USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 953 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 51 GLN : amide:sc= 0 K(o=0.032,f=-2.1) USER MOD Set 1.2: A 53 THR OG1 : rot -151:sc= 0.032 USER MOD Set 2.1: A 22 MET CE :methyl -133:sc= -0.141 (180deg=-0.524) USER MOD Set 2.2: A 104 ASN : amide:sc= -0.836 K(o=-0.98,f=-2.6) USER MOD Set 3.1: A 18 HIS : no HD1:sc= 1.07 K(o=2.5,f=-6.7!) USER MOD Set 3.2: A 81 TYR OH : rot -97:sc= 1.39 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.0014 (180deg=-0.157) USER MOD Single : A 6 GLN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 14 CYS SG : rot 72:sc= 0.298 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 156:sc= -0.0613 (180deg=-0.365) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.812) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 35 SER OG : rot 77:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ -142:sc= 0.729 (180deg=0.101) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -33:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot 14:sc= 0.254 USER MOD Single : A 40 SER OG : rot -160:sc= -0.6 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.153 F(o=-1.6!,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 1.24 (180deg=1.1) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.269 F(o=-3.3!,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 1:sc= 1.09 USER MOD Single : A 73 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 80:sc= 0.541 USER MOD Single : A 80 HIS : no HE2:sc= -0.407 K(o=-0.41,f=-4!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 81:sc= 0.158 USER MOD Single : A 87 SER OG : rot -138:sc= -1.24 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.35 K(o=-0.35,f=-6.2!) USER MOD Single : A 107 MET CE :methyl 144:sc= -0.425 (180deg=-0.488) USER MOD Single : A 108 LYS NZ :NH3+ -119:sc= 1.17 (180deg=-1.45) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.383 18.900 3.411 1.00 0.00 N ATOM 2 CA MET A 1 -17.989 19.307 3.698 1.00 0.00 C ATOM 3 C MET A 1 -17.038 18.577 2.760 1.00 0.00 C ATOM 4 O MET A 1 -17.369 17.505 2.254 1.00 0.00 O ATOM 5 CB MET A 1 -17.631 19.001 5.155 1.00 0.00 C ATOM 6 CG MET A 1 -18.635 19.549 6.155 1.00 0.00 C ATOM 7 SD MET A 1 -18.976 21.301 5.908 1.00 0.00 S ATOM 8 CE MET A 1 -20.554 21.458 6.740 1.00 0.00 C ATOM 0 H1 MET A 1 -20.011 19.724 3.503 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.443 18.526 2.443 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.676 18.164 4.085 1.00 0.00 H new ATOM 0 HA MET A 1 -17.895 20.381 3.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.555 17.921 5.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.648 19.417 5.374 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.565 18.987 6.075 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.256 19.396 7.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.899 22.490 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.283 20.801 6.265 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.442 21.179 7.788 1.00 0.00 H new ATOM 18 N VAL A 2 -15.866 19.150 2.519 1.00 0.00 N ATOM 19 CA VAL A 2 -14.889 18.532 1.631 1.00 0.00 C ATOM 20 C VAL A 2 -13.470 18.669 2.169 1.00 0.00 C ATOM 21 O VAL A 2 -12.887 19.756 2.168 1.00 0.00 O ATOM 22 CB VAL A 2 -14.935 19.113 0.201 1.00 0.00 C ATOM 23 CG1 VAL A 2 -15.978 18.394 -0.642 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.209 20.613 0.220 1.00 0.00 C ATOM 0 H VAL A 2 -15.569 20.038 2.924 1.00 0.00 H new ATOM 0 HA VAL A 2 -15.163 17.478 1.588 1.00 0.00 H new ATOM 0 HB VAL A 2 -13.955 18.955 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -15.992 18.820 -1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -15.730 17.334 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.960 18.512 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -15.235 20.991 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.169 20.801 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.419 21.120 0.774 1.00 0.00 H new ATOM 34 N ASP A 3 -12.923 17.557 2.621 1.00 0.00 N ATOM 35 CA ASP A 3 -11.564 17.523 3.155 1.00 0.00 C ATOM 36 C ASP A 3 -10.884 16.214 2.768 1.00 0.00 C ATOM 37 O ASP A 3 -9.876 15.814 3.353 1.00 0.00 O ATOM 38 CB ASP A 3 -11.549 17.720 4.684 1.00 0.00 C ATOM 39 CG ASP A 3 -12.860 17.353 5.359 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.060 16.161 5.664 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.682 18.267 5.603 1.00 0.00 O ATOM 0 H ASP A 3 -13.399 16.655 2.631 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.007 18.352 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.749 17.116 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.315 18.761 4.905 1.00 0.00 H new ATOM 46 N LEU A 4 -11.423 15.599 1.721 1.00 0.00 N ATOM 47 CA LEU A 4 -10.923 14.332 1.176 1.00 0.00 C ATOM 48 C LEU A 4 -9.594 14.528 0.443 1.00 0.00 C ATOM 49 O LEU A 4 -9.075 13.621 -0.201 1.00 0.00 O ATOM 50 CB LEU A 4 -11.958 13.742 0.220 1.00 0.00 C ATOM 51 CG LEU A 4 -12.525 14.736 -0.794 1.00 0.00 C ATOM 52 CD1 LEU A 4 -12.495 14.155 -2.202 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.943 15.133 -0.413 1.00 0.00 C ATOM 0 H LEU A 4 -12.230 15.967 1.217 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.753 13.647 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.503 12.911 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.781 13.330 0.805 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.898 15.628 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.904 14.882 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.466 13.923 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.093 13.245 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.332 15.841 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.576 14.246 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.938 15.597 0.573 1.00 0.00 H new ATOM 65 N GLU A 5 -9.088 15.735 0.502 1.00 0.00 N ATOM 66 CA GLU A 5 -7.832 16.090 -0.140 1.00 0.00 C ATOM 67 C GLU A 5 -6.761 16.381 0.908 1.00 0.00 C ATOM 68 O GLU A 5 -5.702 16.929 0.596 1.00 0.00 O ATOM 69 CB GLU A 5 -8.040 17.324 -1.017 1.00 0.00 C ATOM 70 CG GLU A 5 -8.840 18.412 -0.319 1.00 0.00 C ATOM 71 CD GLU A 5 -8.629 19.781 -0.919 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.492 20.227 -1.698 1.00 0.00 O ATOM 73 OE2 GLU A 5 -7.606 20.422 -0.597 1.00 0.00 O ATOM 0 H GLU A 5 -9.533 16.508 0.998 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.501 15.253 -0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.069 17.724 -1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.554 17.031 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.900 18.161 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.564 18.438 0.735 1.00 0.00 H new ATOM 80 N GLN A 6 -7.035 16.018 2.157 1.00 0.00 N ATOM 81 CA GLN A 6 -6.085 16.279 3.241 1.00 0.00 C ATOM 82 C GLN A 6 -5.729 15.018 4.032 1.00 0.00 C ATOM 83 O GLN A 6 -4.575 14.816 4.400 1.00 0.00 O ATOM 84 CB GLN A 6 -6.655 17.332 4.193 1.00 0.00 C ATOM 85 CG GLN A 6 -5.690 17.759 5.287 1.00 0.00 C ATOM 86 CD GLN A 6 -6.397 18.341 6.494 1.00 0.00 C ATOM 87 OE1 GLN A 6 -5.918 18.225 7.621 1.00 0.00 O ATOM 88 NE2 GLN A 6 -7.538 18.973 6.270 1.00 0.00 N ATOM 0 H GLN A 6 -7.894 15.549 2.445 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.168 16.644 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.946 18.210 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.561 16.939 4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.096 16.900 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -4.996 18.498 4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.902 19.048 5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.054 19.386 7.047 1.00 0.00 H new ATOM 97 N GLU A 7 -6.714 14.165 4.269 1.00 0.00 N ATOM 98 CA GLU A 7 -6.511 12.934 5.046 1.00 0.00 C ATOM 99 C GLU A 7 -5.721 11.893 4.261 1.00 0.00 C ATOM 100 O GLU A 7 -5.421 10.816 4.767 1.00 0.00 O ATOM 101 CB GLU A 7 -7.864 12.353 5.459 1.00 0.00 C ATOM 102 CG GLU A 7 -9.036 13.131 4.899 1.00 0.00 C ATOM 103 CD GLU A 7 -10.331 12.868 5.647 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.340 12.524 5.001 1.00 0.00 O ATOM 105 OE2 GLU A 7 -10.340 13.011 6.891 1.00 0.00 O ATOM 0 H GLU A 7 -7.669 14.296 3.936 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.932 13.192 5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.927 11.318 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.931 12.339 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.810 14.197 4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.170 12.871 3.849 1.00 0.00 H new ATOM 112 N PHE A 8 -5.338 12.254 3.051 1.00 0.00 N ATOM 113 CA PHE A 8 -4.619 11.367 2.162 1.00 0.00 C ATOM 114 C PHE A 8 -3.305 12.042 1.854 1.00 0.00 C ATOM 115 O PHE A 8 -3.068 12.477 0.728 1.00 0.00 O ATOM 116 CB PHE A 8 -5.375 11.121 0.837 1.00 0.00 C ATOM 117 CG PHE A 8 -6.864 10.885 0.942 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.674 11.718 1.696 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.456 9.843 0.248 1.00 0.00 C ATOM 120 CE1 PHE A 8 -9.031 11.523 1.761 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.823 9.641 0.314 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.609 10.487 1.072 1.00 0.00 C ATOM 0 H PHE A 8 -5.519 13.177 2.657 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.495 10.397 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.211 11.980 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.927 10.258 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.229 12.536 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.845 9.183 -0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.644 12.185 2.355 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.275 8.823 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.677 10.333 1.122 1.00 0.00 H new ATOM 132 N ALA A 9 -2.467 12.174 2.858 1.00 0.00 N ATOM 133 CA ALA A 9 -1.231 12.846 2.671 1.00 0.00 C ATOM 134 C ALA A 9 -0.170 12.337 3.620 1.00 0.00 C ATOM 135 O ALA A 9 -0.254 11.228 4.151 1.00 0.00 O ATOM 136 CB ALA A 9 -1.451 14.344 2.830 1.00 0.00 C ATOM 0 H ALA A 9 -2.630 11.822 3.801 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.866 12.643 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.506 14.868 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.171 14.687 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.834 14.551 3.829 1.00 0.00 H new ATOM 142 N LEU A 10 0.800 13.183 3.831 1.00 0.00 N ATOM 143 CA LEU A 10 1.960 12.878 4.650 1.00 0.00 C ATOM 144 C LEU A 10 1.606 12.480 6.080 1.00 0.00 C ATOM 145 O LEU A 10 1.181 13.312 6.884 1.00 0.00 O ATOM 146 CB LEU A 10 2.885 14.078 4.670 1.00 0.00 C ATOM 147 CG LEU A 10 3.762 14.256 3.425 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.047 15.100 2.380 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.096 14.885 3.798 1.00 0.00 C ATOM 0 H LEU A 10 0.815 14.123 3.435 1.00 0.00 H new ATOM 0 HA LEU A 10 2.450 12.014 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.283 14.977 4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.534 14.000 5.542 1.00 0.00 H new ATOM 0 HG LEU A 10 3.953 13.272 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.687 15.214 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.118 14.609 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.823 16.082 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.705 15.004 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.924 15.861 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.616 14.241 4.508 1.00 0.00 H new ATOM 161 N GLY A 11 1.795 11.200 6.379 1.00 0.00 N ATOM 162 CA GLY A 11 1.537 10.682 7.713 1.00 0.00 C ATOM 163 C GLY A 11 0.067 10.619 8.042 1.00 0.00 C ATOM 164 O GLY A 11 -0.317 10.433 9.202 1.00 0.00 O ATOM 0 H GLY A 11 2.127 10.502 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.967 9.684 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.042 11.311 8.446 1.00 0.00 H new ATOM 168 N GLY A 12 -0.755 10.755 7.020 1.00 0.00 N ATOM 169 CA GLY A 12 -2.180 10.719 7.214 1.00 0.00 C ATOM 170 C GLY A 12 -2.683 9.307 7.379 1.00 0.00 C ATOM 171 O GLY A 12 -2.059 8.359 6.900 1.00 0.00 O ATOM 0 H GLY A 12 -0.457 10.890 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.443 11.305 8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.675 11.185 6.362 1.00 0.00 H new ATOM 175 N ARG A 13 -3.792 9.155 8.073 1.00 0.00 N ATOM 176 CA ARG A 13 -4.369 7.844 8.276 1.00 0.00 C ATOM 177 C ARG A 13 -5.559 7.680 7.357 1.00 0.00 C ATOM 178 O ARG A 13 -6.518 8.441 7.434 1.00 0.00 O ATOM 179 CB ARG A 13 -4.785 7.638 9.731 1.00 0.00 C ATOM 180 CG ARG A 13 -3.692 7.044 10.603 1.00 0.00 C ATOM 181 CD ARG A 13 -2.731 8.115 11.091 1.00 0.00 C ATOM 182 NE ARG A 13 -3.348 8.974 12.099 1.00 0.00 N ATOM 183 CZ ARG A 13 -2.913 10.190 12.414 1.00 0.00 C ATOM 184 NH1 ARG A 13 -1.874 10.728 11.779 1.00 0.00 N ATOM 185 NH2 ARG A 13 -3.529 10.876 13.357 1.00 0.00 N ATOM 0 H ARG A 13 -4.310 9.921 8.504 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.618 7.090 8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.091 8.596 10.151 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.656 6.984 9.761 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.141 6.538 11.458 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.143 6.290 10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.842 7.643 11.509 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.403 8.722 10.247 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.166 8.617 12.593 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.402 10.206 11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.550 11.662 12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.333 10.473 13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.202 11.810 13.605 1.00 0.00 H new ATOM 199 N CYS A 14 -5.479 6.708 6.475 1.00 0.00 N ATOM 200 CA CYS A 14 -6.545 6.458 5.535 1.00 0.00 C ATOM 201 C CYS A 14 -6.898 4.987 5.506 1.00 0.00 C ATOM 202 O CYS A 14 -6.213 4.156 6.111 1.00 0.00 O ATOM 203 CB CYS A 14 -6.137 6.917 4.136 1.00 0.00 C ATOM 204 SG CYS A 14 -6.749 8.555 3.695 1.00 0.00 S ATOM 0 H CYS A 14 -4.683 6.076 6.391 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.420 7.023 5.856 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.049 6.916 4.067 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.503 6.195 3.406 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.105 9.456 4.375 1.00 0.00 H new ATOM 210 N LEU A 15 -7.974 4.678 4.812 1.00 0.00 N ATOM 211 CA LEU A 15 -8.423 3.314 4.661 1.00 0.00 C ATOM 212 C LEU A 15 -8.062 2.862 3.266 1.00 0.00 C ATOM 213 O LEU A 15 -8.247 3.606 2.308 1.00 0.00 O ATOM 214 CB LEU A 15 -9.931 3.207 4.873 1.00 0.00 C ATOM 215 CG LEU A 15 -10.401 3.471 6.298 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.915 3.412 6.367 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.786 2.473 7.261 1.00 0.00 C ATOM 0 H LEU A 15 -8.559 5.366 4.338 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.942 2.682 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.427 3.912 