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.208 2.935 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.647 1.747 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.336 0.213 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.611 1.020 6.028 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.893 2.527 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.055 -0.233 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.164 0.835 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.122 1.362 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.278 2.567 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.280 1.222 7.894 1.00 0.00 H new ATOM 813 N ILE A 49 7.827 -0.377 3.732 1.00 0.00 N ATOM 814 CA ILE A 49 7.445 -1.771 3.571 1.00 0.00 C ATOM 815 C ILE A 49 6.368 -1.919 2.497 1.00 0.00 C ATOM 816 O ILE A 49 6.277 -2.952 1.826 1.00 0.00 O ATOM 817 CB ILE A 49 7.011 -2.382 4.925 1.00 0.00 C ATOM 818 CG1 ILE A 49 6.821 -3.897 4.794 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.718 -1.741 5.423 1.00 0.00 C ATOM 820 CD1 ILE A 49 6.671 -4.518 6.188 1.00 0.00 C ATOM 0 H ILE A 49 7.548 0.036 4.622 1.00 0.00 H new ATOM 0 HA ILE A 49 8.315 -2.333 3.231 1.00 0.00 H new ATOM 0 HB ILE A 49 7.800 -2.183 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.938 -4.112 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.674 -4.338 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.434 -2.188 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.870 -0.670 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.925 -1.907 4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.536 -5.595 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.566 -4.315 6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.804 -4.086 6.687 1.00 0.00 H new ATOM 832 N ALA A 50 5.574 -0.866 2.319 1.00 0.00 N ATOM 833 CA ALA A 50 4.505 -0.872 1.330 1.00 0.00 C ATOM 834 C ALA A 50 5.052 -1.199 -0.042 1.00 0.00 C ATOM 835 O ALA A 50 4.449 -1.953 -0.790 1.00 0.00 O ATOM 836 CB ALA A 50 3.806 0.488 1.282 1.00 0.00 C ATOM 0 H ALA A 50 5.653 0.002 2.849 1.00 0.00 H new ATOM 0 HA ALA A 50 3.784 -1.636 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.011 0.462 0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.380 0.713 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.529 1.259 1.015 1.00 0.00 H new ATOM 842 N TYR A 51 6.198 -0.637 -0.373 1.00 0.00 N ATOM 843 CA TYR A 51 6.793 -0.905 -1.673 1.00 0.00 C ATOM 844 C TYR A 51 7.082 -2.389 -1.806 1.00 0.00 C ATOM 845 O TYR A 51 6.723 -3.021 -2.802 1.00 0.00 O ATOM 846 CB TYR A 51 8.081 -0.096 -1.855 1.00 0.00 C ATOM 847 CG TYR A 51 7.733 1.365 -2.014 1.00 0.00 C ATOM 848 CD1 TYR A 51 7.332 1.859 -3.260 1.00 0.00 C ATOM 849 CD2 TYR A 51 7.803 2.224 -0.914 1.00 0.00 C ATOM 850 CE1 TYR A 51 7.000 3.209 -3.403 1.00 0.00 C ATOM 851 CE2 TYR A 51 7.474 3.575 -1.058 1.00 0.00 C ATOM 852 CZ TYR A 51 7.072 4.067 -2.302 1.00 0.00 C ATOM 853 OH TYR A 51 6.743 5.397 -2.442 1.00 0.00 O ATOM 0 H TYR A 51 6.729 -0.004 0.225 1.00 0.00 H new ATOM 0 HA TYR A 51 6.090 -0.605 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.736 -0.234 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.626 -0.450 -2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.279 1.197 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.112 1.844 0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.688 3.589 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.531 4.238 -0.208 1.00 0.00 H new ATOM 0 HH TYR A 51 6.846 5.852 -1.580 1.00 0.00 H new ATOM 863 N TYR A 52 7.648 -2.962 -0.759 1.00 0.00 N ATOM 864 CA TYR A 52 7.918 -4.391 -0.724 1.00 0.00 C ATOM 865 C TYR A 52 6.617 -5.173 -0.759 1.00 0.00 C ATOM 866 O TYR A 52 6.502 -6.178 -1.464 1.00 0.00 O ATOM 867 CB TYR A 52 8.723 -4.751 0.521 1.00 0.00 C ATOM 868 CG TYR A 52 10.071 -4.074 0.442 1.00 0.00 C ATOM 869 CD1 TYR A 52 11.109 -4.653 -0.295 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.277 -2.859 1.102 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.351 -4.014 -0.368 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.514 -2.224 1.030 1.00 0.00 C ATOM 873 CZ TYR A 52 12.552 -2.800 0.295 1.00 0.00 C ATOM 874 OH TYR A 52 13.775 -2.172 0.225 1.00 0.00 O ATOM 0 H TYR A 52 7.931 -2.459 0.082 1.00 0.00 H new ATOM 0 HA TYR A 52 8.506 -4.655 -1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.193 -4.432 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 52 8.847 -5.832 