USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 710 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.255 (180deg=-4.77!) USER MOD Single : A 3 GLN : amide:sc= -4.45 K(o=-4.5,f=-14!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00254 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -0.261 (180deg=-1.28!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= -1.02 (180deg=-1.03) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.72) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 37 GLN : amide:sc= -0.594 K(o=-0.59,f=-3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.719 K(o=-0.72,f=-2.1!) USER MOD Single : A 47 SER OG : rot 180:sc= -2.63! USER MOD Single : A 51 ASN : amide:sc= -2.01! C(o=-2!,f=-7.2!) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.0489 (180deg=-0.443) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.33) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0745 K(o=-0.075,f=-3.4!) USER MOD Single : A 68 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.1) USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.71! USER MOD Single : A 72 GLN : amide:sc= -2.65 X(o=-2.7,f=-2.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.36) USER MOD Single : A 78 THR OG1 : rot -69:sc= -0.0885! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 87 HIS : no HD1:sc= 0.267 K(o=0.27,f=-1.6!) USER MOD Single : A 88 HIS : no HE2:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 89 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.9!) USER MOD Single : A 90 HIS : no HD1:sc= -0.012 X(o=-0.012,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.173 -3.757 25.027 1.00 0.00 N ATOM 2 CA MET A 1 -19.257 -4.931 25.017 1.00 0.00 C ATOM 3 C MET A 1 -18.197 -4.734 23.946 1.00 0.00 C ATOM 4 O MET A 1 -18.505 -4.706 22.762 1.00 0.00 O ATOM 5 CB MET A 1 -20.063 -6.201 24.724 1.00 0.00 C ATOM 6 CG MET A 1 -20.952 -6.529 25.924 1.00 0.00 C ATOM 7 SD MET A 1 -21.946 -7.996 25.555 1.00 0.00 S ATOM 8 CE MET A 1 -23.046 -7.890 26.988 1.00 0.00 C ATOM 0 H1 MET A 1 -20.394 -3.498 26.010 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.713 -2.954 24.552 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.052 -3.998 24.526 1.00 0.00 H new ATOM 0 HA MET A 1 -18.772 -5.029 25.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.675 -6.059 23.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.389 -7.033 24.519 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.338 -6.705 26.807 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.602 -5.684 26.151 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.757 -8.716 26.963 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.457 -7.946 27.904 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.587 -6.944 26.962 1.00 0.00 H new ATOM 20 N GLY A 2 -16.947 -4.598 24.371 1.00 0.00 N ATOM 21 CA GLY A 2 -15.845 -4.405 23.435 1.00 0.00 C ATOM 22 C GLY A 2 -14.523 -4.275 24.183 1.00 0.00 C ATOM 23 O GLY A 2 -14.445 -3.605 25.213 1.00 0.00 O ATOM 0 H GLY A 2 -16.671 -4.618 25.353 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.797 -5.246 22.743 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.021 -3.510 22.837 1.00 0.00 H new ATOM 27 N GLN A 3 -13.479 -4.909 23.655 1.00 0.00 N ATOM 28 CA GLN A 3 -12.157 -4.841 24.274 1.00 0.00 C ATOM 29 C GLN A 3 -11.056 -4.915 23.219 1.00 0.00 C ATOM 30 O GLN A 3 -9.872 -4.845 23.542 1.00 0.00 O ATOM 31 CB GLN A 3 -12.006 -6.008 25.271 1.00 0.00 C ATOM 32 CG GLN A 3 -11.542 -5.479 26.631 1.00 0.00 C ATOM 33 CD GLN A 3 -10.227 -4.724 26.461 1.00 0.00 C ATOM 34 OE1 GLN A 3 -9.300 -5.235 25.837 1.00 0.00 O ATOM 35 NE2 GLN A 3 -10.097 -3.531 26.973 1.00 0.00 N ATOM 0 H GLN A 3 -13.521 -5.472 22.806 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.061 -3.890 24.797 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.957 -6.529 25.380 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.287 -6.733 24.889 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.300 -4.820 27.055 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.412 -6.306 27.330 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.869 -3.111 27.490 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.223 -3.018 26.856 1.00 0.00 H new ATOM 44 N ILE A 4 -11.451 -5.093 21.971 1.00 0.00 N ATOM 45 CA ILE A 4 -10.493 -5.222 20.881 1.00 0.00 C ATOM 46 C ILE A 4 -10.016 -3.853 20.426 1.00 0.00 C ATOM 47 O ILE A 4 -10.641 -2.840 20.710 1.00 0.00 O ATOM 48 CB ILE A 4 -11.125 -5.979 19.713 1.00 0.00 C ATOM 49 CG1 ILE A 4 -11.256 -7.470 20.059 1.00 0.00 C ATOM 50 CG2 ILE A 4 -10.245 -5.838 18.463 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.927 -7.631 21.429 1.00 0.00 C ATOM 0 H ILE A 4 -12.428 -5.152 21.684 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.631 -5.785 21.240 1.00 0.00 H new ATOM 0 HB ILE A 4 -12.112 -5.559 19.521 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.843 -7.979 19.295 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.272 -7.938 20.069 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.701 -6.380 17.634 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -10.152 -4.784 18.200 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.256 -6.250 18.666 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.017 -8.691 21.668 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.323 -7.137 22.190 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.919 -7.180 21.404 1.00 0.00 H new ATOM 63 N PHE A 5 -8.898 -3.831 19.717 1.00 0.00 N ATOM 64 CA PHE A 5 -8.352 -2.578 19.220 1.00 0.00 C ATOM 65 C PHE A 5 -9.375 -1.864 18.335 1.00 0.00 C ATOM 66 O PHE A 5 -10.390 -2.445 17.949 1.00 0.00 O ATOM 67 CB PHE A 5 -7.085 -2.849 18.410 1.00 0.00 C ATOM 68 CG PHE A 5 -6.303 -1.563 18.258 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.372 -1.192 19.235 1.00 0.00 C ATOM 70 CD2 PHE A 5 -6.508 -0.744 17.143 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.650 0.000 19.098 1.00 0.00 C ATOM 72 CE2 PHE A 5 -5.786 0.447 17.004 1.00 0.00 C ATOM 73 CZ PHE A 5 -4.856 0.818 17.981 1.00 0.00 C ATOM 0 H PHE A 5 -8.355 -4.659 19.474 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.113 -1.942 20.072 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.475 -3.602 18.909 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.345 -3.248 17.429 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -5.210 -1.825 20.095 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.225 -1.031 16.388 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.934 0.288 19.854 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.947 1.079 16.143 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.297 1.736 17.873 1.00 0.00 H new ATOM 83 N THR A 6 -9.101 -0.602 18.027 1.00 0.00 N ATOM 84 CA THR A 6 -10.007 0.184 17.197 1.00 0.00 C ATOM 85 C THR A 6 -10.154 -0.447 15.815 1.00 0.00 C ATOM 86 O THR A 6 -9.301 -1.215 15.376 1.00 0.00 O ATOM 87 CB THR A 6 -9.475 1.612 17.052 1.00 0.00 C ATOM 88 OG1 THR A 6 -9.087 2.103 18.329 1.00 0.00 O ATOM 89 CG2 THR A 6 -10.567 2.513 16.472 1.00 0.00 C ATOM 0 H THR A 6 -8.266 -0.104 