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.254 2.208 4.579 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.075 4.469 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.240 3.602 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -12.339 4.167 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.255 2.424 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.135 2.680 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.080 1.463 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.700 2.557 7.228 1.00 0.00 H new ATOM 229 N ALA A 16 -7.562 1.660 3.137 1.00 0.00 N ATOM 230 CA ALA A 16 -7.166 1.189 1.826 1.00 0.00 C ATOM 231 C ALA A 16 -7.808 -0.148 1.541 1.00 0.00 C ATOM 232 O ALA A 16 -8.065 -0.923 2.457 1.00 0.00 O ATOM 233 CB ALA A 16 -5.650 1.145 1.702 1.00 0.00 C ATOM 0 H ALA A 16 -7.420 1.000 3.901 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.520 1.890 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.376 0.788 0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.243 2.145 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.243 0.470 2.455 1.00 0.00 H new ATOM 239 N PHE A 17 -8.074 -0.415 0.277 1.00 0.00 N ATOM 240 CA PHE A 17 -8.737 -1.645 -0.102 1.00 0.00 C ATOM 241 C PHE A 17 -7.745 -2.726 -0.485 1.00 0.00 C ATOM 242 O PHE A 17 -7.161 -2.704 -1.567 1.00 0.00 O ATOM 243 CB PHE A 17 -9.712 -1.391 -1.250 1.00 0.00 C ATOM 244 CG PHE A 17 -11.139 -1.257 -0.800 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.857 -2.372 -0.393 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.761 -0.021 -0.782 1.00 0.00 C ATOM 247 CE1 PHE A 17 -13.170 -2.254 0.025 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.074 0.102 -0.364 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.779 -1.016 0.038 1.00 0.00 C ATOM 0 H PHE A 17 -7.842 0.202 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.292 -2.000 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.417 -0.482 -1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.640 -2.209 -1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.385 -3.343 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.216 0.856 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.718 -3.130 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.548 1.072 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.805 -0.921 0.362 1.00 0.00 H new ATOM 259 N HIS A 18 -7.553 -3.660 0.424 1.00 0.00 N ATOM 260 CA HIS A 18 -6.676 -4.787 0.195 1.00 0.00 C ATOM 261 C HIS A 18 -7.562 -5.989 -0.067 1.00 0.00 C ATOM 262 O HIS A 18 -8.157 -6.552 0.856 1.00 0.00 O ATOM 263 CB HIS A 18 -5.758 -5.036 1.397 1.00 0.00 C ATOM 264 CG HIS A 18 -4.535 -5.836 1.055 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.294 -5.251 0.968 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.418 -7.158 0.784 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.456 -6.222 0.650 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.091 -7.397 0.522 1.00 0.00 N ATOM 0 H HIS A 18 -8.000 -3.658 1.341 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.022 -4.593 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.451 -4.077 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.320 -5.557 2.172 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.216 -7.886 0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.394 -6.087 0.511 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.670 -8.293 0.278 1.00 0.00 H new ATOM 276 N GLY A 19 -7.692 -6.343 -1.333 1.00 0.00 N ATOM 277 CA GLY A 19 -8.548 -7.445 -1.694 1.00 0.00 C ATOM 278 C GLY A 19 -10.003 -7.039 -1.578 1.00 0.00 C ATOM 279 O GLY A 19 -10.447 -6.127 -2.276 1.00 0.00 O ATOM 0 H GLY A 19 -7.221 -5.887 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.332 -7.763 -2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.348 -8.298 -1.045 1.00 0.00 H new ATOM 283 N PRO A 20 -10.775 -7.691 -0.695 1.00 0.00 N ATOM 284 CA PRO A 20 -12.174 -7.375 -0.481 1.00 0.00 C ATOM 285 C PRO A 20 -12.425 -6.454 0.709 1.00 0.00 C ATOM 286 O PRO A 20 -13.556 -6.019 0.918 1.00 0.00 O ATOM 287 CB PRO A 20 -12.785 -8.744 -0.177 1.00 0.00 C ATOM 288 CG PRO A 20 -11.644 -9.634 0.241 1.00 0.00 C ATOM 289 CD PRO A 20 -10.370 -8.829 0.129 1.00 0.00 C ATOM 0 HA PRO A 20 -12.589 -6.848 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.530 -8.670 0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.291 -9.147 -1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.787 -9.984 1.263 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.595 -10.518 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.006 -8.511 1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.570 -9.402 -0.339 1.00 0.00 H new ATOM 297 N LEU A 21 -11.395 -6.142 1.485 1.00 0.00 N ATOM 298 CA LEU A 21 -11.607 -5.319 2.664 1.00 0.00 C ATOM 299 C LEU A 21 -10.737 -4.081 2.724 1.00 0.00 C ATOM 300 O LEU A 21 -9.800 -3.899 1.955 1.00 0.00 O ATOM 301 CB LEU A 21 -11.391 -6.143 3.929 1.00 0.00 C ATOM 302 CG LEU A 21 -12.583 -6.999 4.339 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.447 -7.437 5.783 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.877 -6.229 4.149 1.00 0.00 C ATOM 0 H LEU A 21 -10.432 -6.437 1.325 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.638 -4.973 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.528 -6.792 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.146 -5.468 4.749 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.605 -7.885 3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.306 -8.048 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.534 -8.020 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.403 -6.559 6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.719 -6.854 4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.858 -5.329 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.984 -5.950 3.101 1.00 0.00 H new ATOM 316 N MET A 22 -11.086 -3.246 3.687 1.00 0.00 N ATOM 317 CA MET A 22 -10.409 -2.004 3.953 1.00 0.00 C ATOM 318 C MET A 22 -9.504 -2.153 5.159 1.00 0.00 C ATOM 319 O MET A 22 -9.841 -2.846 6.122 1.00 0.00 O ATOM 320 CB MET A 22 -11.439 -0.901 4.214 1.00 0.00 C ATOM 321 CG MET A 22 -11.604 0.048 3.039 1.00 0.00 C ATOM 322 SD MET A 22 -12.772 1.375 3.370 1.00 0.00 S ATOM 323 CE MET A 22 -14.291 0.453 3.589 1.00 0.00 C ATOM 0 H MET A 22 -11.868 -3.424 4.317 1.00 0.00 H new ATOM 0 HA MET A 22 -9.804 -1.737 3.087 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.402 -1.358 4.443 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.139 -0.332 5.094 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.635 0.478 2.787 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.939 -0.515 2.168 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.088 0.922 3.012 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.148 -0.571 3.244 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.563 0.445 4.644 1.00 0.00 H new ATOM 333 N TYR A 23 -8.360 -1.511 5.097 1.00 0.00 N ATOM 334 CA TYR A 23 -7.399 -1.546 6.183 1.00 0.00 C ATOM 335 C TYR A 23 -6.897 -0.148 6.469 1.00 0.00 C ATOM 336 O TYR A 23 -6.628 0.620 5.545 1.00 0.00 O ATOM 337 CB TYR A 23 -6.212 -2.449 5.838 1.00 0.00 C ATOM 338 CG TYR A 23 -6.501 -3.925 5.974 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.933 -4.461 7.179 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.337 -4.782 4.896 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.189 -5.812 7.307 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.592 -6.132 5.013 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.018 -6.642 6.220 1.00 0.00 C ATOM 344 OH TYR A 23 -7.273 -7.988 6.339 1.00 0.00 O ATOM 0 H TYR A 23 -8.067 -0.951 4.297 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.898 -1.948 7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.898 -2.244 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.374 -2.193 6.486 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.071 -3.811 8.030 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.004 -4.385 3.948 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.521 -6.215 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.459 -6.786 4.164 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.104 -8.430 5.481 1.00 0.00 H new ATOM 354 N GLU A 24 -6.804 0.190 7.740 1.00 0.00 N ATOM 355 CA GLU A 24 -6.304 1.487 8.132 1.00 0.00 C ATOM 356 C GLU A 24 -4.790 1.460 8.063 1.00 0.00 C ATOM 357 O GLU A 24 -4.152 0.489 8.477 1.00 0.00 O ATOM 358 CB GLU A 24 -6.763 1.863 9.541 1.00 0.00 C ATOM 359 CG GLU A 24 -6.442 0.807 10.583 1.00 0.00 C ATOM 360 CD GLU A 24 -7.523 -0.244 10.709 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.478 -1.245 9.961 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.438 -0.069 11.536 1.00 0.00 O ATOM 0 H GLU A 24 -7.069 -0.417 8.516 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.700 2.241 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.292 2.802 9.830 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.839 2.036 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.500 0.323 10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.297 1.290 11.550 1.00 0.00 H new ATOM 369 N ALA A 25 -4.214 2.501 7.522 1.00 0.00 N ATOM 370 CA ALA A 25 -2.776 2.564 7.398 1.00 0.00 C ATOM 371 C ALA A 25 -2.275 3.989 7.476 1.00 0.00 C ATOM 372 O ALA A 25 -3.039 4.944 7.315 1.00 0.00 O ATOM 373 CB ALA A 25 -2.340 1.924 6.093 1.00 0.00 C ATOM 0 H ALA A 25 -4.712 3.314 7.161 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.341 2.014 8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.255 1.976 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.656 0.881 6.076 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.796 2.455 5.257 1.00 0.00 H new ATOM 379 N LYS A 26 -0.990 4.120 7.736 1.00 0.00 N ATOM 380 CA LYS A 26 -0.358 5.415 7.828 1.00 0.00 C ATOM 381 C LYS A 26 0.412 5.678 6.542 1.00 0.00 C ATOM 382 O LYS A 26 1.318 4.916 6.188 1.00 0.00 O ATOM 383 CB LYS A 26 0.577 5.456 9.036 1.00 0.00 C ATOM 384 CG LYS A 26 0.955 6.864 9.467 1.00 0.00 C ATOM 385 CD LYS A 26 2.460 7.063 9.461 1.00 0.00 C ATOM 386 CE LYS A 26 2.893 8.043 10.540 1.00 0.00 C ATOM 387 NZ LYS A 26 2.694 7.487 11.904 1.00 0.00 N ATOM 0 H LYS A 26 -0.359 3.333 7.889 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.114 6.190 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.099 4.945 9.872 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.485 4.901 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.489 7.588 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.566 7.056 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.956 6.105 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.776 7.431 8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.944 8.296 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.326 8.969 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.338 7.960 12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.711 7.645 12.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.894 6.466 11.895 1.00 0.00 H new ATOM 401 N ILE A 27 0.034 6.730 5.832 1.00 0.00 N ATOM 402 CA ILE A 27 0.682 7.071 4.579 1.00 0.00 C ATOM 403 C ILE A 27 2.055 7.652 4.823 1.00 0.00 C ATOM 404 O ILE A 27 2.207 8.702 5.442 1.00 0.00 O ATOM 405 CB ILE A 27 -0.176 8.039 3.733 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.639 7.578 3.710 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.379 8.117 2.321 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.629 8.652 3.305 1.00 0.00 C ATOM 0 H ILE A 27 -0.719 7.362 6.104 1.00 0.00 H new ATOM 0 HA ILE A 27 0.792 6.147 4.011 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.138 9.031 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.731 6.738 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.906 7.210 4.700 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.229 8.800 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.406 8.480 2.353 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.359 7.126 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.638 8.240 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.570 9.484 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.392 9.005 2.301 1.00 0.00 H new ATOM 420 N LEU A 28 3.049 6.939 4.331 1.00 0.00 N ATOM 421 CA LEU A 28 4.429 7.328 4.496 1.00 0.00 C ATOM 422 C LEU A 28 4.971 8.054 3.268 1.00 0.00 C ATOM 423 O LEU A 28 5.840 8.916 3.382 1.00 0.00 O ATOM 424 CB LEU A 28 5.265 6.089 4.789 1.00 0.00 C ATOM 425 CG LEU A 28 6.534 6.377 5.557 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.237 6.528 7.040 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.572 5.296 5.316 1.00 0.00 C ATOM 0 H LEU A 28 2.919 6.074 3.806 1.00 0.00 H new ATOM 0 HA LEU A 28 4.489 8.026 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.661 5.380 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.523 5.605 3.847 1.00 0.00 H new ATOM 0 HG LEU A 28 6.946 7.319 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.163 6.735 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.539 7.352 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.796 5.606 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.476 5.527 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.177 4.334 5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.809 5.250 4.253 1.00 0.00 H new ATOM 439 N LYS A 29 4.480 7.690 2.091 1.00 0.00 N ATOM 440 CA LYS A 29 4.924 8.331 0.859 1.00 0.00 C ATOM 441 C LYS A 29 3.736 8.728 -0.006 1.00 0.00 C ATOM 442 O LYS A 29 2.835 7.931 -0.243 1.00 0.00 O ATOM 443 CB LYS A 29 5.840 7.416 0.038 1.00 0.00 C ATOM 444 CG LYS A 29 7.034 6.864 0.794 1.00 0.00 C ATOM 445 CD LYS A 29 8.031 6.219 -0.157 1.00 0.00 C ATOM 446 CE LYS A 29 9.188 5.585 0.593 1.00 0.00 C ATOM 447 NZ LYS A 29 10.382 5.386 -0.277 1.00 0.00 N ATOM 0 H LYS A 29 3.779 6.960 1.963 1.00 0.00 H new ATOM 0 HA LYS A 29 5.482 9.219 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.250 6.581 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.201 7.970 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.521 7.667 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.698 6.130 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.526 5.461 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.413 6.970 -0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.459 6.216 1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.872 4.624 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.936 4.578 0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.073 5.198 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.971 6.243 -0.260 1.00 0.00 H new ATOM 461 N ILE A 30 3.744 9.959 -0.474 1.00 0.00 N ATOM 462 CA ILE A 30 2.684 10.460 -1.343 1.00 0.00 C ATOM 463 C ILE A 30 3.166 10.365 -2.770 1.00 0.00 C ATOM 464 O ILE A 30 4.316 10.651 -3.033 1.00 0.00 O ATOM 465 CB ILE A 30 2.312 11.926 -1.025 1.00 0.00 C ATOM 466 CG1 ILE A 30 2.108 12.118 0.476 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.066 12.335 -1.790 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.228 11.066 1.098 1.00 0.00 C ATOM 0 H ILE A 30 4.475 10.640 -0.269 1.00 0.00 H new ATOM 0 HA ILE A 30 1.790 9.858 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 30 3.136 12.565 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.079 12.109 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.669 13.100 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.818 13.370 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.249 12.240 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.236 11.689 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.125 11.262 2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.245 11.090 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.676 10.083 0.951 1.00 0.00 H new ATOM 480 N TRP A 31 2.321 9.968 -3.692 1.00 0.00 N ATOM 481 CA TRP A 31 2.768 9.825 -5.059 1.00 0.00 C ATOM 482 C TRP A 31 2.101 10.804 -6.016 1.00 0.00 C ATOM 483 O TRP A 31 0.875 10.818 -6.147 1.00 0.00 O ATOM 484 CB TRP A 31 2.509 8.425 -5.555 1.00 0.00 C ATOM 485 CG TRP A 31 2.867 8.294 -6.986 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.031 8.357 -8.050 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.168 8.134 -7.498 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.744 8.216 -9.211 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.065 8.072 -8.894 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.413 8.023 -6.901 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.172 7.902 -9.702 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.513 7.856 -7.704 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.384 7.795 -9.094 1.00 0.00 C ATOM 0 H TRP A 31 1.340 9.742 -3.528 1.00 0.00 H new ATOM 0 HA TRP A 31 3.836 10.042 -5.046 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.087 7.714 -4.965 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.457 8.175 -5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.962 8.497 -7.992 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.354 8.218 -10.154 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.516 8.067 -5.