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 52 10.952 -5.591 -0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 52 9.474 -2.412 1.669 1.00 0.00 H new ATOM 0 HE1 TYR A 52 13.155 -4.458 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.671 -1.286 1.542 1.00 0.00 H new ATOM 0 HH TYR A 52 13.745 -1.339 0.740 1.00 0.00 H new ATOM 884 N LEU A 53 5.625 -4.689 -0.027 1.00 0.00 N ATOM 885 CA LEU A 53 4.306 -5.309 -0.033 1.00 0.00 C ATOM 886 C LEU A 53 3.453 -4.685 -1.113 1.00 0.00 C ATOM 887 O LEU A 53 2.713 -3.737 -0.843 1.00 0.00 O ATOM 888 CB LEU A 53 3.607 -5.142 1.326 1.00 0.00 C ATOM 889 CG LEU A 53 4.363 -5.907 2.418 1.00 0.00 C ATOM 890 CD1 LEU A 53 3.744 -5.586 3.780 1.00 0.00 C ATOM 891 CD2 LEU A 53 4.244 -7.411 2.169 1.00 0.00 C ATOM 0 H LEU A 53 5.706 -3.871 0.577 1.00 0.00 H new ATOM 0 HA LEU A 53 4.434 -6.374 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.553 -4.085 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.582 -5.507 1.261 1.00 0.00 H new ATOM 0 HG LEU A 53 5.412 -5.612 2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.279 -6.128 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.815 -4.515 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.696 -5.886 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.782 -7.952 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.193 -7.701 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.671 -7.654 1.196 1.00 0.00 H new ATOM 903 N ASN A 54 3.561 -5.206 -2.337 1.00 0.00 N ATOM 904 CA ASN A 54 2.816 -4.657 -3.475 1.00 0.00 C ATOM 905 C ASN A 54 1.322 -4.638 -3.201 1.00 0.00 C ATOM 906 O ASN A 54 0.554 -5.429 -3.764 1.00 0.00 O ATOM 907 CB ASN A 54 3.104 -5.428 -4.761 1.00 0.00 C ATOM 908 CG ASN A 54 2.715 -4.572 -5.952 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.590 -4.047 -6.651 1.00 0.00 O ATOM 910 ND2 ASN A 54 1.463 -4.382 -6.224 1.00 0.00 N ATOM 0 H ASN A 54 4.154 -6.004 -2.566 1.00 0.00 H new ATOM 0 HA ASN A 54 3.156 -3.630 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.161 -5.688 -4.814 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.545 -6.363 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.196 -3.798 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.744 -4.816 -5.646 1.00 0.00 H new ATOM 917 N THR A 55 0.945 -3.770 -2.308 1.00 0.00 N ATOM 918 CA THR A 55 -0.410 -3.605 -1.849 1.00 0.00 C ATOM 919 C THR A 55 -0.551 -2.162 -1.378 1.00 0.00 C ATOM 920 O THR A 55 0.182 -1.738 -0.481 1.00 0.00 O ATOM 921 CB THR A 55 -0.649 -4.563 -0.665 1.00 0.00 C ATOM 922 OG1 THR A 55 0.590 -5.180 -0.297 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.657 -5.647 -1.057 1.00 0.00 C ATOM 0 H THR A 55 1.599 -3.129 -1.859 1.00 0.00 H new ATOM 0 HA THR A 55 -1.131 -3.824 -2.637 1.00 0.00 H new ATOM 0 HB THR A 55 -1.046 -3.995 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.269 -4.489 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.817 -6.317 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.602 -5.181 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.270 -6.215 -1.903 1.00 0.00 H new ATOM 931 N PRO A 56 -1.322 -1.358 -2.059 1.00 0.00 N ATOM 932 CA PRO A 56 -1.351 0.097 -1.730 1.00 0.00 C ATOM 933 C PRO A 56 -1.777 0.361 -0.283 1.00 0.00 C ATOM 934 O PRO A 56 -2.962 0.246 0.060 1.00 0.00 O ATOM 935 CB PRO A 56 -2.370 0.688 -2.722 1.00 0.00 C ATOM 936 CG PRO A 56 -2.521 -0.347 -3.787 1.00 0.00 C ATOM 937 CD PRO A 56 -2.321 -1.684 -3.090 1.00 0.00 C ATOM 0 HA PRO A 56 -0.362 0.547 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.323 0.893 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.015 1.631 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.505 -0.291 -4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.786 -0.204 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.248 -2.057 -2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.961 -2.450 -3.777 1.00 0.00 H new ATOM 945 N LEU A 57 -0.857 0.917 0.490 1.00 0.00 N ATOM 946 CA LEU A 57 -1.164 1.414 1.822 1.00 0.00 C ATOM 947 C LEU A 57 -2.136 2.549 1.689 1.00 0.00 C ATOM 948 O LEU A 57 -3.060 2.715 2.489 1.00 0.00 O ATOM 949 CB LEU A 57 0.111 1.920 2.518 1.00 0.00 C ATOM 950 CG LEU A 57 0.869 0.761 3.190 1.00 0.00 C ATOM 951 CD1 LEU A 57 0.221 0.441 4.533 1.00 0.00 C ATOM 952 CD2 LEU A 57 0.857 -0.492 2.302 1.00 0.00 C ATOM 0 H LEU A 57 0.118 1.036 0.214 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.589 0.608 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.758 