18.336 1.00 0.00 H new ATOM 0 HA THR A 6 -10.984 0.206 17.680 1.00 0.00 H new ATOM 0 HB THR A 6 -8.615 1.611 16.383 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.744 3.017 18.238 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.185 3.529 16.370 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.866 2.138 15.493 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.429 2.515 17.139 1.00 0.00 H new ATOM 97 N VAL A 7 -11.245 -0.118 15.135 1.00 0.00 N ATOM 98 CA VAL A 7 -11.495 -0.654 13.804 1.00 0.00 C ATOM 99 C VAL A 7 -10.464 -0.133 12.810 1.00 0.00 C ATOM 100 O VAL A 7 -10.246 -0.732 11.759 1.00 0.00 O ATOM 101 CB VAL A 7 -12.900 -0.268 13.337 1.00 0.00 C ATOM 102 CG1 VAL A 7 -13.116 -0.754 11.903 1.00 0.00 C ATOM 103 CG2 VAL A 7 -13.937 -0.918 14.254 1.00 0.00 C ATOM 0 H VAL A 7 -11.967 0.514 15.481 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.416 -1.740 13.853 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.008 0.816 13.373 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.117 -0.478 11.572 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.377 -0.293 11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.007 -1.838 11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.939 -0.644 13.923 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.827 -2.002 14.217 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.786 -0.572 15.277 1.00 0.00 H new ATOM 113 N GLN A 8 -9.845 0.995 13.142 1.00 0.00 N ATOM 114 CA GLN A 8 -8.849 1.594 12.262 1.00 0.00 C ATOM 115 C GLN A 8 -7.759 0.592 11.913 1.00 0.00 C ATOM 116 O GLN A 8 -7.326 0.508 10.763 1.00 0.00 O ATOM 117 CB GLN A 8 -8.226 2.820 12.934 1.00 0.00 C ATOM 118 CG GLN A 8 -9.233 3.971 12.940 1.00 0.00 C ATOM 119 CD GLN A 8 -8.626 5.188 13.633 1.00 0.00 C ATOM 120 OE1 GLN A 8 -7.463 5.160 14.035 1.00 0.00 O ATOM 121 NE2 GLN A 8 -9.348 6.265 13.793 1.00 0.00 N ATOM 0 H GLN A 8 -10.014 1.509 14.007 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.347 1.898 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.931 2.577 13.955 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.322 3.118 12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.513 4.226 11.918 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.144 3.666 13.454 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.312 6.287 13.459 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.948 7.084 14.251 1.00 0.00 H new ATOM 130 N GLU A 9 -7.320 -0.170 12.908 1.00 0.00 N ATOM 131 CA GLU A 9 -6.275 -1.163 12.687 1.00 0.00 C ATOM 132 C GLU A 9 -6.768 -2.241 11.727 1.00 0.00 C ATOM 133 O GLU A 9 -6.080 -2.590 10.767 1.00 0.00 O ATOM 134 CB GLU A 9 -5.881 -1.804 14.021 1.00 0.00 C ATOM 135 CG GLU A 9 -4.695 -2.749 13.807 1.00 0.00 C ATOM 136 CD GLU A 9 -3.445 -1.943 13.472 1.00 0.00 C ATOM 137 OE1 GLU A 9 -3.484 -0.733 13.629 1.00 0.00 O ATOM 138 OE2 GLU A 9 -2.474 -2.546 13.048 1.00 0.00 O ATOM 0 H GLU A 9 -7.667 -0.121 13.866 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.406 -0.670 12.251 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.618 -1.031 14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.726 -2.353 14.436 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.526 -3.343 14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.916 -3.447 12.999 1.00 0.00 H new ATOM 145 N LEU A 10 -7.958 -2.762 11.988 1.00 0.00 N ATOM 146 CA LEU A 10 -8.531 -3.792 11.137 1.00 0.00 C ATOM 147 C LEU A 10 -8.958 -3.204 9.794 1.00 0.00 C ATOM 148 O LEU A 10 -8.991 -3.901 8.780 1.00 0.00 O ATOM 149 CB LEU A 10 -9.738 -4.438 11.826 1.00 0.00 C ATOM 150 CG LEU A 10 -10.237 -5.627 10.993 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.150 -6.717 10.923 1.00 0.00 C ATOM 152 CD2 LEU A 10 -11.502 -6.201 11.636 1.00 0.00 C ATOM 0 H LEU A 10 -8.542 -2.490 12.778 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.770 -4.552 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.461 -4.773 12.826 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.536 -3.705 11.945 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.462 -5.288 9.982 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.514 -7.556 10.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.253 -6.307 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.913 -7.060 11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.859 -7.046 11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.276 -6.535 12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.273 -5.432 11.671 1.00 0.00 H new ATOM 164 N LYS A 11 -9.304 -1.926 9.804 1.00 0.00 N ATOM 165 CA LYS A 11 -9.746 -1.254 8.589 1.00 0.00 C ATOM 166 C LYS A 11 -8.659 -1.302 7.524 1.00 0.00 C ATOM 167 O LYS A 11 -8.945 -1.489 6.340 1.00 0.00 O ATOM 168 CB LYS A 11 -10.099 0.199 8.898 1.00 0.00 C ATOM 169 CG LYS A 11 -10.678 0.863 7.647 1.00 0.00 C ATOM 170 CD LYS A 11 -11.234 2.252 8.006 1.00 0.00 C ATOM 171 CE LYS A 11 -12.705 2.127 8.414 1.00 0.00 C ATOM 172 NZ LYS A 11 -13.494 1.609 7.260 1.00 0.00 N ATOM 0 H LYS A 11 -9.288 -1.335 10.635 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.629 -1.769 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.821 0.243 9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.211 0.737 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.906 0.956 6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.469 0.242 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.656 2.687 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.138 2.925 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.802 1.455 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.091 3.097 8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.439 2.044 7.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.007 1.845 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.588 0.576 7.339 1.00 0.00 H new ATOM 186 N GLU A 12 -7.412 -1.131 7.949 1.00 0.00 N ATOM 187 CA GLU A 12 -6.288 -1.156 7.018 1.00 0.00 C ATOM 188 C GLU A 12 -6.185 -2.518 6.338 1.00 0.00 C ATOM 189 O GLU A 12 -5.997 -2.603 5.125 1.00 0.00 O ATOM 190 CB GLU A 12 -4.988 -0.858 7.769 1.00 0.00 C ATOM 191 CG GLU A 12 -5.023 0.573 8.307 1.00 0.00 C ATOM 192 CD GLU A 12 -4.972 1.567 7.151 1.00 0.00 C ATOM 193 OE1 GLU A 12 -4.518 1.181 6.085 1.00 0.00 O ATOM 194 OE2 GLU A 12 -5.384 2.698 7.348 1.00 0.00 O ATOM 0 H GLU A 12 -7.154 -0.975 8.923 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.452 -0.395 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.861 -1.563 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.134 -0.986 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.930 0.728 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.180 0.739 8.977 1.00 0.00 H new ATOM 201 N ARG A 13 -6.316 -3.579 7.124 1.00 0.00 N ATOM 202 CA ARG A 13 -6.243 -4.933 6.585 1.00 0.00 C ATOM 203 C ARG A 13 -7.444 -5.227 5.701 1.00 0.00 C ATOM 204 O ARG A 13 -7.338 -5.962 4.720 1.00 0.00 O ATOM 205 CB ARG A 13 -6.182 -5.947 7.730 1.00 0.00 C ATOM 206 CG ARG A 13 -4.830 -5.819 8.465 1.00 0.00 C ATOM 207 CD ARG A 13 -3.831 -6.831 7.896 1.00 0.00 C ATOM 208 NE ARG A 13 -3.611 -6.576 6.476 1.00 0.00 N ATOM 209 CZ ARG A 13 -2.768 -5.634 6.071 1.00 0.00 C ATOM 210 NH1 ARG A 13 -2.124 -4.916 6.948 1.00 0.00 N ATOM 211 NH2 ARG A 13 -2.587 -5.424 4.795 1.00 0.00 N ATOM 0 H ARG A 13 -6.472 -3.530 8.131 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.340 -5.014 5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.003 -5.775 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.301 -6.958 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.440 -4.807 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.968 -5.992 9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.886 -6.764 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.208 -7.844 8.037 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.113 -7.131 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.268 -5.078 7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.476 -4.192 6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.093 -5.984 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.939 -4.700 4.484 1.00 0.00 H new ATOM 225 N ALA A 14 -8.585 -4.658 6.060 1.00 0.00 N ATOM 226 CA ALA A 14 -9.810 -4.867 5.298 1.00 0.00 C ATOM 227 C ALA A 14 -9.732 -4.154 3.952 1.00 0.00 C ATOM 228 O ALA A 14 -10.603 -4.322 3.099 1.00 0.00 O ATOM 229 CB ALA A 14 -11.015 -4.349 6.085 1.00 0.00 C ATOM 0 H ALA A 14 -8.690 -4.049 6.872 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.927 -5.937 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.924 -4.510 5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.088 -4.884 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.892 -3.283 6.278 1.00 0.00 H new ATOM 235 N LYS A 15 -8.691 -3.347 3.774 1.00 0.00 N ATOM 236 CA LYS A 15 -8.519 -2.601 2.531 1.00 0.00 C ATOM 237 C LYS A 15 -8.622 -3.536 1.329 1.00 0.00 C ATOM 238 O LYS A 15 -9.153 -3.160 0.284 1.00 0.00 O ATOM 239 CB LYS A 15 -7.154 -1.907 2.522 1.00 0.00 C ATOM 240 CG LYS A 15 -7.050 -1.001 1.296 1.00 0.00 C ATOM 241 CD LYS A 15 -5.707 -0.267 1.318 1.00 0.00 C ATOM 242 CE LYS A 15 -5.611 0.651 0.101 1.00 0.00 C ATOM 243 NZ LYS A 15 -4.309 1.377 0.127 1.00 0.00 N ATOM 0 H LYS A 15 -7.959 -3.193 4.468 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.308 -1.852 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.026 -1.321 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.357 -2.650 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.139 -1.592 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.870 -0.282 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.613 0.315 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.887 -0.985 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.696 0.067 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.436 1.363 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.243 2.002 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.246 1.946 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.528 0.690 0.105 1.00 0.00 H new ATOM 257 N VAL A 16 -8.116 -4.755 1.484 1.00 0.00 N ATOM 258 CA VAL A 16 -8.162 -5.733 0.401 1.00 0.00 C ATOM 259 C VAL A 16 -9.552 -6.358 0.306 1.00 0.00 C ATOM 260 O VAL A 16 -10.247 -6.508 1.312 1.00 0.00 O ATOM 261 CB VAL A 16 -7.124 -6.829 0.646 1.00 0.00 C ATOM 262 CG1 VAL A 16 -5.756 -6.191 0.886 1.00 0.00 C ATOM 263 CG2 VAL A 16 -7.527 -7.651 1.873 1.00 0.00 C ATOM 0 H VAL A 16 -7.673 -5.088 2.340 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.939 -5.224 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.073 -7.481 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.016 -6.972 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.468 -5.607 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.807 -5.538 1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.787 -8.432 2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.580 -7.000 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.502 -8.107 1.701 1.00 0.00 H new ATOM 273 N PHE A 17 -9.952 -6.717 -0.910 1.00 0.00 N ATOM 274 CA PHE A 17 -11.262 -7.319 -1.124 1.00 0.00 C ATOM 275 C PHE A 17 -11.303 -8.733 -0.558 1.00 0.00 C ATOM 276 O PHE A 17 -10.530 -9.597 -0.969 1.00 0.00 O ATOM 277 CB PHE A 17 -11.579 -7.356 -2.622 1.00 0.00 C ATOM 278 CG PHE A 17 -10.575 -8.237 -3.329 1.00 0.00 C ATOM 279 CD1 PHE A 17 -9.359 -7.701 -3.765 1.00 0.00 C ATOM 280 CD2 PHE A 17 -10.860 -9.591 -3.543 1.00 0.00 C ATOM 281 CE1 PHE A 17 -8.429 -8.517 -4.420 1.00 0.00 C ATOM 282 CE2 PHE A 17 -9.931 -10.408 -4.197 1.00 0.00 C ATOM 283 CZ PHE A 17 -8.713 -9.871 -4.633 1.00 0.00 C ATOM 0 H PHE A 17 -9.393 -6.603 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.008 -6.714 -0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.588 -7.736 -2.782 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.549 -6.348 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.137 -6.658 -3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.798 -10.005 -3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.492 -8.102 -4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.153 -11.451 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.993 -10.502 -5.133 1.00 0.00 H new ATOM 293 N ALA A 18 -12.210 -8.963 0.384 1.00 0.00 N ATOM 294 CA ALA A 18 -12.345 -10.281 0.997 1.00 0.00 C ATOM 295 C ALA A 18 -13.377 -10.236 2.113 1.00 0.00 C ATOM 296 O ALA A 18 -13.039 -10.409 3.286 1.00 0.00 O ATOM 297 CB ALA A 18 -10.994 -10.740 1.560 1.00 0.00 C ATOM 0 H ALA A 18 -12.859 -8.261 0.739 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.674 -10.989 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.105 -11.724 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.263 -10.794 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.653 -10.029 2.312 1.00 0.00 H new ATOM 303 N LYS A 19 -14.638 -10.005 1.744 1.00 0.00 N ATOM 304 CA LYS A 19 -15.709 -9.941 2.726 1.00 0.00 C ATOM 305 C LYS A 19 -16.426 -11.292 2.825 1.00 0.00 C ATOM 306 O LYS A 19 -17.079 -11.724 1.873 1.00 0.00 O ATOM 307 CB LYS A 19 -16.709 -8.858 2.349 1.00 0.00 C ATOM 308 CG LYS A 19 -15.950 -7.566 2.044 1.00 0.00 C ATOM 309 CD LYS A 19 -15.112 -7.148 3.263 1.00 0.00 C ATOM 310 CE LYS A 19 -14.769 -5.663 3.168 1.00 0.00 C ATOM 311 NZ LYS A 19 -13.684 -5.343 4.135 1.00 0.00 N ATOM 0 H LYS A 19 -14.936 -9.861 0.779 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.270 -9.700 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.290 -9.168 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.415 -8.697 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.302 -7.711 1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.653 -6.774 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.665 -7.345 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.198 -7.740 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.453 -5.416 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.652 -5.060 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.344 -4.374 3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.050 -5.418 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.898 -6.012 4.009 1.00 0.00 H new ATOM 325 N PRO A 20 -16.337 -11.952 3.955 