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.079 7.856 -10.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.492 7.771 -7.256 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.268 7.660 -9.700 1.00 0.00 H new ATOM 504 N ASP A 32 2.938 11.549 -6.734 1.00 0.00 N ATOM 505 CA ASP A 32 2.497 12.528 -7.716 1.00 0.00 C ATOM 506 C ASP A 32 2.624 11.947 -9.133 1.00 0.00 C ATOM 507 O ASP A 32 3.729 11.747 -9.643 1.00 0.00 O ATOM 508 CB ASP A 32 3.330 13.805 -7.582 1.00 0.00 C ATOM 509 CG ASP A 32 3.031 14.815 -8.666 1.00 0.00 C ATOM 510 OD1 ASP A 32 2.194 15.710 -8.434 1.00 0.00 O ATOM 511 OD2 ASP A 32 3.631 14.720 -9.754 1.00 0.00 O ATOM 0 H ASP A 32 3.952 11.487 -6.647 1.00 0.00 H new ATOM 0 HA ASP A 32 1.450 12.772 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.140 14.257 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.389 13.548 -7.613 1.00 0.00 H new ATOM 516 N PRO A 33 1.476 11.685 -9.780 1.00 0.00 N ATOM 517 CA PRO A 33 1.405 11.101 -11.136 1.00 0.00 C ATOM 518 C PRO A 33 1.689 12.104 -12.250 1.00 0.00 C ATOM 519 O PRO A 33 1.628 11.766 -13.435 1.00 0.00 O ATOM 520 CB PRO A 33 -0.058 10.680 -11.223 1.00 0.00 C ATOM 521 CG PRO A 33 -0.775 11.683 -10.393 1.00 0.00 C ATOM 522 CD PRO A 33 0.131 11.947 -9.229 1.00 0.00 C ATOM 0 HA PRO A 33 2.144 10.310 -11.269 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.414 10.687 -12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.205 9.669 -10.842 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.968 12.596 -10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.741 11.302 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.036 12.972 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.094 11.292 -8.387 1.00 0.00 H new ATOM 530 N SER A 34 2.011 13.323 -11.867 1.00 0.00 N ATOM 531 CA SER A 34 2.243 14.393 -12.827 1.00 0.00 C ATOM 532 C SER A 34 3.720 14.538 -13.180 1.00 0.00 C ATOM 533 O SER A 34 4.066 15.014 -14.264 1.00 0.00 O ATOM 534 CB SER A 34 1.696 15.704 -12.257 1.00 0.00 C ATOM 535 OG SER A 34 1.070 15.483 -10.998 1.00 0.00 O ATOM 0 H SER A 34 2.119 13.602 -10.892 1.00 0.00 H new ATOM 0 HA SER A 34 1.722 14.143 -13.751 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.507 16.424 -12.144 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.979 16.138 -12.954 1.00 0.00 H new ATOM 0 HG SER A 34 0.728 16.333 -10.649 1.00 0.00 H new ATOM 541 N SER A 35 4.585 14.120 -12.275 1.00 0.00 N ATOM 542 CA SER A 35 6.017 14.225 -12.491 1.00 0.00 C ATOM 543 C SER A 35 6.686 12.864 -12.360 1.00 0.00 C ATOM 544 O SER A 35 7.774 12.640 -12.896 1.00 0.00 O ATOM 545 CB SER A 35 6.605 15.204 -11.482 1.00 0.00 C ATOM 546 OG SER A 35 5.598 16.062 -10.967 1.00 0.00 O ATOM 0 H SER A 35 4.321 13.704 -11.382 1.00 0.00 H new ATOM 0 HA SER A 35 6.198 14.590 -13.502 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.073 14.654 -10.666 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.387 15.797 -11.957 1.00 0.00 H new ATOM 0 HG SER A 35 5.064 15.578 -10.302 1.00 0.00 H new ATOM 552 N LYS A 36 6.039 11.990 -11.588 1.00 0.00 N ATOM 553 CA LYS A 36 6.491 10.631 -11.351 1.00 0.00 C ATOM 554 C LYS A 36 7.493 10.631 -10.226 1.00 0.00 C ATOM 555 O LYS A 36 8.531 9.966 -10.248 1.00 0.00 O ATOM 556 CB LYS A 36 7.032 9.935 -12.594 1.00 0.00 C ATOM 557 CG LYS A 36 6.959 8.439 -12.440 1.00 0.00 C ATOM 558 CD LYS A 36 7.337 7.697 -13.709 1.00 0.00 C ATOM 559 CE LYS A 36 7.159 6.196 -13.537 1.00 0.00 C ATOM 560 NZ LYS A 36 7.263 5.461 -14.827 1.00 0.00 N ATOM 0 H LYS A 36 5.171 12.217 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 36 5.620 10.042 -11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.459 10.244 -13.468 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.065 10.238 -12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.622 8.129 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.947 8.158 -12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.720 8.047 -14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.373 7.917 -13.968 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.914 5.820 -12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.187 5.997 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.572 4.683 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.067 6.112 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.223 5.073 -14.929 1.00 0.00 H new ATOM 574 N MET A 37 7.139 11.416 -9.249 1.00 0.00 N ATOM 575 CA MET A 37 7.869 11.582 -8.053 1.00 0.00 C ATOM 576 C MET A 37 6.926 11.230 -6.929 1.00 0.00 C ATOM 577 O MET A 37 5.728 11.046 -7.144 1.00 0.00 O ATOM 578 CB MET A 37 8.333 13.034 -7.894 1.00 0.00 C ATOM 579 CG MET A 37 9.030 13.606 -9.115 1.00 0.00 C ATOM 580 SD MET A 37 9.176 15.402 -9.043 1.00 0.00 S ATOM 581 CE MET A 37 10.362 15.710 -10.350 1.00 0.00 C ATOM 0 H MET A 37 6.289 11.980 -9.280 1.00 0.00 H new ATOM 0 HA MET A 37 8.758 10.951 -8.054 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.469 13.655 -7.660 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.010 13.095 -7.042 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.024 13.166 -9.202 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.477 13.325 -10.011 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.552 16.781 -10.424 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.294 15.191 -10.126 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.963 15.346 -11.297 1.00 0.00 H new ATOM 591 N TYR A 38 7.449 11.182 -5.749 1.00 0.00 N ATOM 592 CA TYR A 38 6.680 10.844 -4.588 1.00 0.00 C ATOM 593 C TYR A 38 7.249 11.627 -3.421 1.00 0.00 C ATOM 594 O TYR A 38 8.393 12.084 -3.486 1.00 0.00 O ATOM 595 CB TYR A 38 6.742 9.340 -4.301 1.00 0.00 C ATOM 596 CG TYR A 38 8.117 8.833 -3.964 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.986 8.423 -4.959 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.541 8.764 -2.649 1.00 0.00 C ATOM 599 CE1 TYR A 38 10.248 7.963 -4.652 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.798 8.306 -2.329 1.00 0.00 C ATOM 601 CZ TYR A 38 10.651 7.905 -3.333 1.00 0.00 C ATOM 602 OH TYR A 38 11.907 7.444 -3.015 1.00 0.00 O ATOM 0 H TYR A 38 8.432 11.377 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 38 5.632 11.096 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.070 9.111 -3.474 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.371 8.800 -5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.671 8.464 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.873 9.075 -1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.918 7.650 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.114 8.261 -1.297 1.00 0.00 H new ATOM 0 HH TYR A 38 12.174 6.753 -3.656 1.00 0.00 H new ATOM 612 N THR A 39 6.481 11.807 -2.372 1.00 0.00 N ATOM 613 CA THR A 39 6.977 12.525 -1.230 1.00 0.00 C ATOM 614 C THR A 39 6.917 11.653 0.011 1.00 0.00 C ATOM 615 O THR A 39 5.848 11.342 0.534 1.00 0.00 O ATOM 616 CB THR A 39 6.240 13.854 -1.014 1.00 0.00 C ATOM 617 OG1 THR A 39 4.953 13.648 -0.414 1.00 0.00 O ATOM 618 CG2 THR A 39 6.069 14.584 -2.330 1.00 0.00 C ATOM 0 H THR A 39 5.522 11.469 -2.289 1.00 0.00 H new ATOM 0 HA THR A 39 8.019 12.776 -1.427 1.00 0.00 H new ATOM 0 HB THR A 39 6.846 14.457 -0.338 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.899 12.735 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.545 15.524 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.048 14.788 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.491 13.966 -3.017 1.00 0.00 H new ATOM 626 N SER A 40 8.084 11.248 0.448 1.00 0.00 N ATOM 627 CA SER A 40 8.228 10.389 1.606 1.00 0.00 C ATOM 628 C SER A 40 8.483 11.224 2.853 1.00 0.00 C ATOM 629 O SER A 40 8.794 12.407 2.767 1.00 0.00 O ATOM 630 CB SER A 40 9.396 9.418 1.375 1.00 0.00 C ATOM 631 OG SER A 40 9.472 8.430 2.389 1.00 0.00 O ATOM 0 H SER A 40 8.969 11.505 0.010 1.00 0.00 H new ATOM 0 HA SER A 40 7.308 9.823 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.279 8.934 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.331 9.977 1.342 1.00 0.00 H new ATOM 0 HG SER A 40 10.371 8.041 2.400 1.00 0.00 H new ATOM 637 N ILE A 41 8.304 10.630 4.012 1.00 0.00 N ATOM 638 CA ILE A 41 8.572 11.336 5.251 1.00 0.00 C ATOM 639 C ILE A 41 9.624 10.598 6.066 1.00 0.00 C ATOM 640 O ILE A 41 9.456 9.417 6.381 1.00 0.00 O ATOM 641 CB ILE A 41 7.313 11.476 6.124 1.00 0.00 C ATOM 642 CG1 ILE A 41 6.055 11.596 5.268 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.442 12.675 7.048 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.854 10.910 5.875 1.00 0.00 C ATOM 0 H ILE A 41 7.978 9.670 4.126 1.00 0.00 H new ATOM 0 HA ILE A 41 8.923 12.329 4.970 1.00 0.00 H new ATOM 0 HB ILE A 41 7.221 10.573 6.728 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.825 12.651 5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.251 11.169 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.544 12.761 7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.310 12.545 7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.565 13.581 6.454 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.994 11.033 5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.066 9.848 6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.634 11.353 6.846 1.00 0.00 H new ATOM 656 N PRO A 42 10.742 11.259 6.393 1.00 0.00 N ATOM 657 CA PRO A 42 11.786 10.648 7.202 1.00 0.00 C ATOM 658 C PRO A 42 11.347 10.517 8.657 1.00 0.00 C ATOM 659 O PRO A 42 11.165 11.511 9.361 1.00 0.00 O ATOM 660 CB PRO A 42 12.972 11.623 7.082 1.00 0.00 C ATOM 661 CG PRO A 42 12.597 12.575 5.990 1.00 0.00 C ATOM 662 CD PRO A 42 11.099 12.620 5.978 1.00 0.00 C ATOM 0 HA PRO A 42 12.031 9.640 6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 42 13.143 12.150 8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 42 13.893 11.093 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 42 13.016 13.564 6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.985 12.238 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.709 13.370 6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.707 12.860 4.989 1.00 0.00 H new ATOM 670 N ASN A 43 11.173 9.281 9.095 1.00 0.00 N ATOM 671 CA ASN A 43 10.769 8.994 10.467 1.00 0.00 C ATOM 672 C ASN A 43 11.241 7.599 10.851 1.00 0.00 C ATOM 673 O ASN A 43 10.794 7.016 11.838 1.00 0.00 O ATOM 674 CB ASN A 43 9.244 9.100 10.611 1.00 0.00 C ATOM 675 CG ASN A 43 8.791 9.253 12.056 1.00 0.00 C ATOM 676 OD1 ASN A 43 9.603 9.915 12.872 1.00 0.00 O flip ATOM 677 ND2 ASN A 43 7.714 8.788 12.435 1.00 0.00 N flip ATOM 0 H ASN A 43 11.306 8.452 8.516 1.00 0.00 H new ATOM 0 HA ASN A 43 11.225 9.725 11.135 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.889 9.953 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.782 8.210 10.184 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.116 8.285 11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.420 8.906 13.405 1.00 0.00 H new ATOM 684 N ASP A 44 12.161 7.076 10.054 1.00 0.00 N ATOM 685 CA ASP A 44 12.715 5.745 10.274 1.00 0.00 C ATOM 686 C ASP A 44 14.043 5.605 9.550 1.00 0.00 C ATOM 687 O ASP A 44 15.086 5.412 10.179 1.00 0.00 O ATOM 688 CB ASP A 44 11.746 4.661 9.791 1.00 0.00 C ATOM 689 CG ASP A 44 12.379 3.282 9.789 1.00 0.00 C ATOM 690 OD1 ASP A 44 12.773 2.809 8.706 1.00 0.00 O ATOM 691 OD2 ASP A 44 12.492 2.668 10.871 1.00 0.00 O ATOM 0 H ASP A 44 12.544 7.558 9.241 1.00 0.00 H new ATOM 0 HA ASP A 44 12.872 5.617 11.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.865 4.653 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.406 4.904 8.784 1.00 0.00 H new ATOM 696 N LYS A 45 13.993 5.715 8.227 1.00 0.00 N ATOM 697 CA LYS A 45 15.187 5.608 7.395 1.00 0.00 C ATOM 698 C LYS A 45 16.202 6.686 7.757 1.00 0.00 C ATOM 699 O LYS A 45 15.843 7.846 7.971 1.00 0.00 O ATOM 700 CB LYS A 45 14.831 5.694 5.902 1.00 0.00 C ATOM 701 CG LYS A 45 14.023 6.929 5.515 1.00 0.00 C ATOM 702 CD LYS A 45 14.237 7.293 4.053 1.00 0.00 C ATOM 703 CE LYS A 45 15.504 8.119 3.864 1.00 0.00 C ATOM 704 NZ LYS A 45 16.087 7.944 2.507 1.00 0.00 N ATOM 0 H LYS A 45 13.133 5.879 7.704 1.00 0.00 H new ATOM 0 HA LYS A 45 15.635 4.633 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.753 5.681 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.266 4.804 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.964 6.745 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.312 7.768 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.302 6.383 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.377 7.854 3.687 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.278 9.173 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.240 7.831 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.947 8.523 2.