2.409 1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.151 2.670 3.265 1.00 0.00 H new ATOM 0 HG LEU A 57 1.905 1.066 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.757 -0.380 5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.260 1.321 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.818 0.153 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.399 -1.296 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.173 -0.803 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.336 -0.267 1.349 1.00 0.00 H new ATOM 964 N GLU A 58 -1.895 3.341 0.673 1.00 0.00 N ATOM 965 CA GLU A 58 -2.684 4.511 0.392 1.00 0.00 C ATOM 966 C GLU A 58 -4.149 4.133 0.239 1.00 0.00 C ATOM 967 O GLU A 58 -5.036 4.898 0.617 1.00 0.00 O ATOM 968 CB GLU A 58 -2.178 5.204 -0.896 1.00 0.00 C ATOM 969 CG GLU A 58 -1.349 4.224 -1.766 1.00 0.00 C ATOM 970 CD GLU A 58 0.049 4.029 -1.200 1.00 0.00 C ATOM 971 OE1 GLU A 58 0.757 5.002 -1.071 1.00 0.00 O ATOM 972 OE2 GLU A 58 0.394 2.900 -0.907 1.00 0.00 O ATOM 0 H GLU A 58 -1.135 3.187 0.010 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.584 5.205 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.026 5.577 -1.470 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.567 6.068 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.859 3.262 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.281 4.607 -2.784 1.00 0.00 H new ATOM 979 N ASP A 59 -4.402 2.985 -0.378 1.00 0.00 N ATOM 980 CA ASP A 59 -5.771 2.534 -0.607 1.00 0.00 C ATOM 981 C ASP A 59 -6.448 2.114 0.692 1.00 0.00 C ATOM 982 O ASP A 59 -7.582 2.519 0.968 1.00 0.00 O ATOM 983 CB ASP A 59 -5.804 1.392 -1.632 1.00 0.00 C ATOM 984 CG ASP A 59 -7.229 1.092 -2.055 1.00 0.00 C ATOM 985 OD1 ASP A 59 -7.897 1.996 -2.508 1.00 0.00 O ATOM 986 OD2 ASP A 59 -7.635 -0.041 -1.927 1.00 0.00 O ATOM 0 H ASP A 59 -3.682 2.352 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.331 3.377 -1.012 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.210 1.663 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.351 0.498 -1.203 1.00 0.00 H new ATOM 991 N ILE A 60 -5.763 1.309 1.498 1.00 0.00 N ATOM 992 CA ILE A 60 -6.321 0.907 2.787 1.00 0.00 C ATOM 993 C ILE A 60 -6.295 2.083 3.767 1.00 0.00 C ATOM 994 O ILE A 60 -7.301 2.387 4.420 1.00 0.00 O ATOM 995 CB ILE A 60 -5.588 -0.328 3.357 1.00 0.00 C ATOM 996 CG1 ILE A 60 -6.372 -0.894 4.549 1.00 0.00 C ATOM 997 CG2 ILE A 60 -4.166 0.032 3.802 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.756 -2.227 4.976 1.00 0.00 C ATOM 0 H ILE A 60 -4.840 0.928 1.289 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.361 0.617 2.636 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.523 -1.079 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.351 -0.189 5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.418 -1.035 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.673 -0.856 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.602 0.409 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.210 0.799 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.312 -2.630 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.800 -2.931 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.717 -2.071 5.265 1.00 0.00 H new ATOM 1010 N PHE A 61 -5.164 2.799 3.762 1.00 0.00 N ATOM 1011 CA PHE A 61 -4.940 3.995 4.583 1.00 0.00 C ATOM 1012 C PHE A 61 -5.695 3.936 5.913 1.00 0.00 C ATOM 1013 O PHE A 61 -5.862 2.868 6.505 1.00 0.00 O ATOM 1014 CB PHE A 61 -5.331 5.258 3.801 1.00 0.00 C ATOM 1015 CG PHE A 61 -4.257 6.326 3.943 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -3.752 6.669 5.211 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -3.763 6.970 2.803 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -2.761 7.650 5.327 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -2.773 7.950 2.923 1.00 0.00 C ATOM 1020 CZ PHE A 61 -2.272 8.291 4.183 1.00 0.00 C ATOM 0 H PHE A 61 -4.364 2.559 3.176 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.876 4.032 4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.471 5.012 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.283 5.640 4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.129 6.175 6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.147 6.709 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.373 7.913 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.395 8.445 2.041 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.508 9.049 4.273 1.00 0.00 H new