1.00 0.00 N ATOM 326 CA PRO A 20 -17.008 -13.267 4.172 1.00 0.00 C ATOM 327 C PRO A 20 -18.502 -13.208 3.852 1.00 0.00 C ATOM 328 O PRO A 20 -19.158 -12.192 4.082 1.00 0.00 O ATOM 329 CB PRO A 20 -16.784 -13.543 5.671 1.00 0.00 C ATOM 330 CG PRO A 20 -15.578 -12.747 6.047 1.00 0.00 C ATOM 331 CD PRO A 20 -15.564 -11.535 5.136 1.00 0.00 C ATOM 0 HA PRO A 20 -16.607 -14.045 3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -17.651 -13.243 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.626 -14.606 5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.622 -12.446 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.670 -13.336 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.016 -10.669 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.546 -11.254 4.865 1.00 0.00 H new ATOM 339 N ILE A 21 -19.027 -14.304 3.321 1.00 0.00 N ATOM 340 CA ILE A 21 -20.440 -14.371 2.973 1.00 0.00 C ATOM 341 C ILE A 21 -21.300 -14.411 4.228 1.00 0.00 C ATOM 342 O ILE A 21 -20.866 -14.893 5.273 1.00 0.00 O ATOM 343 CB ILE A 21 -20.713 -15.619 2.127 1.00 0.00 C ATOM 344 CG1 ILE A 21 -19.642 -15.739 1.038 1.00 0.00 C ATOM 345 CG2 ILE A 21 -22.092 -15.503 1.474 1.00 0.00 C ATOM 346 CD1 ILE A 21 -19.525 -14.416 0.272 1.00 0.00 C ATOM 0 H ILE A 21 -18.500 -15.154 3.123 1.00 0.00 H new ATOM 0 HA ILE A 21 -20.694 -13.480 2.399 1.00 0.00 H new ATOM 0 HB ILE A 21 -20.687 -16.503 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -18.682 -15.995 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -19.898 -16.545 0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -22.286 -16.391 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -22.855 -15.416 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -22.119 -14.620 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -18.762 -14.509 -0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -20.483 -14.178 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -19.247 -13.619 0.962 1.00 0.00 H new ATOM 358 N GLY A 22 -22.523 -13.899 4.118 1.00 0.00 N ATOM 359 CA GLY A 22 -23.439 -13.880 5.252 1.00 0.00 C ATOM 360 C GLY A 22 -23.233 -12.634 6.102 1.00 0.00 C ATOM 361 O GLY A 22 -23.741 -12.542 7.219 1.00 0.00 O ATOM 0 H GLY A 22 -22.900 -13.495 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.468 -13.913 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.286 -14.770 5.862 1.00 0.00 H new ATOM 365 N ALA A 23 -22.487 -11.672 5.565 1.00 0.00 N ATOM 366 CA ALA A 23 -22.222 -10.430 6.284 1.00 0.00 C ATOM 367 C ALA A 23 -21.943 -10.707 7.759 1.00 0.00 C ATOM 368 O ALA A 23 -22.427 -9.994 8.637 1.00 0.00 O ATOM 369 CB ALA A 23 -23.424 -9.491 6.158 1.00 0.00 C ATOM 0 H ALA A 23 -22.058 -11.728 4.641 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.342 -9.960 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.221 -8.565 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.602 -9.267 5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -24.306 -9.971 6.581 1.00 0.00 H new ATOM 375 N SER A 24 -21.165 -11.753 8.020 1.00 0.00 N ATOM 376 CA SER A 24 -20.832 -12.121 9.391 1.00 0.00 C ATOM 377 C SER A 24 -19.714 -11.234 9.927 1.00 0.00 C ATOM 378 O SER A 24 -19.490 -11.163 11.135 1.00 0.00 O ATOM 379 CB SER A 24 -20.395 -13.585 9.447 1.00 0.00 C ATOM 380 OG SER A 24 -21.501 -14.418 9.125 1.00 0.00 O ATOM 0 H SER A 24 -20.756 -12.356 7.306 1.00 0.00 H new ATOM 0 HA SER A 24 -21.719 -11.983 10.010 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.578 -13.760 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.020 -13.827 10.442 1.00 0.00 H new ATOM 0 HG SER A 24 -21.224 -15.357 9.158 1.00 0.00 H new ATOM 386 N TYR A 25 -19.017 -10.556 9.021 1.00 0.00 N ATOM 387 CA TYR A 25 -17.927 -9.672 9.413 1.00 0.00 C ATOM 388 C TYR A 25 -18.470 -8.351 9.946 1.00 0.00 C ATOM 389 O TYR A 25 -17.774 -7.623 10.651 1.00 0.00 O ATOM 390 CB TYR A 25 -17.010 -9.407 8.218 1.00 0.00 C ATOM 391 CG TYR A 25 -17.788 -8.701 7.135 1.00 0.00 C ATOM 392 CD1 TYR A 25 -17.874 -7.304 7.132 1.00 0.00 C ATOM 393 CD2 TYR A 25 -18.423 -9.443 6.132 1.00 0.00 C ATOM 394 CE1 TYR A 25 -18.597 -6.649 6.127 1.00 0.00 C ATOM 395 CE2 TYR A 25 -19.146 -8.788 5.127 1.00 0.00 C ATOM 396 CZ TYR A 25 -19.232 -7.390 5.125 1.00 0.00 C ATOM 397 OH TYR A 25 -19.944 -6.745 4.134 1.00 0.00 O ATOM 0 H TYR A 25 -19.187 -10.602 8.016 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.358 -10.161 10.204 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -16.160 -8.798 8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -16.608 -10.347 7.839 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.383 -6.731 7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.355 -10.521 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.664 -5.571 6.126 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -19.637 -9.361 4.354 1.00 0.00 H new ATOM 0 HH TYR A 25 -20.321 -7.407 3.518 1.00 0.00 H new ATOM 407 N GLN A 26 -19.715 -8.046 9.600 1.00 0.00 N ATOM 408 CA GLN A 26 -20.336 -6.805 10.044 1.00 0.00 C ATOM 409 C GLN A 26 -20.458 -6.781 11.564 1.00 0.00 C ATOM 410 O GLN A 26 -20.215 -5.754 12.198 1.00 0.00 O ATOM 411 CB GLN A 26 -21.728 -6.667 9.419 1.00 0.00 C ATOM 412 CG GLN A 26 -22.327 -5.309 9.795 1.00 0.00 C ATOM 413 CD GLN A 26 -23.698 -5.147 9.149 1.00 0.00 C ATOM 414 OE1 GLN A 26 -24.620 -5.906 9.447 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.887 -4.196 8.275 1.00 0.00 N ATOM 0 H GLN A 26 -20.310 -8.636 9.018 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.708 -5.972 9.727 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.662 -6.759 8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.376 -7.471 9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.415 -5.228 10.878 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.665 -4.507 9.468 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.121 -3.569 8.030 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.801 -4.080 7.837 1.00 0.00 H new ATOM 424 N GLY A 27 -20.835 -7.915 12.142 1.00 0.00 N ATOM 425 CA GLY A 27 -20.985 -8.009 13.590 1.00 0.00 C ATOM 426 C GLY A 27 -19.629 -8.115 14.275 1.00 0.00 C ATOM 427 O GLY A 27 -19.500 -7.835 15.467 1.00 0.00 O ATOM 0 H GLY A 27 -21.041 -8.776 11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.516 -7.133 13.