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.327 6.943 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.395 8.243 1.791 1.00 0.00 H new ATOM 718 N PRO A 46 17.480 6.299 7.852 1.00 0.00 N ATOM 719 CA PRO A 46 18.573 7.214 8.193 1.00 0.00 C ATOM 720 C PRO A 46 18.709 8.358 7.189 1.00 0.00 C ATOM 721 O PRO A 46 18.586 8.160 5.977 1.00 0.00 O ATOM 722 CB PRO A 46 19.819 6.323 8.161 1.00 0.00 C ATOM 723 CG PRO A 46 19.306 4.934 8.314 1.00 0.00 C ATOM 724 CD PRO A 46 17.963 4.923 7.648 1.00 0.00 C ATOM 0 HA PRO A 46 18.408 7.697 9.156 1.00 0.00 H new ATOM 0 HB2 PRO A 46 20.364 6.441 7.225 1.00 0.00 H new ATOM 0 HB3 PRO A 46 20.508 6.580 8.966 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.980 4.214 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.224 4.660 9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.040 4.675 6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 46 17.295 4.190 8.099 1.00 0.00 H new ATOM 732 N GLY A 47 18.958 9.550 7.706 1.00 0.00 N ATOM 733 CA GLY A 47 19.105 10.718 6.864 1.00 0.00 C ATOM 734 C GLY A 47 19.486 11.937 7.672 1.00 0.00 C ATOM 735 O GLY A 47 18.643 12.522 8.350 1.00 0.00 O ATOM 0 H GLY A 47 19.062 9.731 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 19.866 10.529 6.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.170 10.907 6.336 1.00 0.00 H new ATOM 739 N GLY A 48 20.754 12.309 7.622 1.00 0.00 N ATOM 740 CA GLY A 48 21.208 13.456 8.372 1.00 0.00 C ATOM 741 C GLY A 48 21.803 14.525 7.486 1.00 0.00 C ATOM 742 O GLY A 48 21.312 14.769 6.378 1.00 0.00 O ATOM 0 H GLY A 48 21.475 11.837 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.371 13.875 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.952 13.138 9.102 1.00 0.00 H new ATOM 746 N SER A 49 22.853 15.166 7.973 1.00 0.00 N ATOM 747 CA SER A 49 23.528 16.213 7.220 1.00 0.00 C ATOM 748 C SER A 49 24.292 15.618 6.044 1.00 0.00 C ATOM 749 O SER A 49 24.326 14.397 5.874 1.00 0.00 O ATOM 750 CB SER A 49 24.479 16.980 8.136 1.00 0.00 C ATOM 751 OG SER A 49 23.933 17.102 9.438 1.00 0.00 O ATOM 0 H SER A 49 23.258 14.979 8.890 1.00 0.00 H new ATOM 0 HA SER A 49 22.779 16.902 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 49 25.438 16.465 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.670 17.970 7.722 1.00 0.00 H new ATOM 0 HG SER A 49 24.558 17.595 10.010 1.00 0.00 H new ATOM 757 N SER A 50 24.863 16.493 5.217 1.00 0.00 N ATOM 758 CA SER A 50 25.639 16.095 4.035 1.00 0.00 C ATOM 759 C SER A 50 24.719 15.610 2.912 1.00 0.00 C ATOM 760 O SER A 50 24.950 15.899 1.739 1.00 0.00 O ATOM 761 CB SER A 50 26.675 15.020 4.393 1.00 0.00 C ATOM 762 OG SER A 50 27.413 15.387 5.550 1.00 0.00 O ATOM 0 H SER A 50 24.802 17.503 5.345 1.00 0.00 H new ATOM 0 HA SER A 50 26.175 16.974 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 50 26.172 14.069 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 50 27.356 14.873 3.555 1.00 0.00 H new ATOM 0 HG SER A 50 28.065 14.686 5.758 1.00 0.00 H new ATOM 768 N GLN A 51 23.678 14.871 3.278 1.00 0.00 N ATOM 769 CA GLN A 51 22.717 14.364 2.310 1.00 0.00 C ATOM 770 C GLN A 51 21.455 15.220 2.340 1.00 0.00 C ATOM 771 O GLN A 51 20.756 15.342 1.338 1.00 0.00 O ATOM 772 CB GLN A 51 22.365 12.907 2.617 1.00 0.00 C ATOM 773 CG GLN A 51 23.556 12.064 3.040 1.00 0.00 C ATOM 774 CD GLN A 51 23.171 10.634 3.354 1.00 0.00 C ATOM 775 OE1 GLN A 51 22.038 10.354 3.750 1.00 0.00 O ATOM 776 NE2 GLN A 51 24.112 9.720 3.186 1.00 0.00 N ATOM 0 H GLN A 51 23.479 14.609 4.244 1.00 0.00 H new ATOM 0 HA GLN A 51 23.163 14.412 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.616 12.883 3.408 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.910 12.459 1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 51 24.302 12.070 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 51 24.021 12.513 3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 51 25.037 9.995 2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 51 23.913 8.740 3.386 1.00 0.00 H new ATOM 785 N ALA A 52 21.176 15.804 3.511 1.00 0.00 N ATOM 786 CA ALA A 52 20.006 16.663 3.709 1.00 0.00 C ATOM 787 C ALA A 52 18.704 15.897 3.480 1.00 0.00 C ATOM 788 O ALA A 52 17.719 16.450 2.989 1.00 0.00 O ATOM 789 CB ALA A 52 20.075 17.888 2.808 1.00 0.00 C ATOM 0 H ALA A 52 21.754 15.694 4.345 1.00 0.00 H new ATOM 0 HA ALA A 52 20.016 16.998 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 52 19.196 18.511 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 52 20.973 18.460 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 52 20.105 17.572 1.765 1.00 0.00 H new ATOM 795 N THR A 53 18.698 14.631 3.884 1.00 0.00 N ATOM 796 CA THR A 53 17.535 13.765 3.741 1.00 0.00 C ATOM 797 C THR A 53 16.466 14.084 4.784 1.00 0.00 C ATOM 798 O THR A 53 15.565 13.287 5.028 1.00 0.00 O ATOM 799 CB THR A 53 17.962 12.293 3.862 1.00 0.00 C ATOM 800 OG1 THR A 53 19.368 12.230 4.149 1.00 0.00 O ATOM 801 CG2 THR A 53 17.675 11.545 2.573 1.00 0.00 C ATOM 0 H THR A 53 19.500 14.177 4.320 1.00 0.00 H new ATOM 0 HA THR A 53 17.104 13.942 2.756 1.00 0.00 H new ATOM 0 HB THR A 53 17.395 11.827 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.739 11.398 3.788 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.984 10.505 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.607 11.586 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 53 18.227 12.006 1.754 1.00 0.00 H new ATOM 809 N LYS A 54 16.574 15.264 5.386 1.00 0.00 N ATOM 810 CA LYS A 54 15.618 15.710 6.388 1.00 0.00 C ATOM 811 C LYS A 54 14.402 16.322 5.698 1.00 0.00 C ATOM 812 O LYS A 54 13.335 16.462 6.293 1.00 0.00 O ATOM 813 CB LYS A 54 16.257 16.741 7.326 1.00 0.00 C ATOM 814 CG LYS A 54 17.555 16.277 7.968 1.00 0.00 C ATOM 815 CD LYS A 54 18.365 17.460 8.470 1.00 0.00 C ATOM 816 CE LYS A 54 19.603 17.019 9.240 1.00 0.00 C ATOM 817 NZ LYS A 54 19.266 16.528 10.604 1.00 0.00 N ATOM 0 H LYS A 54 17.321 15.932 5.194 1.00 0.00 H new ATOM 0 HA LYS A 54 15.307 14.850 6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.448 17.656 6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.545 16.991 8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 54 17.335 15.604 8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 54 18.141 15.711 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.665 18.079 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.740 18.080 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.112 16.230 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 54 20.299 17.855 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 20.137 16.238 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.803 17.288 11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.623 15.714 10.531 1.00 0.00 H new ATOM 831 N GLU A 55 14.581 16.689 4.433 1.00 0.00 N ATOM 832 CA GLU A 55 13.516 17.292 3.644 1.00 0.00 C ATOM 833 C GLU A 55 13.236 16.465 2.406 1.00 0.00 C ATOM 834 O GLU A 55 13.927 16.594 1.396 1.00 0.00 O ATOM 835 CB GLU A 55 13.890 18.708 3.206 1.00 0.00 C ATOM 836 CG GLU A 55 14.576 19.538 4.272 1.00 0.00 C ATOM 837 CD GLU A 55 15.256 20.752 3.681 1.00 0.00 C ATOM 838 OE1 GLU A 55 15.073 21.009 2.466 1.00 0.00 O ATOM 839 OE2 GLU A 55 15.981 21.450 4.414 1.00 0.00 O ATOM 0 H GLU A 55 15.462 16.577 3.930 1.00 0.00 H new ATOM 0 HA GLU A 55 12.628 17.330 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.545 18.644 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.986 19.226 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.843 19.856 5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.312 18.926 4.793 1.00 0.00 H new ATOM 846 N ILE A 56 12.233 15.613 2.477 1.00 0.00 N ATOM 847 CA ILE A 56 11.884 14.801 1.335 1.00 0.00 C ATOM 848 C ILE A 56 10.948 15.558 0.416 1.00 0.00 C ATOM 849 O ILE A 56 9.736 15.628 0.640 1.00 0.00 O ATOM 850 CB ILE A 56 11.252 13.454 1.707 1.00 0.00 C ATOM 851 CG1 ILE A 56 12.248 12.585 2.483 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.789 12.740 0.442 1.00 0.00 C ATOM 853 CD1 ILE A 56 13.556 12.347 1.757 1.00 0.00 C ATOM 0 H ILE A 56 11.653 15.468 3.304 1.00 0.00 H new ATOM 0 HA ILE A 56 12.823 14.582 0.827 1.00 0.00 H new ATOM 0 HB ILE A 56 10.390 13.632 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.458 13.059 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.784 11.623 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.340 11.783 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.052 13.355 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.643 12.570 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.205 11.724 2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 56 13.360 11.843 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.045 13.302 1.565 1.00 0.00 H new ATOM 865 N LYS A 57 11.540 16.171 -0.579 1.00 0.00 N ATOM 866 CA LYS A 57 10.801 16.893 -1.587 1.00 0.00 C ATOM 867 C LYS A 57 10.383 15.879 -2.644 1.00 0.00 C ATOM 868 O LYS A 57 10.903 14.766 -2.636 1.00 0.00 O ATOM 869 CB LYS A 57 11.665 18.019 -2.178 1.00 0.00 C ATOM 870 CG LYS A 57 13.148 17.688 -2.251 1.00 0.00 C ATOM 871 CD LYS A 57 14.020 18.909 -1.977 1.00 0.00 C ATOM 872 CE LYS A 57 13.925 19.356 -0.524 1.00 0.00 C ATOM 873 NZ LYS A 57 14.954 20.381 -0.189 1.00 0.00 N ATOM 0 H LYS A 57 12.551 16.184 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 57 9.917 17.372 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.305 18.251 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.533 18.918 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.381 16.906 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.382 17.289 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 57 15.057 18.677 -2.219 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.716 19.727 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.932 19.763 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.046 18.493 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.138 20.366 0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.834 20.171 -0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.609 21.322 -0.465 1.00 0.00 H new ATOM 887 N PRO A 58 9.426 16.203 -3.527 1.00 0.00 N ATOM 888 CA PRO A 58 8.981 15.261 -4.557 1.00 0.00 C ATOM 889 C PRO A 58 10.157 14.669 -5.339 1.00 0.00 C ATOM 890 O PRO A 58 10.782 15.339 -6.159 1.00 0.00 O ATOM 891 CB PRO A 58 8.095 16.118 -5.466 1.00 0.00 C ATOM 892 CG PRO A 58 7.610 17.226 -4.592 1.00 0.00 C ATOM 893 CD PRO A 58 8.707 17.486 -3.595 1.00 0.00 C ATOM 0 HA PRO A 58 8.461 14.401 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.657 16.503 -6.317 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.264 15.539 -5.868 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.397 18.120 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.684 16.948 -4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.361 18.295 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.305 17.772 -2.623 1.00 0.00 H new ATOM 901 N GLN A 59 10.459 13.411 -5.048 1.00 0.00 N ATOM 902 CA GLN A 59 11.558 12.709 -5.688 1.00 0.00 C ATOM 903 C GLN A 59 11.023 11.590 -6.565 1.00 0.00 C ATOM 904 O GLN A 59 10.065 10.921 -6.201 1.00 0.00 O ATOM 905 CB GLN A 59 12.507 12.137 -4.633 1.00 0.00 C ATOM 906 CG GLN A 59 13.527 13.140 -4.123 1.00 0.00 C ATOM 907 CD GLN A 59 13.620 13.179 -2.607 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.305 12.067 -1.954 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 13.976 14.203 -2.026 1.00 0.00 N flip ATOM 0 H GLN A 59 9.950 12.852 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 59 12.108 13.415 -6.310 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.921 11.768 -3.791 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.032 11.280 -5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.506 12.894 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.266 14.133 -4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.210 15.038 -2.562 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.037 14.217 -1.008 1.00 0.00 H new ATOM 918 N LYS A 60 11.655 11.392 -7.707 1.00 0.00 N ATOM 919 CA LYS A 60 11.260 10.380 -8.647 1.00 0.00 C ATOM 920 C LYS A 60 11.627 9.032 -8.095 1.00 0.00 C ATOM 921 O LYS A 60 12.620 8.897 -7.378 1.00 0.00 O ATOM 922 CB LYS A 60 11.937 10.603 -10.004 1.00 0.00 C ATOM 923 CG LYS A 60 11.493 11.877 -10.699 1.00 0.00 C ATOM 924 CD LYS A 60 11.847 11.867 -12.176 1.00 0.00 C ATOM 925 CE LYS A 60 11.287 13.088 -12.886 1.00 0.00 C ATOM 926 NZ LYS A 60 11.427 12.995 -14.364 1.00 0.00 N ATOM 0 H LYS A 60 12.464 11.939 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 60 10.182 10.433 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.017 10.634 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.725 9.752 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.416 11.997 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.962 12.736 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.930 11.841 -12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.455 10.962 -12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.234 13.204 -12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.802 13.980 -12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.031 13.850 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.433 12.911 -14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.914 12.159 -14.709 1.00 0.00 H new ATOM 940 N LEU A 61 10.798 8.063 -8.401 1.00 0.00 N ATOM 941 CA LEU A 61 11.002 6.701 -7.948 1.00 0.00 C ATOM 942 C LEU A 61 12.432 6.222 -8.155 1.00 0.00 C ATOM 943 O LEU A 61 12.976 6.274 -9.264 1.00 0.00 O ATOM 944 CB LEU A 61 10.042 5.780 -8.666 1.00 0.00 C ATOM 945 CG LEU A 61 8.661 5.705 -8.040 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.818 4.668 -8.751 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.775 5.394 -6.560 1.00 0.00 C ATOM 0 H LEU A 61 9.962 8.193 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 61 10.812 6.683 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.942 6.113 -9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.470 4.778 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 61 8.169 6.672 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.830 4.625 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.718 4.939 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.298 3.693 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.779 5.343 -6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.280 4.437 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.349 6.178 -6.066 1.00 0.00 H new ATOM 959 N GLY A 62 13.029 5.776 -7.062 1.00 0.00 N ATOM 960 CA GLY A 62 14.388 5.276 -7.094 1.00 0.00 C ATOM 961 C GLY A 62 14.527 3.987 -7.886 1.00 0.00 C ATOM 962 O GLY A 62 13.539 3.427 -8.363 1.00 0.00 O ATOM 0 H GLY A 62 12.591 5.751 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.039 6.035 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.732 5.108 -6.073 1.00 0.00 H new ATOM 966 N GLU A 63 15.754 3.489 -7.982 1.00 0.00 N ATOM 967 CA GLU A 63 16.043 2.270 -8.744 1.00 0.00 C ATOM 968 C GLU A 63 15.698 1.025 -7.941 1.00 0.00 C ATOM 969 O GLU A 63 15.962 -0.097 -8.367 1.00 0.00 O ATOM 970 CB GLU A 63 17.522 2.229 -9.116 1.00 0.00 C ATOM 971 CG GLU A 63 18.129 3.606 -9.281 1.00 0.00 C ATOM 972 CD GLU A 63 19.548 3.683 -8.761 1.00 0.00 C ATOM 973 OE1 GLU A 63 20.495 3.522 -9.559 1.00 0.00 O ATOM 974 OE2 GLU A 63 19.721 3.910 -7.546 1.00 0.00 O ATOM 0 H GLU A 63 16.572 3.910 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 63 15.431 2.286 -9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 63 18.070 1.686 