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.592 -8.879 13.840 1.00 0.00 H new ATOM 431 N ILE A 28 -18.619 -8.527 13.515 1.00 0.00 N ATOM 432 CA ILE A 28 -17.278 -8.669 14.064 1.00 0.00 C ATOM 433 C ILE A 28 -16.669 -7.310 14.350 1.00 0.00 C ATOM 434 O ILE A 28 -15.816 -7.183 15.221 1.00 0.00 O ATOM 435 CB ILE A 28 -16.391 -9.443 13.082 1.00 0.00 C ATOM 436 CG1 ILE A 28 -16.865 -10.905 13.004 1.00 0.00 C ATOM 437 CG2 ILE A 28 -14.926 -9.395 13.554 1.00 0.00 C ATOM 438 CD1 ILE A 28 -16.216 -11.734 14.123 1.00 0.00 C ATOM 0 H ILE A 28 -18.703 -8.766 12.527 1.00 0.00 H new ATOM 0 HA ILE A 28 -17.345 -9.222 15.001 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.462 -8.987 12.095 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -17.951 -10.948 13.092 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.607 -11.327 12.033 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.300 -9.946 12.853 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -14.593 -8.358 13.601 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -14.847 -9.846 14.543 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.559 -12.766 14.057 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -15.132 -11.705 14.015 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -16.496 -11.320 15.092 1.00 0.00 H new ATOM 450 N LEU A 29 -17.106 -6.302 13.610 1.00 0.00 N ATOM 451 CA LEU A 29 -16.590 -4.948 13.798 1.00 0.00 C ATOM 452 C LEU A 29 -17.467 -4.179 14.775 1.00 0.00 C ATOM 453 O LEU A 29 -17.041 -3.176 15.344 1.00 0.00 O ATOM 454 CB LEU A 29 -16.544 -4.211 12.447 1.00 0.00 C ATOM 455 CG LEU A 29 -15.217 -4.497 11.737 1.00 0.00 C ATOM 456 CD1 LEU A 29 -15.172 -5.957 11.291 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.085 -3.585 10.519 1.00 0.00 C ATOM 0 H LEU A 29 -17.811 -6.391 12.878 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.581 -5.012 14.206 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -17.377 -4.531 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.657 -3.138 12.605 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.393 -4.308 12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.226 -6.154 10.787 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.261 -6.606 12.162 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -15.996 -6.154 10.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.141 -3.788 10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.912 -3.772 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -15.108 -2.544 10.840 1.00 0.00 H new ATOM 469 N ASP A 30 -18.687 -4.655 14.962 1.00 0.00 N ATOM 470 CA ASP A 30 -19.617 -4.000 15.874 1.00 0.00 C ATOM 471 C ASP A 30 -19.049 -3.981 17.289 1.00 0.00 C ATOM 472 O ASP A 30 -19.184 -2.994 18.011 1.00 0.00 O ATOM 473 CB ASP A 30 -20.959 -4.734 15.870 1.00 0.00 C ATOM 474 CG ASP A 30 -21.947 -4.018 16.785 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.541 -3.070 17.436 1.00 0.00 O ATOM 476 OD2 ASP A 30 -23.097 -4.425 16.816 1.00 0.00 O ATOM 0 H ASP A 30 -19.057 -5.486 14.500 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.766 -2.974 15.538 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.356 -4.778 14.856 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.821 -5.763 16.203 1.00 0.00 H new ATOM 481 N GLN A 31 -18.419 -5.084 17.681 1.00 0.00 N ATOM 482 CA GLN A 31 -17.840 -5.183 19.012 1.00 0.00 C ATOM 483 C GLN A 31 -16.672 -4.213 19.166 1.00 0.00 C ATOM 484 O GLN A 31 -16.451 -3.662 20.243 1.00 0.00 O ATOM 485 CB GLN A 31 -17.362 -6.627 19.277 1.00 0.00 C ATOM 486 CG GLN A 31 -17.612 -6.998 20.743 1.00 0.00 C ATOM 487 CD GLN A 31 -19.066 -7.419 20.931 1.00 0.00 C ATOM 488 OE1 GLN A 31 -19.514 -8.389 20.319 1.00 0.00 O ATOM 489 NE2 GLN A 31 -19.835 -6.739 21.731 1.00 0.00 N ATOM 0 H GLN A 31 -18.298 -5.914 17.100 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.607 -4.920 19.740 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.890 -7.320 18.622 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -16.300 -6.716 19.046 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.948 -7.810 21.040 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -17.384 -6.148 21.386 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.462 -5.936 22.237 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -20.811 -7.009 21.852 1.00 0.00 H new ATOM 498 N LEU A 32 -15.917 -4.033 18.089 1.00 0.00 N ATOM 499 CA LEU A 32 -14.762 -3.143 18.123 1.00 0.00 C ATOM 500 C LEU A 32 -15.191 -1.718 18.428 1.00 0.00 C ATOM 501 O LEU A 32 -14.564 -1.036 19.229 1.00 0.00 O ATOM 502 CB LEU A 32 -14.037 -3.188 16.768 1.00 0.00 C ATOM 503 CG LEU A 32 -13.107 -4.400 16.716 1.00 0.00 C ATOM 504 CD1 LEU A 32 -13.887 -5.670 17.058 1.00 0.00 C ATOM 505 CD2 LEU A 32 -12.507 -4.525 15.314 1.00 0.00 C ATOM 0 H LEU A 32 -16.081 -4.486 17.190 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.087 -3.477 18.911 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.764 -3.242 15.958 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.464 -2.272 16.622 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.305 -4.268 17.443 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.218 -6.530 17.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.305 -5.581 18.061 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.695 -5.806 16.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.844 -5.389 15.278 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.308 -4.651 14.585 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.941 -3.624 15.079 1.00 0.00 H new ATOM 517 N ASP A 33 -16.260 -1.276 17.786 1.00 0.00 N ATOM 518 CA ASP A 33 -16.763 0.074 18.003 1.00 0.00 C ATOM 519 C ASP A 33 -17.250 0.241 19.437 1.00 0.00 C ATOM 520 O ASP A 33 -17.178 1.330 20.008 1.00 0.00 O ATOM 521 CB ASP A 33 -17.906 0.367 17.031 1.00 0.00 C ATOM 522 CG ASP A 33 -17.360 0.522 15.615 1.00 0.00 C ATOM 523 OD1 ASP A 33 -16.159 0.691 15.479 1.00 0.00 O ATOM 524 OD2 ASP A 33 -18.151 0.467 14.689 1.00 0.00 O ATOM 0 H ASP A 33 -16.795 -1.827 17.114 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.950 0.778 17.827 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.636 -0.441 17.061 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.425 1.277 17.331 1.00 0.00 H new ATOM 529 N LEU A 34 -17.754 -0.843 20.011 1.00 0.00 N ATOM 530 CA LEU A 34 -18.254 -0.815 21.381 1.00 0.00 C ATOM 531 C LEU A 34 -17.114 -0.697 22.378 1.00 0.00 C ATOM 532 O LEU A 34 -17.315 -0.274 23.513 1.00 0.00 O ATOM 533 CB LEU A 34 -19.068 -2.074 21.668 1.00 0.00 C ATOM 534 CG LEU A 34 -20.410 -2.005 20.927 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.106 -3.373 20.998 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.313 -0.932 21.573 1.00 0.00 C ATOM 0 H LEU A 34 -17.828 -1.751 19.552 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.894 0.061 21.489 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.513 -2.957 21.352 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.239 -2.171 22.740 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.230 -1.741 19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.059 -3.324 20.472 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -20.473 -4.128 20.532 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -21.280 -3.639 22.041 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.264 -0.889 21.042 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.492 -1.188 22.617 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.821 0.039 21.517 1.00 0.00 H new ATOM 548 N VAL A 35 -15.920 -1.084 21.953 1.00 0.00 N ATOM 549 CA VAL A 35 -14.756 -1.031 22.830 1.00 0.00 C ATOM 550 C VAL A 35 -14.689 0.308 23.548 1.00 0.00 C ATOM 551 O VAL A 35 -14.092 0.416 24.619 1.00 0.00 O ATOM 552 CB VAL A 35 -13.481 -1.242 22.005 1.00 0.00 C ATOM 553 CG1 VAL A 35 -12.252 -1.003 22.893 1.00 0.00 C ATOM 554 CG2 VAL A 35 -13.445 -2.673 21.459 1.00 0.00 C ATOM 0 H VAL A 35 -15.731 -1.436 21.014 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.843 -1.821 23.576 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.473 -0.540 21.172 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.345 -1.153 22.307 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.272 0.017 23.276 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.265 -1.704 23.728 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.537 -2.816 20.874 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.457 -3.380 22.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.315 -2.843 20.825 1.00 0.00 H new ATOM 564 N HIS A 36 -15.309 1.322 22.960 1.00 0.00 N ATOM 565 CA HIS A 36 -15.319 2.651 23.561 1.00 0.00 C ATOM 566 C HIS A 36 -16.487 2.792 24.532 1.00 0.00 C ATOM 567 O HIS A 36 -16.382 3.479 25.548 1.00 0.00 O ATOM 568 CB HIS A 36 -15.429 3.716 22.470 1.00 0.00 C ATOM 569 CG HIS A 36 -15.369 5.082 23.095 1.00 0.00 C ATOM 570 ND1 HIS A 36 -14.221 5.566 23.703 1.00 0.00 N ATOM 571 CD2 HIS A 36 -16.305 6.079 23.215 1.00 0.00 C ATOM 572 CE1 HIS A 36 -14.493 6.804 24.156 1.00 0.00 C ATOM 573 NE2 HIS A 36 -15.750 7.165 23.885 1.00 0.00 N ATOM 0 H HIS A 36 -15.809 1.252 22.074 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.387 2.788 24.110 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.620 3.598 21.749 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.364 3.596 21.922 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -17.319 6.028 22.845 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.782 7.429 24.675 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.205 8.047 24.119 1.00 0.00 H new ATOM 581 N GLN A 37 -17.604 2.146 24.204 1.00 0.00 N ATOM 582 CA GLN A 37 -18.791 2.219 25.052 1.00 0.00 C ATOM 583 C GLN A 37 -18.690 1.232 26.208 1.00 0.00 C ATOM 584 O GLN A 37 -19.166 1.506 27.311 1.00 0.00 O ATOM 585 CB GLN A 37 -20.040 1.907 24.221 1.00 0.00 C ATOM 586 CG GLN A 37 -20.274 3.028 23.207 1.00 0.00 C ATOM 587 CD GLN A 37 -21.469 2.687 22.321 1.00 0.00 C ATOM 588 OE1 GLN A 37 -22.158 1.697 22.560 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.751 3.452 21.301 1.00 0.00 N ATOM 0 H GLN A 37 -17.712 1.573 23.367 1.00 0.00 H new ATOM 0 HA GLN A 37 -18.862 3.228 25.459 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.917 0.955 23.704 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.907 1.806 24.873 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -20.453 3.969 23.727 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.384 3.167 22.594 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.178 4.273 21.105 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.545 3.229 20.700 1.00 0.00 H new ATOM 598 N ALA A 38 -18.065 0.085 25.955 1.00 0.00 N ATOM 599 CA ALA A 38 -17.905 -0.930 26.984 1.00 0.00 C ATOM 600 C ALA A 38 -16.866 -0.496 28.009 1.00 0.00 C ATOM 601 O ALA A 38 -15.932 0.240 27.688 1.00 0.00 O ATOM 602 CB ALA A 38 -17.471 -2.251 26.348 1.00 0.00 C ATOM 0 H ALA A 38 -17.664 -0.161 25.050 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.862 -1.063 27.488 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.353 -3.007 27.124 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.228 -2.578 25.635 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.522 -2.111 25.830 1.00 0.00 H new ATOM 608 N LYS A 39 -17.035 -0.954 29.244 1.00 0.00 N ATOM 609 CA LYS A 39 -16.106 -0.604 30.314 1.00 0.00 C ATOM 610 C LYS A 39 -16.223 -1.594 31.473 1.00 0.00 C ATOM 611 O LYS A 39 -17.256 -2.236 31.658 1.00 0.00 O ATOM 612 CB LYS A 39 -16.392 0.824 30.815 1.00 0.00 C ATOM 613 CG LYS A 39 -17.882 1.144 30.647 1.00 0.00 C ATOM 614 CD LYS A 39 -18.720 0.118 31.422 1.00 0.00 C ATOM 615 CE LYS A 39 -20.100 0.701 31.712 1.00 0.00 C ATOM 616 NZ LYS A 39 -20.939 -0.324 32.390 1.00 0.00 N ATOM 0 H LYS A 39 -17.801 -1.564 29.529 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.091 -0.649 29.918 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.107 0.916 31.863 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.791 1.542 30.257 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.092 2.150 31.012 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.151 1.125 29.591 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.816 -0.800 30.843 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.221 -0.144 32.355 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -20.008 1.586 32.342 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -20.575 1.019 30.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -21.880 0.073 32.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.037 -1.156 31.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -20.488 -0.607 33.283 1.00 0.00 H new ATOM 630 N GLY A 40 -15.158 -1.706 32.255 1.00 0.00 N ATOM 631 CA GLY A 40 -15.158 -2.611 33.397 1.00 0.00 C ATOM 632 C GLY A 40 -15.402 -4.048 32.953 1.00 0.00 C ATOM 633 O GLY A 40 -14.736 -4.551 32.049 1.00 0.00 O ATOM 0 H GLY A 40 -14.290 -1.187 32.122 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.203 -2.545 33.919 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.930 -2.309 34.105 1.00 0.00 H new ATOM 637 N ARG A 41 -16.360 -4.704 33.596 1.00 0.00 N ATOM 638 CA ARG A 41 -16.684 -6.085 33.263 1.00 0.00 C ATOM 639 C ARG A 41 -17.133 -6.193 31.809 1.00 0.00 C ATOM 640 O ARG A 41 -16.780 -7.142 31.110 1.00 0.00 O ATOM 641 CB ARG A 41 -17.794 -6.601 34.182 1.00 0.00 C ATOM 642 CG ARG A 41 -18.055 -8.084 33.893 1.00 0.00 C ATOM 643 CD ARG A 41 -19.230 -8.569 34.739 1.00 0.00 C ATOM 644 NE ARG A 41 -18.891 -8.514 36.156 1.00 0.00 N ATOM 645 CZ ARG A 41 -18.188 -9.484 36.733 1.00 0.00 C ATOM 646 NH1 ARG A 41 -17.788 -10.507 36.028 1.00 0.00 N ATOM 647 NH2 ARG A 41 -17.896 -9.412 38.002 1.00 0.00 N ATOM 0 H ARG A 41 -16.923 -4.305 34.347 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.789 -6.691 33.402 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.507 -6.469 35.225 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -18.706 -6.024 34.027 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -18.272 -8.226 32.834 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -17.165 -8.671 34.118 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -20.107 -7.951 34.544 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -19.491 -9.590 34.460 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.198 -7.718 36.714 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.015 -10.562 35.035 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.249 -11.251 36.470 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.207 -8.611 38.552 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.357 -10.156 38.444 1.00 0.00 H new ATOM 661 N ASP A 42 -17.929 -5.226 31.365 1.00 0.00 N ATOM 662 CA ASP A 42 -18.437 -5.237 29.999 1.00 0.00 C ATOM 663 C ASP A 42 -17.286 -5.218 29.003 1.00 0.00 C ATOM 664 O ASP A 42 -17.355 -5.849 27.948 1.00 0.00 O ATOM 665 CB ASP A 42 -19.334 -4.021 29.770 1.00 0.00 C ATOM 666 CG ASP A 42 -20.081 -4.165 28.449 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.913 -5.052 28.354 