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.642 1.671 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 63 18.117 3.880 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.513 4.336 -8.755 1.00 0.00 H new ATOM 981 N ASP A 64 15.097 1.238 -6.788 1.00 0.00 N ATOM 982 CA ASP A 64 14.725 0.142 -5.904 1.00 0.00 C ATOM 983 C ASP A 64 13.231 0.147 -5.731 1.00 0.00 C ATOM 984 O ASP A 64 12.640 -0.760 -5.143 1.00 0.00 O ATOM 985 CB ASP A 64 15.396 0.305 -4.542 1.00 0.00 C ATOM 986 CG ASP A 64 15.206 -0.896 -3.634 1.00 0.00 C ATOM 987 OD1 ASP A 64 14.796 -0.704 -2.469 1.00 0.00 O ATOM 988 OD2 ASP A 64 15.469 -2.037 -4.069 1.00 0.00 O ATOM 0 H ASP A 64 14.853 2.164 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 64 15.051 -0.801 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.462 0.477 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.995 1.191 -4.050 1.00 0.00 H new ATOM 993 N GLU A 65 12.621 1.188 -6.255 1.00 0.00 N ATOM 994 CA GLU A 65 11.208 1.349 -6.155 1.00 0.00 C ATOM 995 C GLU A 65 10.558 1.086 -7.487 1.00 0.00 C ATOM 996 O GLU A 65 11.195 1.117 -8.543 1.00 0.00 O ATOM 997 CB GLU A 65 10.889 2.744 -5.656 1.00 0.00 C ATOM 998 CG GLU A 65 11.283 2.962 -4.204 1.00 0.00 C ATOM 999 CD GLU A 65 11.223 4.416 -3.797 1.00 0.00 C ATOM 1000 OE1 GLU A 65 10.522 4.735 -2.809 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.880 5.246 -4.461 1.00 0.00 O ATOM 0 H GLU A 65 13.098 1.937 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 65 10.810 0.627 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.405 3.474 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.821 2.928 -5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.622 2.381 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.294 2.586 -4.045 1.00 0.00 H new ATOM 1008 N SER A 66 9.287 0.838 -7.407 1.00 0.00 N ATOM 1009 CA SER A 66 8.470 0.524 -8.567 1.00 0.00 C ATOM 1010 C SER A 66 6.992 0.607 -8.219 1.00 0.00 C ATOM 1011 O SER A 66 6.534 0.011 -7.244 1.00 0.00 O ATOM 1012 CB SER A 66 8.796 -0.881 -9.093 1.00 0.00 C ATOM 1013 OG SER A 66 10.059 -0.908 -9.749 1.00 0.00 O ATOM 0 H SER A 66 8.769 0.845 -6.528 1.00 0.00 H new ATOM 0 HA SER A 66 8.694 1.255 -9.344 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.799 -1.590 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.018 -1.202 -9.785 1.00 0.00 H new ATOM 0 HG SER A 66 10.467 -0.018 -9.709 1.00 0.00 H new ATOM 1019 N ILE A 67 6.269 1.379 -8.999 1.00 0.00 N ATOM 1020 CA ILE A 67 4.836 1.533 -8.812 1.00 0.00 C ATOM 1021 C ILE A 67 4.096 0.938 -9.998 1.00 0.00 C ATOM 1022 O ILE A 67 4.520 1.129 -11.138 1.00 0.00 O ATOM 1023 CB ILE A 67 4.420 3.015 -8.697 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.950 3.610 -7.402 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.903 3.168 -8.777 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.352 4.952 -7.085 1.00 0.00 C ATOM 0 H ILE A 67 6.651 1.916 -9.777 1.00 0.00 H new ATOM 0 HA ILE A 67 4.581 1.019 -7.885 1.00 0.00 H new ATOM 0 HB ILE A 67 4.855 3.558 -9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.743 2.923 -6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.033 3.708 -7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.639 4.222 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.548 2.780 -9.732 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.438 2.612 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.770 5.325 -6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.581 5.652 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.271 4.854 -6.986 1.00 0.00 H new ATOM 1038 N PRO A 68 3.019 0.174 -9.761 1.00 0.00 N ATOM 1039 CA PRO A 68 2.210 -0.371 -10.844 1.00 0.00 C ATOM 1040 C PRO A 68 1.792 0.755 -11.784 1.00 0.00 C ATOM 1041 O PRO A 68 1.100 1.690 -11.373 1.00 0.00 O ATOM 1042 CB PRO A 68 1.000 -0.962 -10.120 1.00 0.00 C ATOM 1043 CG PRO A 68 1.506 -1.293 -8.761 1.00 0.00 C ATOM 1044 CD PRO A 68 2.529 -0.243 -8.434 1.00 0.00 C ATOM 0 HA PRO A 68 2.729 -1.109 -11.455 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.177 -0.249 -10.075 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.625 -1.849 -10.631 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.696 -1.290 -8.031 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.949 -2.289 -8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.090 0.591 -7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.333 -0.642 -7.815 1.00 0.00 H new ATOM 1052 N GLU A 69 2.228 0.679 -13.034 1.00 0.00 N ATOM 1053 CA GLU A 69 1.939 1.717 -14.028 1.00 0.00 C ATOM 1054 C GLU A 69 0.437 1.934 -14.230 1.00 0.00 C ATOM 1055 O GLU A 69 0.025 2.913 -14.854 1.00 0.00 O ATOM 1056 CB GLU A 69 2.617 1.388 -15.356 1.00 0.00 C ATOM 1057 CG GLU A 69 4.138 1.384 -15.274 1.00 0.00 C ATOM 1058 CD GLU A 69 4.748 2.757 -15.493 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.177 3.390 -14.504 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.811 3.202 -16.658 1.00 0.00 O ATOM 0 H GLU A 69 2.788 -0.095 -13.391 1.00 0.00 H new ATOM 0 HA GLU A 69 2.345 2.652 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.276 0.410 -15.697 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.303 2.114 -16.106 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.443 1.009 -14.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.535 0.693 -16.018 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.377 1.034 -13.701 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.822 1.156 -13.811 1.00 0.00 C ATOM 1069 C GLU A 70 -2.370 2.102 -12.738 1.00 0.00 C ATOM 1070 O GLU A 70 -3.510 2.551 -12.826 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.495 -0.221 -13.694 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.027 -1.040 -12.503 1.00 0.00 C ATOM 1073 CD GLU A 70 -0.960 -2.047 -12.876 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -1.227 -3.263 -12.794 1.00 0.00 O ATOM 1075 OE2 GLU A 70 0.150 -1.625 -13.257 1.00 0.00 O ATOM 0 H GLU A 70 -0.061 0.210 -13.190 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.050 1.573 -14.792 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.574 -0.082 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.305 -0.785 -14.607 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.638 -0.370 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.879 -1.562 -12.068 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.551 2.416 -11.730 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.979 3.304 -10.646 1.00 0.00 C ATOM 1084 C ILE A 71 -1.059 4.519 -10.540 1.00 0.00 C ATOM 1085 O ILE A 71 -1.379 5.501 -9.875 1.00 0.00 O ATOM 1086 CB ILE A 71 -2.010 2.570 -9.278 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.592 2.203 -8.823 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.882 1.323 -9.360 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.504 1.760 -7.377 1.00 0.00 C ATOM 0 H ILE A 71 -0.595 2.071 -11.642 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.990 3.632 -10.889 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.441 3.247 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.212 1.405 -9.461 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.060 3.065 -8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.892 0.822 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.899 1.607 -9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.480 0.647 -10.115 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.530 1.518 -7.133 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.852 2.564 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.127 0.878 -7.228 1.00 0.00 H new ATOM 1101 N ILE A 72 0.070 4.440 -11.231 1.00 0.00 N ATOM 1102 CA ILE A 72 1.087 5.496 -11.241 1.00 0.00 C ATOM 1103 C ILE A 72 0.525 6.846 -11.675 1.00 0.00 C ATOM 1104 O ILE A 72 1.037 7.893 -11.289 1.00 0.00 O ATOM 1105 CB ILE A 72 2.239 5.076 -12.170 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.520 5.872 -11.882 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.849 5.181 -13.640 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.696 7.107 -12.741 1.00 0.00 C ATOM 0 H ILE A 72 0.313 3.635 -11.808 1.00 0.00 H new ATOM 0 HA ILE A 72 1.450 5.621 -10.221 1.00 0.00 H new ATOM 0 HB ILE A 72 2.447 4.027 -11.959 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.520 6.171 -10.834 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.380 5.218 -12.027 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.690 4.876 -14.262 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.997 4.531 -13.838 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.581 6.212 -13.873 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.625 7.608 -12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.731 6.818 -13.791 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.858 7.785 -12.580 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.536 6.820 -12.458 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.146 8.047 -12.939 1.00 0.00 C ATOM 1122 C ASN A 73 -2.408 8.358 -12.153 1.00 0.00 C ATOM 1123 O ASN A 73 -3.214 9.195 -12.559 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.474 7.936 -14.428 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.233 6.671 -14.761 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -3.460 6.632 -14.710 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -1.500 5.624 -15.103 1.00 0.00 N ATOM 0 H ASN A 73 -0.994 5.965 -12.775 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.433 8.859 -12.796 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.064 8.801 -14.732 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.549 7.963 -15.004 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.952 4.740 -15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.483 5.701 -15.132 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.569 7.694 -11.015 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.761 7.920 -10.202 1.00 0.00 C ATOM 1136 C GLY A 74 -3.465 8.394 -8.794 1.00 0.00 C ATOM 1137 O GLY A 74 -4.317 8.259 -7.916 1.00 0.00 O ATOM 0 H GLY A 74 -1.910 7.012 -10.640 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.392 8.658 -10.698 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.334 6.994 -10.150 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.277 8.977 -8.590 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.850 9.458 -7.271 1.00 0.00 C ATOM 1143 C LYS A 75 -1.827 8.299 -6.285 1.00 0.00 C ATOM 1144 O LYS A 75 -2.864 7.814 -5.834 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.746 10.595 -6.769 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.242 11.242 -5.486 1.00 0.00 C ATOM 1147 CD LYS A 75 -2.474 12.747 -5.474 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.736 13.441 -6.607 1.00 0.00 C ATOM 1149 NZ LYS A 75 -1.977 14.906 -6.613 1.00 0.00 N ATOM 0 H LYS A 75 -1.590 9.128 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.843 9.864 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.823 11.357 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.751 10.208 -6.601 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.746 10.791 -4.631 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.177 11.039 -5.372 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.542 12.951 -5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.144 13.158 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.667 13.250 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.054 13.017 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.456 15.340 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.994 15.090 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.650 15.315 -5.714 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.635 7.871 -5.936 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.493 6.729 -5.051 1.00 0.00 C ATOM 1165 C CYS A 76 -0.084 7.151 -3.658 1.00 0.00 C ATOM 1166 O CYS A 76 0.243 8.311 -3.410 1.00 0.00 O ATOM 1167 CB CYS A 76 0.525 5.734 -5.611 1.00 0.00 C ATOM 1168 SG CYS A 76 0.372 5.439 -7.386 1.00 0.00 S ATOM 0 H CYS A 76 0.243 8.288 -6.245 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.468 6.246 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.529 6.101 -5.400 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.416 4.785 -5.086 1.00 0.00 H new ATOM 0 HG CYS A 76 0.929 6.416 -8.038 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.133 6.200 -2.755 1.00 0.00 N ATOM 1175 CA PHE A 77 0.232 6.424 -1.381 1.00 0.00 C ATOM 1176 C PHE A 77 0.947 5.209 -0.839 1.00 0.00 C ATOM 1177 O PHE A 77 0.368 4.128 -0.737 1.00 0.00 O ATOM 1178 CB PHE A 77 -1.011 6.734 -0.544 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.690 8.007 -0.953 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.122 9.231 -0.649 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.881 7.981 -1.655 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.727 10.407 -1.040 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.495 9.155 -2.045 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.917 10.369 -1.739 1.00 0.00 C ATOM 0 H PHE A 77 -0.429 5.245 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 77 0.903 7.281 -1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.717 5.908 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.728 6.801 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.193 9.266 -0.099 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.336 7.033 -1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.271 11.356 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.427 9.122 -2.589 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.394 11.288 -2.045 1.00 0.00 H new ATOM 1194 N PHE A 78 2.213 5.375 -0.521 1.00 0.00 N ATOM 1195 CA PHE A 78 2.987 4.285 0.030 1.00 0.00 C ATOM 1196 C PHE A 78 2.707 4.237 1.511 1.00 0.00 C ATOM 1197 O PHE A 78 3.264 5.013 2.291 1.00 0.00 O ATOM 1198 CB PHE A 78 4.482 4.455 -0.229 1.00 0.00 C ATOM 1199 CG PHE A 78 5.298 3.252 0.158 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.343 2.141 -0.667 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.022 3.231 1.342 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.097 1.035 -0.325 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.777 2.125 1.690 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.812 1.025 0.854 1.00 0.00 C ATOM 0 H PHE A 78 2.725 6.250 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 78 2.698 3.352 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.638 4.665 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.842 5.322 0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.782 2.139 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.996 4.088 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.126 0.178 -0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.338 2.121 2.613 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.398 0.159 1.124 1.00 0.00 H new ATOM 1214 N ILE A 79 1.812 3.356 1.881 1.00 0.00 N ATOM 1215 CA ILE A 79 1.412 3.212 3.257 1.00 0.00 C ATOM 1216 C ILE A 79 1.989 1.978 3.865 1.00 0.00 C ATOM 1217 O ILE A 79 2.439 1.050 3.187 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.113 