1.00 0.00 O ATOM 668 OD2 ASP A 42 -19.809 -3.384 27.550 1.00 0.00 O ATOM 0 H ASP A 42 -18.234 -4.431 31.926 1.00 0.00 H new ATOM 0 HA ASP A 42 -19.016 -6.149 29.850 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -20.045 -3.924 30.590 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.733 -3.112 29.760 1.00 0.00 H new ATOM 673 N GLN A 43 -16.225 -4.500 29.344 1.00 0.00 N ATOM 674 CA GLN A 43 -15.064 -4.423 28.467 1.00 0.00 C ATOM 675 C GLN A 43 -14.360 -5.772 28.385 1.00 0.00 C ATOM 676 O GLN A 43 -14.082 -6.269 27.305 1.00 0.00 O ATOM 677 CB GLN A 43 -14.083 -3.350 28.995 1.00 0.00 C ATOM 678 CG GLN A 43 -13.837 -2.287 27.920 1.00 0.00 C ATOM 679 CD GLN A 43 -12.990 -1.162 28.482 1.00 0.00 C ATOM 680 OE1 GLN A 43 -12.602 -1.197 29.648 1.00 0.00 O ATOM 681 NE2 GLN A 43 -12.675 -0.156 27.715 1.00 0.00 N ATOM 0 H GLN A 43 -16.143 -3.968 30.211 1.00 0.00 H new ATOM 0 HA GLN A 43 -15.401 -4.148 27.467 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.490 -2.884 29.892 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.140 -3.817 29.279 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.336 -2.736 27.062 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.789 -1.893 27.563 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.999 -0.131 26.748 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.105 0.606 28.082 1.00 0.00 H new ATOM 690 N ILE A 44 -14.064 -6.345 29.536 1.00 0.00 N ATOM 691 CA ILE A 44 -13.368 -7.625 29.585 1.00 0.00 C ATOM 692 C ILE A 44 -14.213 -8.710 28.924 1.00 0.00 C ATOM 693 O ILE A 44 -13.699 -9.539 28.176 1.00 0.00 O ATOM 694 CB ILE A 44 -13.084 -8.016 31.040 1.00 0.00 C ATOM 695 CG1 ILE A 44 -12.069 -7.041 31.641 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.510 -9.437 31.088 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.006 -7.242 33.157 1.00 0.00 C ATOM 0 H ILE A 44 -14.292 -5.950 30.448 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.425 -7.527 29.047 1.00 0.00 H new ATOM 0 HB ILE A 44 -14.012 -7.978 31.611 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.086 -7.205 31.200 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.354 -6.014 31.411 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.309 -9.713 32.123 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.230 -10.135 30.660 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.583 -9.475 30.516 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.283 -6.548 33.586 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.989 -7.056 33.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.701 -8.265 33.376 1.00 0.00 H new ATOM 709 N ALA A 45 -15.508 -8.702 29.209 1.00 0.00 N ATOM 710 CA ALA A 45 -16.408 -9.700 28.643 1.00 0.00 C ATOM 711 C ALA A 45 -16.252 -9.765 27.125 1.00 0.00 C ATOM 712 O ALA A 45 -16.282 -10.845 26.537 1.00 0.00 O ATOM 713 CB ALA A 45 -17.856 -9.348 28.989 1.00 0.00 C ATOM 0 H ALA A 45 -15.957 -8.022 29.823 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.155 -10.672 29.066 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.524 -10.097 28.564 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.977 -9.327 30.072 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.100 -8.368 28.578 1.00 0.00 H new ATOM 719 N ALA A 46 -16.070 -8.610 26.500 1.00 0.00 N ATOM 720 CA ALA A 46 -15.894 -8.548 25.053 1.00 0.00 C ATOM 721 C ALA A 46 -14.630 -9.291 24.640 1.00 0.00 C ATOM 722 O ALA A 46 -14.578 -9.891 23.566 1.00 0.00 O ATOM 723 CB ALA A 46 -15.831 -7.078 24.600 1.00 0.00 C ATOM 0 H ALA A 46 -16.040 -7.705 26.969 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.744 -9.029 24.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.699 -7.036 23.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.758 -6.573 24.873 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.991 -6.583 25.087 1.00 0.00 H new ATOM 729 N SER A 47 -13.605 -9.210 25.481 1.00 0.00 N ATOM 730 CA SER A 47 -12.341 -9.849 25.168 1.00 0.00 C ATOM 731 C SER A 47 -12.503 -11.359 25.063 1.00 0.00 C ATOM 732 O SER A 47 -12.172 -11.957 24.042 1.00 0.00 O ATOM 733 CB SER A 47 -11.309 -9.530 26.256 1.00 0.00 C ATOM 734 OG SER A 47 -10.044 -10.053 25.878 1.00 0.00 O ATOM 0 H SER A 47 -13.627 -8.714 26.372 1.00 0.00 H new ATOM 0 HA SER A 47 -11.999 -9.464 24.207 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.240 -8.452 26.401 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.623 -9.960 27.207 1.00 0.00 H new ATOM 0 HG SER A 47 -9.384 -9.848 26.573 1.00 0.00 H new ATOM 740 N PHE A 48 -13.022 -11.964 26.122 1.00 0.00 N ATOM 741 CA PHE A 48 -13.232 -13.406 26.141 1.00 0.00 C ATOM 742 C PHE A 48 -14.247 -13.817 25.085 1.00 0.00 C ATOM 743 O PHE A 48 -14.208 -14.934 24.577 1.00 0.00 O ATOM 744 CB PHE A 48 -13.712 -13.852 27.527 1.00 0.00 C ATOM 745 CG PHE A 48 -12.554 -13.828 28.497 1.00 0.00 C ATOM 746 CD1 PHE A 48 -11.725 -14.950 28.620 1.00 0.00 C ATOM 747 CD2 PHE A 48 -12.312 -12.690 29.273 1.00 0.00 C ATOM 748 CE1 PHE A 48 -10.651 -14.932 29.517 1.00 0.00 C ATOM 749 CE2 PHE A 48 -11.237 -12.672 30.171 1.00 0.00 C ATOM 750 CZ PHE A 48 -10.408 -13.794 30.294 1.00 0.00 C ATOM 0 H PHE A 48 -13.304 -11.482 26.976 1.00 0.00 H new ATOM 0 HA PHE A 48 -12.283 -13.892 25.917 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.506 -13.193 27.877 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.132 -14.856 27.472 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.915 -15.829 28.022 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.953 -11.826 29.180 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.010 -15.796 29.609 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.047 -11.793 30.769 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.581 -13.781 30.989 1.00 0.00 H new ATOM 760 N GLU A 49 -15.172 -12.916 24.775 1.00 0.00 N ATOM 761 CA GLU A 49 -16.206 -13.216 23.793 1.00 0.00 C ATOM 762 C GLU A 49 -15.591 -13.465 22.420 1.00 0.00 C ATOM 763 O GLU A 49 -15.713 -14.556 21.865 1.00 0.00 O ATOM 764 CB GLU A 49 -17.184 -12.040 23.703 1.00 0.00 C ATOM 765 CG GLU A 49 -18.346 -12.410 22.779 1.00 0.00 C ATOM 766 CD GLU A 49 -19.347 -11.262 22.713 1.00 0.00 C ATOM 767 OE1 GLU A 49 -19.016 -10.185 23.182 1.00 0.00 O ATOM 768 OE2 GLU A 49 -20.429 -11.477 22.192 1.00 0.00 O ATOM 0 H GLU A 49 -15.227 -11.983 25.184 1.00 0.00 H new ATOM 0 HA GLU A 49 -16.733 -14.116 24.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -17.560 -11.790 24.695 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.672 -11.156 23.324 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.970 -12.633 21.780 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -18.838 -13.312 23.143 1.00 0.00 H new ATOM 775 N LEU A 50 -14.926 -12.453 21.883 1.00 0.00 N ATOM 776 CA LEU A 50 -14.285 -12.576 20.580 1.00 0.00 C ATOM 777 C LEU A 50 -13.146 -13.579 20.627 1.00 0.00 C ATOM 778 O LEU A 50 -12.841 -14.231 19.632 1.00 0.00 O ATOM 779 CB LEU A 50 -13.771 -11.208 20.109 1.00 0.00 C ATOM 780 CG LEU A 50 -14.875 -10.470 19.347 1.00 0.00 C ATOM 781 CD1 LEU A 50 -16.092 -10.291 20.253 1.00 0.00 C ATOM 782 CD2 LEU A 50 -14.358 -9.104 18.903 1.00 0.00 C ATOM 0 H LEU A 50 -14.816 -11.541 22.326 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.027 -12.938 19.869 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.450 -10.616 20.966 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.899 -11.339 19.468 1.00 0.00 H new ATOM 0 HG LEU A 50 -15.163 -11.051 18.471 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.877 -9.765 19.709 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -16.460 -11.268 20.