3.120 3.414 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.570 1.697 3.077 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.810 4.157 2.543 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.995 1.607 2.615 1.00 0.00 C ATOM 0 H ILE A 79 1.341 2.720 1.238 1.00 0.00 H new ATOM 0 HA ILE A 79 1.784 4.104 3.762 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.387 3.337 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.079 1.292 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.444 1.068 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.889 4.073 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.486 5.156 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.554 3.985 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.242 0.568 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.656 1.980 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.124 2.208 1.715 1.00 0.00 H new ATOM 1233 N HIS A 80 1.946 1.999 5.153 1.00 0.00 N ATOM 1234 CA HIS A 80 2.378 0.920 5.956 1.00 0.00 C ATOM 1235 C HIS A 80 1.160 0.507 6.754 1.00 0.00 C ATOM 1236 O HIS A 80 0.684 1.274 7.598 1.00 0.00 O ATOM 1237 CB HIS A 80 3.544 1.404 6.816 1.00 0.00 C ATOM 1238 CG HIS A 80 3.785 0.602 8.049 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.763 -0.355 8.160 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.167 0.648 9.235 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.726 -0.878 9.370 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.762 -0.283 10.050 1.00 0.00 N ATOM 0 H HIS A 80 1.598 2.795 5.688 1.00 0.00 H new ATOM 0 HA HIS A 80 2.748 0.059 5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.451 1.397 6.211 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.361 2.439 7.103 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.416 -0.620 7.422 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.348 1.300 9.503 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.373 -1.659 9.742 1.00 0.00 H new ATOM 1251 N TYR A 81 0.599 -0.646 6.411 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.597 -1.144 7.074 1.00 0.00 C ATOM 1253 C TYR A 81 -0.412 -1.147 8.584 1.00 0.00 C ATOM 1254 O TYR A 81 0.351 -1.947 9.130 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.949 -2.540 6.561 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.525 -2.530 5.165 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.818 -2.089 4.935 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.773 -2.951 4.079 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.348 -2.070 3.660 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.294 -2.937 2.800 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.582 -2.493 2.595 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.108 -2.474 1.324 1.00 0.00 O ATOM 0 H TYR A 81 0.956 -1.255 5.674 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.427 -0.477 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.054 -3.162 6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.666 -3.000 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.421 -1.755 5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.238 -3.296 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.359 -1.725 3.498 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.695 -3.272 1.966 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.440 -3.367 1.094 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.104 -0.222 9.241 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.019 -0.064 10.685 1.00 0.00 C ATOM 1274 C GLN A 82 -1.460 -1.332 11.410 1.00 0.00 C ATOM 1275 O GLN A 82 -2.649 -1.635 11.504 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.856 1.138 11.127 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.610 1.557 12.566 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.195 2.921 12.877 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.515 3.939 12.755 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.457 2.956 13.280 1.00 0.00 N ATOM 0 H GLN A 82 -1.737 0.437 8.787 1.00 0.00 H new ATOM 0 HA GLN A 82 0.023 0.115 10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.640 1.981 10.470 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.912 0.899 11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.045 0.816 13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.537 1.572 12.759 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.988 2.090 13.369 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.897 3.849 13.501 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.482 -2.059 11.928 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.758 -3.294 12.632 1.00 0.00 C ATOM 1291 C GLY A 83 0.199 -4.389 12.223 1.00 0.00 C ATOM 1292 O GLY A 83 0.522 -5.278 13.011 1.00 0.00 O ATOM 0 H GLY A 83 0.506 -1.813 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.683 -3.126 13.706 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.782 -3.609 12.429 1.00 0.00 H new ATOM 1296 N TRP A 84 0.658 -4.315 10.986 1.00 0.00 N ATOM 1297 CA TRP A 84 1.590 -5.291 10.454 1.00 0.00 C ATOM 1298 C TRP A 84 2.964 -4.660 10.312 1.00 0.00 C ATOM 1299 O TRP A 84 3.146 -3.480 10.619 1.00 0.00 O ATOM 1300 CB TRP A 84 1.109 -5.805 9.095 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.354 -6.116 9.054 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.307 -5.449 8.346 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.032 -7.167 9.751 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.542 -6.015 8.560 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.400 -7.074 9.422 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.614 -8.177 10.624 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.351 -7.956 9.938 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -1.561 -9.049 11.132 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -2.913 -8.932 10.788 1.00 0.00 C ATOM 0 H TRP A 84 0.397 -3.582 10.327 1.00 0.00 H new ATOM 0 HA TRP A 84 1.648 -6.134 11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 84 1.334 -5.058 8.333 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.670 -6.703 8.837 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.120 -4.598 7.708 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.419 -5.700 8.146 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.427 -8.274 10.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.395 -7.870 9.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.251 -9.834 11.806 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.626 -9.629 11.204 1.00 0.00 H new ATOM 1320 N LYS A 85 3.928 -5.436 9.844 1.00 0.00 N ATOM 1321 CA LYS A 85 5.275 -4.927 9.668 1.00 0.00 C ATOM 1322 C LYS A 85 5.444 -4.359 8.265 1.00 0.00 C ATOM 1323 O LYS A 85 4.519 -4.416 7.454 1.00 0.00 O ATOM 1324 CB LYS A 85 6.322 -6.009 9.958 1.00 0.00 C ATOM 1325 CG LYS A 85 6.180 -7.275 9.130 1.00 0.00 C ATOM 1326 CD LYS A 85 7.179 -8.326 9.588 1.00 0.00 C ATOM 1327 CE LYS A 85 7.121 -9.583 8.740 1.00 0.00 C ATOM 1328 NZ LYS A 85 7.993 -10.653 9.292 1.00 0.00 N ATOM 0 H LYS A 85 3.803 -6.414 9.581 1.00 0.00 H new ATOM 0 HA LYS A 85 5.434 -4.123 10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.313 -5.590 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.266 -6.275 11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.166 -7.664 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.340 -7.047 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.185 -7.909 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.981 -8.583 10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.093 -9.941 8.688 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.430 -9.350 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.930 -11.498 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.978 -10.319 9.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.682 -10.892 10.255 1.00 0.00 H new ATOM 1342 N SER A 86 6.633 -3.841 7.979 1.00 0.00 N ATOM 1343 CA SER A 86 6.935 -3.223 6.691 1.00 0.00 C ATOM 1344 C SER A 86 6.800 -4.189 5.509 1.00 0.00 C ATOM 1345 O SER A 86 6.856 -3.776 4.354 1.00 0.00 O ATOM 1346 CB SER A 86 8.352 -2.655 6.736 1.00 0.00 C ATOM 1347 OG SER A 86 8.896 -2.765 8.045 1.00 0.00 O ATOM 0 H SER A 86 7.416 -3.837 8.633 1.00 0.00 H new ATOM 0 HA SER A 86 6.202 -2.433 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.986 -3.188 6.027 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.340 -1.609 6.428 1.00 0.00 H new ATOM 0 HG SER A 86 9.233 -3.675 8.184 1.00 0.00 H new ATOM 1353 N SER A 87 6.610 -5.470 5.792 1.00 0.00 N ATOM 1354 CA SER A 87 6.474 -6.468 4.736 1.00 0.00 C ATOM 1355 C SER A 87 5.125 -6.353 4.021 1.00 0.00 C ATOM 1356 O SER A 87 4.901 -6.995 2.994 1.00 0.00 O ATOM 1357 CB SER A 87 6.635 -7.868 5.320 1.00 0.00 C ATOM 1358 OG SER A 87 7.827 -7.958 6.082 1.00 0.00 O ATOM 0 H SER A 87 6.546 -5.843 6.739 1.00 0.00 H new ATOM 0 HA SER A 87 7.258 -6.286 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.777 -8.106 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.655 -8.603 4.515 1.00 0.00 H new ATOM 0 HG SER A 87 8.271 -8.812 5.896 1.00 0.00 H new ATOM 1364 N TRP A 88 4.231 -5.545 4.570 1.00 0.00 N ATOM 1365 CA TRP A 88 2.912 -5.353 3.985 1.00 0.00 C ATOM 1366 C TRP A 88 2.817 -3.990 3.324 1.00 0.00 C ATOM 1367 O TRP A 88 1.857 -3.703 2.613 1.00 0.00 O ATOM 1368 CB TRP A 88 1.831 -5.472 5.062 1.00 0.00 C ATOM 1369 CG TRP A 88 1.514 -6.881 5.436 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.251 -7.698 6.233 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.366 -7.634 5.033 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.638 -8.919 6.354 1.00 0.00 N ATOM 1373 CE2 TRP A 88 0.477 -8.907 5.623 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.744 -7.354 4.231 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -0.482 -9.900 5.433 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.695 -8.340 4.043 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.557 -9.598 4.641 1.00 0.00 C ATOM 0 H TRP A 88 4.395 -5.010 5.423 1.00 0.00 H new ATOM 0 HA TRP A 88 2.758 -6.126 3.232 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.156 -4.933 5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 88 0.922 -4.985 4.708 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.184 -7.426 6.703 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.988 -9.707 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.857 -6.385 3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -0.381 -10.872 5.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.557 -8.136 3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -2.316 -10.348 4.474 1.00 0.00 H new ATOM 1388 N ASP A 89 3.826 -3.168 3.557 1.00 0.00 N ATOM 1389 CA ASP A 89 3.864 -1.813 3.023 1.00 0.00 C ATOM 1390 C ASP A 89 3.868 -1.827 1.502 1.00 0.00 C ATOM 1391 O ASP A 89 4.693 -2.495 0.877 1.00 0.00 O ATOM 1392 CB ASP A 89 5.095 -1.065 3.550 1.00 0.00 C ATOM 1393 CG ASP A 89 5.124 -0.981 5.067 1.00 0.00 C ATOM 1394 OD1 ASP A 89 4.214 -1.540 5.719 1.00 0.00 O ATOM 1395 OD2 ASP A 89 6.056 -0.362 5.625 1.00 0.00 O ATOM 0 H ASP A 89 4.640 -3.418 4.119 1.00 0.00 H new ATOM 0 HA ASP A 89 2.966 -1.293 3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.997 -1.567 3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.109 -0.058 3.134 1.00 0.00 H new ATOM 1400 N GLU A 90 2.940 -1.091 0.908 1.00 0.00 N ATOM 1401 CA GLU A 90 2.841 -1.030 -0.540 1.00 0.00 C ATOM 1402 C GLU A 90 2.189 0.268 -0.997 1.00 0.00 C ATOM 1403 O GLU A 90 1.834 1.125 -0.185 1.00 0.00 O ATOM 1404 CB GLU A 90 2.074 -2.238 -1.095 1.00 0.00 C ATOM 1405 CG GLU A 90 0.632 -2.350 -0.617 1.00 0.00 C ATOM 1406 CD GLU A 90 -0.142 -3.412 -1.375 1.00 0.00 C ATOM 1407 OE1 GLU A 90 0.329 -4.570 -1.435 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -1.215 -3.095 -1.934 1.00 0.00 O ATOM 0 H GLU A 90 2.248 -0.530 1.405 1.00 0.00 H new ATOM 0 HA GLU A 90 3.856 -1.058 -0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.079 -2.185 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.606 -3.148 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.621 -2.585 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.136 -1.387 -0.736 1.00 0.00 H new ATOM 1415 N TRP A 91 2.043 0.405 -2.307 1.00 0.00 N ATOM 1416 CA TRP A 91 1.448 1.595 -2.897 1.00 0.00 C ATOM 1417 C TRP A 91 -0.044 1.431 -3.127 1.00 0.00 C ATOM 1418 O TRP A 91 -0.467 0.595 -3.928 1.00 0.00 O ATOM 1419 CB TRP A 91 2.078 1.901 -4.248 1.00 0.00 C ATOM 1420 CG TRP A 91 3.478 2.406 -4.190 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.607 1.678 -4.408 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.904 3.748 -3.922 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.709 2.484 -4.311 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.306 3.757 -4.007 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.243 4.943 -3.620 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.056 4.911 -3.816 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.996 6.089 -3.423 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.389 6.063 -3.525 1.00 0.00 C ATOM 0 H TRP A 91 2.331 -0.300 -2.986 1.00 0.00 H new ATOM 0 HA TRP A 91 1.626 2.404 -2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.059 0.995 -4.854 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.462 2.640 -4.760 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.630 0.620 -4.625 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.675 2.185 -4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.166 4.972 -3.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.133 4.895 -3.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.498 7.018 -3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.948 6.974 -3.370 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.837 2.226 -2.436 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.272 2.203 -2.630 1.00 0.00 C ATOM 1441 C VAL A 92 -2.662 3.471 -3.366 1.00 0.00 C ATOM 1442 O VAL A 92 -2.194 4.554 -3.035 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.061 2.083 -1.312 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.863 0.706 -0.705 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.657 3.170 -0.330 1.00 0.00 C ATOM 0 H VAL A 92 -0.512 2.894 -1.737 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.526 1.315 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.120 2.216 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.426 0.634 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.217 -0.053 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.804 0.547 -0.502 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.230 3.060 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.593 3.083 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.857 4.148 -0.767 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.490 3.345 -4.377 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.872 4.513 -5.137 1.00 0.00 C ATOM 1457 C GLY A 93 -5.249 4.985 -4.771 1.00 0.00 C ATOM 1458 O GLY A 93 -5.944 4.314 -4.020 1.00 0.00 O ATOM 0 H GLY A 93 -3.904 2.466 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.154 5.314 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.837 4.282 -6.202 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.654 6.122 -5.318 1.00 0.00 N ATOM 1463 CA TYR A 94 -6.984 6.687 -5.067 1.00 0.00 C ATOM 1464 C TYR A 94 -8.079 5.713 -5.470 1.00 0.00 C ATOM 1465 O TYR A 94 -9.247 5.866 -5.116 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.151 7.973 -5.857 1.00 0.00 C ATOM 1467 CG TYR A 94 -7.006 9.200 -5.018 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.819 9.908 -4.991 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -8.060 9.644 -4.246 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.682 11.031 -4.211 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -7.942 10.763 -3.462 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.749 11.462 -3.444 1.00 0.00 C ATOM 1473 OH TYR A 94 -6.625 12.588 -2.662 1.00 0.00 O ATOM 0 H TYR A 94 -5.077 6.681 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.069 6.887 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.412 7.999 -6.658 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.133 7.977 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.987 9.573 -5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.994 9.101 -4.259 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.748 11.573 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.776 11.096 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.467 12.752 -2.189 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.674 4.701 -6.196 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.589 3.680 -6.683 1.00 0.00 C ATOM 1485 C ASP A 95 -8.744 2.574 -5.654 1.00 0.00 C ATOM 1486 O ASP A 95 -9.727 1.842 -5.654 1.00 0.00 O ATOM 1487 CB ASP A 95 -8.088 3.092 -8.001 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.190 2.382 -8.762 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -8.979 1.237 -9.203 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -10.274 2.981 -8.930 1.00 0.00 O ATOM 0 H ASP A 95 -6.702 4.555 -6.470 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.559 4.147 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.676 3.889 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.277 2.392 -7.800 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.775 2.478 -4.757 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.797 1.462 -3.721 1.00 0.00 C ATOM 1497 C ARG A 96 -7.624 2.115 -2.370 1.00 0.00 C ATOM 1498 O ARG A 96 -7.300 1.456 -1.390 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.693 0.421 -3.937 1.00 0.00 C ATOM 1500 CG ARG A 96 -7.095 -0.717 -4.853 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.387 -2.014 -4.480 1.00 0.00 C ATOM 1502 NE ARG A 96 -4.930 -1.894 -4.573 1.00 0.00 N ATOM 1503 CZ ARG A 96 -4.084 -2.187 -3.583 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -4.534 -2.568 -2.393 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -2.777 -2.076 -3.785 1.00 0.00 N ATOM 0 H ARG A 96 -6.962 3.094 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.758 0.950 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.816 0.917 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.400 0.011 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -8.174 -0.863 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.858 -0.456 -5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.663 -2.298 -3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.727 -2.814 -5.138 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.535 -1.564 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.538 -2.640 -2.226 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.876 -2.789 -1.646 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.425 -1.769 -4.692 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.124 -2.298 -3.033 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.832 3.415 -2.325 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.693 4.145 -1.089 1.00 0.00 C ATOM 1521 C ILE A 97 -8.906 5.033 -0.848 1.00 0.00 C ATOM 1522 O ILE A 97 -9.493 5.589 -1.783 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.386 4.976 -1.061 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.795 4.974 0.339 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.622 6.396 -1.523 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.683 5.981 0.544 1.00 0.00 C ATOM 0 H ILE A 97 -8.097 3.983 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.634 3.416 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.681 4.513 -1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.590 5.176 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.412 3.977 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.684 6.950 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -7.003 6.388 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.349 6.876 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.316 5.915 1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.868 5.769 -0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.063 6.986 0.359 1.00 0.00 H new ATOM 1538 N ARG A 98 -9.286 5.127 0.410 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.417 5.928 0.843 1.00 0.00 C ATOM 1540 C ARG A 98 -9.981 6.717 2.076 1.00 0.00 C ATOM 1541 O ARG A 98 -8.824 6.626 2.476 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.628 5.036 1.175 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.947 3.974 0.125 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.341 4.603 -1.204 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.704 3.605 -2.211 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.151 3.538 -3.422 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.188 4.387 -3.757 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -12.551 2.618 -4.292 1.00 0.00 N ATOM 0 H ARG A 98 -8.812 4.643 1.173 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.723 6.604 0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.446 4.541 2.129 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.504 5.671 1.307 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.079 3.331 -0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.758 3.339 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.182 5.279 -1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.513 5.206 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.422 2.921 -1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.872 5.089 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.764 4.337 -4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.285 1.958 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.124 2.571 -5.217 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.886 7.454 2.706 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.525 8.224 3.867 1.00 0.00 C ATOM 1564 C ALA A 99 -10.870 7.442 5.090 1.00 0.00 C ATOM 1565 O ALA A 99 -11.783 6.610 5.093 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.244 9.565 3.926 1.00 0.00 C ATOM 0 H ALA A 99 -11.865 7.529 2.428 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.455 8.424 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.935 10.104 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.992 10.152 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.321 9.399 3.956 1.00 0.00 H new ATOM 1572 N TYR A 100 -10.135 7.702 6.118 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.355 7.062 7.368 1.00 0.00 C ATOM 1574 C TYR A 100 -11.258 7.974 8.180 1.00 0.00 C ATOM 1575 O TYR A 100 -10.810 8.936 8.797 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.992 6.841 7.992 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.968 6.301 9.404 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.981 7.144 10.508 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.896 4.934 9.626 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.942 6.636 11.793 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.858 4.417 10.905 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.876 5.271 11.986 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.834 4.759 13.264 1.00 0.00 O ATOM 0 H TYR A 100 -9.362 8.367 6.114 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.848 6.092 7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.435 6.153 7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.456 7.790 7.982 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.022 8.213 10.360 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.869 4.261 8.782 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.963 7.304 12.642 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.814 3.349 11.058 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.790 3.781 13.223 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.546 7.689 8.118 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.543 8.468 8.826 1.00 0.00 C ATOM 1595 C ASN A 101 -14.652 7.554 9.303 1.00 0.00 C ATOM 1596 O ASN A 101 -14.863 6.478 8.745 1.00 0.00 O ATOM 1597 CB ASN A 101 -14.105 9.600 7.946 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.596 9.129 6.588 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.405 8.206 6.486 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.113 9.767 5.534 1.00 0.00 N ATOM 0 H ASN A 101 -12.929 6.913 7.577 1.00 0.00 H new ATOM 0 HA ASN A 101 -13.069 8.938 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.928 10.084 8.473 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.332 10.354 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.410 9.499 4.596 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.444 10.527 5.660 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.379 8.015 10.294 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.450 7.236 10.915 1.00 0.00 C ATOM 1609 C GLU A 102 -17.544 6.814 9.935 1.00 0.00 C ATOM 1610 O GLU A 102 -18.348 5.937 10.245 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.060 8.011 12.081 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.082 8.244 13.223 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.509 6.948 13.766 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.151 6.329 14.634 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -14.408 6.545 13.329 1.00 0.00 O ATOM 0 H GLU A 102 -15.252 8.942 10.701 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.989 6.317 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.422 8.973 11.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.925 7.466 12.458 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.268 8.881 12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -16.587 8.780 14.027 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.584 7.427 8.761 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.586 7.069 7.765 1.00 0.00 C ATOM 1624 C GLU A 103 -18.178 5.813 6.999 1.00 0.00 C ATOM 1625 O GLU A 103 -18.975 4.887 6.830 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.802 8.205 6.761 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.808 7.854 5.670 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.622 8.662 4.401 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -20.189 9.771 4.309 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -18.913 8.188 3.485 1.00 0.00 O ATOM 0 H GLU A 103 -16.942 8.167 8.476 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.514 6.881 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.146 9.092 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.848 8.460 6.299 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.722 6.794 5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.817 8.015 6.050 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.924 5.777 6.567 1.00 0.00 N ATOM 1638 CA ASN A 104 -16.414 4.666 5.776 1.00 0.00 C ATOM 1639 C ASN A 104 -15.885 3.550 6.665 1.00 0.00 C ATOM 1640 O ASN A 104 -16.004 2.367 6.340 1.00 0.00 O ATOM 1641 CB ASN A 104 -15.318 5.176 4.847 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.926 4.168 3.799 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -15.739 3.360 3.352 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -13.673 4.214 3.392 1.00 0.00 N ATOM 0 H ASN A 104 -16.238 6.509 6.753 1.00 0.00 H new ATOM 0 HA ASN A 104 -17.231 4.251 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -15.658 6.089 4.358 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -14.441 5.439 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -13.344 3.563 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.032 4.901 3.790 1.00 0.00 H new ATOM 1651 N ILE A 105 -15.319 3.923 7.802 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.790 2.952 8.741 1.00 0.00 C ATOM 1653 C ILE A 105 -15.925 2.106 9.281 1.00 0.00 C ATOM 1654 O ILE A 105 -15.759 0.918 9.568 1.00 0.00 O ATOM 1655 CB ILE A 105 -14.095 3.625 9.914 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.916 4.455 9.429 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.629 2.595 10.923 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.237 5.204 10.539 1.00 0.00 C ATOM 0 H ILE A 105 -15.215 4.894 8.096 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.063 2.339 8.209 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.812 4.286 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.193 3.801 8.942 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.261 5.164 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.134 3.098 11.754 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.488 2.036 11.296 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.929 1.909 10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.404 5.778 10.134 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.950 5.881 11.010 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.864 4.497 11.280 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.088 2.743 9.401 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.286 2.086 9.884 1.00 0.00 C ATOM 1672 C ALA A 106 -18.558 0.837 9.067 1.00 0.00 C ATOM 1673 O ALA A 106 -19.088 -0.155 9.573 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.468 3.036 9.814 1.00 0.00 C ATOM 0 H ALA A 106 -17.219 3.727 9.165 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.137 1.796 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.362 2.531 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.268 3.912 10.431 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.624 3.348 8.781 1.00 0.00 H new ATOM 1680 N MET A 107 -18.168 0.887 7.797 1.00 0.00 N ATOM 1681 CA MET A 107 -18.353 -0.248 6.925 1.00 0.00 C ATOM 1682 C MET A 107 -17.229 -1.240 7.143 1.00 0.00 C ATOM 1683 O MET A 107 -17.491 -2.405 7.282 1.00 0.00 O ATOM 1684 CB MET A 107 -18.396 0.151 5.450 1.00 0.00 C ATOM 1685 CG MET A 107 -19.290 -0.749 4.617 1.00 0.00 C ATOM 1686 SD MET A 107 -19.766 -0.002 3.046 1.00 0.00 S ATOM 1687 CE MET A 107 -18.165 0.448 2.382 1.00 0.00 C ATOM 0 H MET A 107 -17.727 1.696 7.360 1.00 0.00 H new ATOM 0 HA MET A 107 -19.315 -0.697 7.173 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.748 1.179 5.368 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.385 0.126 5.043 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.773 -1.689 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 107 -20.188 -0.989 5.187 1.00 0.00 H new ATOM 0 HE1 MET A 107 -18.168 0.310 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 107 -17.955 1.492 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 107 -17.396 -0.184 2.826 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.983 -0.757 7.205 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.804 -1.608 7.388 1.00 0.00 C ATOM 1699 C LYS A 108 -14.951 -2.542 8.585 1.00 0.00 C ATOM 1700 O LYS A 108 -14.584 -3.715 8.521 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.571 -0.735 7.567 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.285 -1.521 7.724 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.096 -0.593 7.858 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.465 -0.676 9.231 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.926 -2.029 9.514 1.00 0.00 N ATOM 0 H LYS A 108 -15.764 0.236 7.129 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.701 -2.229 6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.478 -0.072 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.709 -0.102 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.351 -2.162 8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -12.146 -2.174 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.353 -0.844 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.413 0.432 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.662 0.057 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.206 -0.415 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -10.411 -2.430 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.082 -2.644 8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.907 -1.963 9.709 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.460 -2.007 9.676 1.00 0.00 N ATOM 1720 CA LYS A 109 -15.683 -2.802 10.887 1.00 0.00 C ATOM 1721 C LYS A 109 -16.675 -3.912 10.590 1.00 0.00 C ATOM 1722 O LYS A 109 -16.429 -5.082 10.888 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.208 -1.929 12.029 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.420 -0.649 12.255 1.00 0.00 C ATOM 1725 CD LYS A 109 -13.982 -0.925 12.661 1.00 0.00 C ATOM 1726 CE LYS A 109 -13.402 0.239 13.445 1.00 0.00 C ATOM 1727 NZ LYS A 109 -12.034 -0.057 13.949 1.00 0.00 N ATOM 0 H LYS A 109 -15.730 -1.027 9.758 1.00 0.00 H new ATOM 0 HA LYS A 109 -14.731 -3.232 11.198 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.247 -1.670 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.201 -2.513 12.949 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.430 -0.052 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.907 -0.056 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.939 -1.831 13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.378 -1.105 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.371 1.124 12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.056 0.472 14.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.674 0.763 14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -12.067 -0.887 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.403 -0.254 13.146 1.00 0.00 H new ATOM 1741 N ARG A 110 -17.792 -3.531 9.988 1.00 0.00 N ATOM 1742 CA ARG A 110 -18.824 -4.479 9.607 1.00 0.00 C ATOM 1743 C ARG A 110 -18.285 -5.395 8.517 1.00 0.00 C ATOM 1744 O ARG A 110 -18.630 -6.558 8.434 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.046 -3.722 9.091 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.315 -4.548 9.061 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.426 -3.806 8.344 1.00 0.00 C ATOM 1748 NE ARG A 110 -22.360 -3.986 6.898 1.00 0.00 N ATOM 1749 CZ ARG A 110 -22.513 -3.005 6.014 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -22.664 -1.748 6.422 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -22.495 -3.276 4.715 1.00 0.00 N ATOM 0 H ARG A 110 -18.006 -2.562 9.752 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.113 -5.076 10.472 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.210 -2.846 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.837 -3.359 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.124 -5.497 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.626 -4.781 10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.391 -4.157 8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.363 -2.744 8.580 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.185 -4.926 6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.663 -1.532 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.781 -1.000 5.738 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -22.364 -4.236 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -22.612 -2.524 4.036 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.414 -4.831 7.706 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.775 -5.504 6.592 1.00 0.00 C ATOM 1767 C LEU A 111 -15.887 -6.640 7.039 1.00 0.00 C ATOM 1768 O LEU A 111 -15.909 -7.708 6.449 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.994 -4.469 5.783 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.795 -3.870 4.650 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.179 -2.569 4.176 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.947 -4.817 3.490 1.00 0.00 C ATOM 0 H LEU A 111 -17.121 -3.859 7.807 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.544 -5.958 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.665 -3.671 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.097 -4.936 5.377 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.790 -3.671 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.775 -2.160 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.154 -1.856 5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.164 -2.754 3.826 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.530 -4.338 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.962 -5.079 3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.459 -5.720 3.822 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.120 -6.437 8.088 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.259 -7.497 8.568 1.00 0.00 C ATOM 1786 C ALA A 112 -15.092 -8.552 9.266 1.00 0.00 C ATOM 1787 O ALA A 112 -14.622 -9.645 9.559 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.182 -6.946 9.480 1.00 0.00 C ATOM 0 H ALA A 112 -15.074 -5.566 8.617 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.756 -7.960 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.548 -7.761 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.577 -6.223 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -13.646 -6.456 10.336 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.336 -8.195 9.535 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.276 -9.091 10.170 1.00 0.00 C ATOM 1796 C ASN A 113 -18.196 -9.731 9.123 1.00 0.00 C ATOM 1797 O ASN A 113 -18.745 -10.803 9.346 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.082 -8.324 11.220 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.386 -8.294 12.565 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -17.549 -9.200 13.384 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -16.611 -7.247 12.808 1.00 0.00 N ATOM 0 H ASN A 113 -16.719 -7.275 9.318 1.00 0.00 H new ATOM 0 HA ASN A 113 -16.732 -9.894 10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.247 -7.303 10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.063 -8.785 11.331 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.123 -7.170 13.700 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.503 -6.518 12.103 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.360 -9.057 7.986 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.206 -9.544 6.899 1.00 0.00 C ATOM 1810 C GLU A 114 -18.400 -10.256 5.822 1.00 0.00 C ATOM 1811 O GLU A 114 -18.849 -11.263 5.283 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.004 -8.401 6.280 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.307 -8.117 7.007 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.170 -7.111 6.277 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -21.609 -6.189 5.649 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -23.409 -7.225 6.335 1.00 0.00 O ATOM 0 H GLU A 114 -17.912 -8.161 7.793 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.895 -10.268 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.392 -7.499 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.221 -8.640 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -21.862 -9.047 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.087 -7.744 8.008 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.201 -9.761 5.507 1.00 0.00 N ATOM 1824 CA ALA A 115 -16.385 -10.408 4.478 1.00 0.00 C ATOM 1825 C ALA A 115 -15.831 -11.707 5.030 1.00 0.00 C ATOM 1826 O ALA A 115 -15.302 -12.557 4.310 1.00 0.00 O ATOM 1827 CB ALA A 115 -15.258 -9.500 4.019 1.00 0.00 C ATOM 0 H ALA A 115 -16.782 -8.936 5.937 1.00 0.00 H new ATOM 0 HA ALA A 115 -17.010 -10.616 3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.670 -10.008 3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.676 -8.582 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.618 -9.257 4.867 1.00 0.00 H new ATOM 1833 N LYS A 116 -15.991 -11.839 6.332 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.546 -12.992 7.069 1.00 0.00 C ATOM 1835 C LYS A 116 -16.657 -14.041 7.129 1.00 0.00 C ATOM 1836 O LYS A 116 -16.443 -15.172 7.564 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.141 -12.534 8.470 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.269 -12.552 9.495 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.997 -13.520 10.634 1.00 0.00 C ATOM 1840 CE LYS A 116 -17.015 -14.651 10.645 1.00 0.00 C ATOM 1841 NZ LYS A 116 -16.521 -15.857 11.363 1.00 0.00 N ATOM 0 H LYS A 116 -16.443 -11.132 6.912 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.690 -13.453 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.333 -13.173 8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -14.742 -11.522 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.406 -11.549 9.899 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.201 -12.828 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -14.993 -13.931 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.030 -12.987 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.934 -14.303 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.265 -14.920 9.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -17.251 -16.597 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.659 -16.208 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.307 -15.610 12.350 1.00 0.00 H new ATOM 1855 N GLU A 117 -17.842 -13.661 6.652 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.008 -14.541 6.660 1.00 0.00 C ATOM 1857 C GLU A 117 -18.961 -15.542 5.509 1.00 0.00 C ATOM 1858 O GLU A 117 -19.989 -16.072 5.092 1.00 0.00 O ATOM 1859 CB GLU A 117 -20.286 -13.704 6.569 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.456 -12.732 7.722 1.00 0.00 C ATOM 1861 CD GLU A 117 -20.943 -13.412 8.982 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -22.161 -13.365 9.253 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -20.115 -14.004 9.705 1.00 0.00 O ATOM 0 H GLU A 117 -18.019 -12.740 6.252 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.001 -15.103 7.594 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -20.280 -13.147 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.147 -14.372 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -19.504 -12.240 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.163 -11.953 7.436 1.00 0.00 H new ATOM 1870 N ALA A 118 -17.767 -15.796 5.001 1.00 0.00 N ATOM 1871 CA ALA A 118 -17.589 -16.737 3.909 1.00 0.00 C ATOM 1872 C ALA A 118 -16.981 -18.040 4.417 1.00 0.00 C ATOM 1873 O ALA A 118 -16.846 -19.011 3.673 1.00 0.00 O ATOM 1874 CB ALA A 118 -16.719 -16.128 2.821 1.00 0.00 C ATOM 0 H ALA A 118 -16.904 -15.362 5.329 1.00 0.00 H new ATOM 0 HA ALA A 118 -18.567 -16.961 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -16.595 -16.846 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -17.195 -15.225 2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.743 -15.876 3.235 1.00 0.00 H new ATOM 1880 N LYS A 119 -16.632 -18.060 5.699 1.00 0.00 N ATOM 1881 CA LYS A 119 -16.032 -19.242 6.300 1.00 0.00 C ATOM 1882 C LYS A 119 -17.053 -20.002 7.134 1.00 0.00 C ATOM 1883 O LYS A 119 -17.927 -19.396 7.765 1.00 0.00 O ATOM 1884 CB LYS A 119 -14.824 -18.857 7.153 1.00 0.00 C ATOM 1885 CG LYS A 119 -13.505 -18.963 6.409 1.00 0.00 C ATOM 1886 CD LYS A 119 -12.358 -18.364 7.206 1.00 0.00 C ATOM 1887 CE LYS A 119 -11.018 -18.594 6.521 1.00 0.00 C ATOM 1888 NZ LYS A 119 -10.460 -19.948 6.807 1.00 0.00 N ATOM 0 H LYS A 119 -16.754 -17.274 6.338 1.00 0.00 H new ATOM 0 HA LYS A 119 -15.693 -19.896 5.497 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -14.951 -17.835 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -14.790 -19.500 8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.291 -20.010 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -13.587 -18.452 5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.523 -17.294 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.338 -18.805 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.137 -18.473 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.309 -17.834 6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.548 -20.058 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.320 -20.056 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.123 -20.675 6.469 1.00 0.00 H new ATOM 1902 N LYS A 120 -16.926 -21.329 7.120 1.00 0.00 N ATOM 1903 CA LYS A 120 -17.818 -22.226 7.851 1.00 0.00 C ATOM 1904 C LYS A 120 -19.266 -21.999 7.428 1.00 0.00 C ATOM 1905 O LYS A 120 -20.156 -21.981 8.301 1.00 0.00 O ATOM 1906 CB LYS A 120 -17.655 -22.047 9.365 1.00 0.00 C ATOM 1907 CG LYS A 120 -17.949 -23.311 10.163 1.00 0.00 C ATOM 1908 CD LYS A 120 -17.043 -24.458 9.742 1.00 0.00 C ATOM 1909 CE LYS A 120 -17.349 -25.736 10.509 1.00 0.00 C ATOM 1910 NZ LYS A 120 -18.537 -26.450 9.965 1.00 0.00 N ATOM 1911 OXT LYS A 120 -19.505 -21.834 6.209 1.00 0.00 O ATOM 0 H LYS A 120 -16.196 -21.814 6.597 1.00 0.00 H new ATOM 0 HA LYS A 120 -17.547 -23.253 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -16.636 -21.722 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -18.320 -21.252 9.702 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -17.815 -23.111 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -18.991 -23.598 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -17.160 -24.639 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -16.003 -24.177 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -16.482 -26.396 10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -17.521 -25.495 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -18.707 -27.314 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -19.371 -25.831 10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -18.364 -26.704 8.971 1.00 0.00 H new TER 1925 LYS A 120