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.809 -9.711 21.132 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -15.143 -8.577 18.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -14.069 -8.522 19.778 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -13.493 -9.236 18.253 1.00 0.00 H new ATOM 794 N ASN A 51 -12.493 -13.671 21.779 1.00 0.00 N ATOM 795 CA ASN A 51 -11.357 -14.572 21.927 1.00 0.00 C ATOM 796 C ASN A 51 -11.641 -15.909 21.253 1.00 0.00 C ATOM 797 O ASN A 51 -10.933 -16.310 20.330 1.00 0.00 O ATOM 798 CB ASN A 51 -11.077 -14.805 23.416 1.00 0.00 C ATOM 799 CG ASN A 51 -9.887 -15.742 23.585 1.00 0.00 C ATOM 800 OD1 ASN A 51 -9.545 -16.486 22.669 1.00 0.00 O ATOM 801 ND2 ASN A 51 -9.229 -15.749 24.710 1.00 0.00 N ATOM 0 H ASN A 51 -12.727 -13.138 22.617 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.488 -14.116 21.453 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.874 -13.854 23.909 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.957 -15.232 23.897 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.430 -16.372 24.830 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.513 -15.131 25.471 1.00 0.00 H new ATOM 808 N LYS A 52 -12.682 -16.582 21.703 1.00 0.00 N ATOM 809 CA LYS A 52 -13.061 -17.863 21.121 1.00 0.00 C ATOM 810 C LYS A 52 -13.534 -17.695 19.690 1.00 0.00 C ATOM 811 O LYS A 52 -13.309 -18.560 18.847 1.00 0.00 O ATOM 812 CB LYS A 52 -14.163 -18.523 21.959 1.00 0.00 C ATOM 813 CG LYS A 52 -13.565 -19.093 23.267 1.00 0.00 C ATOM 814 CD LYS A 52 -13.620 -18.027 24.372 1.00 0.00 C ATOM 815 CE LYS A 52 -14.978 -18.089 25.075 1.00 0.00 C ATOM 816 NZ LYS A 52 -15.031 -19.311 25.923 1.00 0.00 N ATOM 0 H LYS A 52 -13.281 -16.268 22.467 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.179 -18.504 21.119 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.939 -17.794 22.192 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.636 -19.322 21.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.120 -19.979 23.576 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.534 -19.405 23.101 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.818 -18.192 25.092 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.465 -17.036 23.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.126 -17.199 25.687 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.782 -18.106 24.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.686 -19.155 26.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.362 -20.115 25.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.082 -19.518 26.294 1.00 0.00 H new ATOM 830 N LYS A 53 -14.219 -16.591 19.432 1.00 0.00 N ATOM 831 CA LYS A 53 -14.747 -16.337 18.100 1.00 0.00 C ATOM 832 C LYS A 53 -13.619 -16.254 17.080 1.00 0.00 C ATOM 833 O LYS A 53 -13.712 -16.820 15.992 1.00 0.00 O ATOM 834 CB LYS A 53 -15.535 -15.024 18.097 1.00 0.00 C ATOM 835 CG LYS A 53 -16.538 -15.022 16.939 1.00 0.00 C ATOM 836 CD LYS A 53 -17.383 -13.746 16.986 1.00 0.00 C ATOM 837 CE LYS A 53 -18.418 -13.837 18.112 1.00 0.00 C ATOM 838 NZ LYS A 53 -19.446 -12.781 17.925 1.00 0.00 N ATOM 0 H LYS A 53 -14.421 -15.864 20.119 1.00 0.00 H new ATOM 0 HA LYS A 53 -15.406 -17.162 17.827 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.060 -14.902 19.045 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.852 -14.180 18.000 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.009 -15.084 15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.183 -15.899 17.003 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.739 -12.881 17.143 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.887 -13.599 16.030 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.887 -14.821 18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.930 -13.718 19.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.149 -12.842 18.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.991 -11.846 17.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.918 -12.915 17.008 1.00 0.00 H new ATOM 852 N ILE A 54 -12.557 -15.537 17.437 1.00 0.00 N ATOM 853 CA ILE A 54 -11.425 -15.383 16.536 1.00 0.00 C ATOM 854 C ILE A 54 -10.744 -16.728 16.305 1.00 0.00 C ATOM 855 O ILE A 54 -10.463 -17.103 15.167 1.00 0.00 O ATOM 856 CB ILE A 54 -10.416 -14.395 17.137 1.00 0.00 C ATOM 857 CG1 ILE A 54 -11.030 -12.993 17.163 1.00 0.00 C ATOM 858 CG2 ILE A 54 -9.139 -14.377 16.288 1.00 0.00 C ATOM 859 CD1 ILE A 54 -10.145 -12.060 17.995 1.00 0.00 C ATOM 0 H ILE A 54 -12.459 -15.060 18.333 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.787 -15.001 15.581 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.169 -14.705 18.152 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.127 -12.609 16.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.034 -13.032 17.587 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.426 -13.674 16.719 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.700 -15.374 16.270 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.383 -14.070 15.271 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.584 -11.062 18.012 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.070 -12.441 19.013 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.150 -12.011 17.552 1.00 0.00 H new ATOM 871 N ASN A 55 -10.490 -17.451 17.389 1.00 0.00 N ATOM 872 CA ASN A 55 -9.853 -18.757 17.287 1.00 0.00 C ATOM 873 C ASN A 55 -10.756 -19.742 16.553 1.00 0.00 C ATOM 874 O ASN A 55 -10.306 -20.493 15.688 1.00 0.00 O ATOM 875 CB ASN A 55 -9.533 -19.295 18.683 1.00 0.00 C ATOM 876 CG ASN A 55 -8.655 -20.537 18.577 1.00 0.00 C ATOM 877 OD1 ASN A 55 -7.838 -20.645 17.663 1.00 0.00 O ATOM 878 ND2 ASN A 55 -8.776 -21.487 19.463 1.00 0.00 N ATOM 0 H ASN A 55 -10.713 -17.158 18.340 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.928 -18.643 16.722 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.024 -18.529 19.269 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.457 -19.537 19.209 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.193 -22.321 19.399 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.454 -21.395 20.220 1.00 0.00 H new ATOM 885 N ASP A 56 -12.037 -19.735 16.914 1.00 0.00 N ATOM 886 CA ASP A 56 -13.001 -20.634 16.291 1.00 0.00 C ATOM 887 C ASP A 56 -13.188 -20.288 14.820 1.00 0.00 C ATOM 888 O ASP A 56 -13.287 -21.173 13.971 1.00 0.00 O ATOM 889 CB ASP A 56 -14.345 -20.546 17.017 1.00 0.00 C ATOM 890 CG ASP A 56 -15.251 -21.692 16.581 1.00 0.00 C ATOM 891 OD1 ASP A 56 -14.883 -22.833 16.812 1.00 0.00 O ATOM 892 OD2 ASP A 56 -16.300 -21.414 16.023 1.00 0.00 O ATOM 0 H ASP A 56 -12.428 -19.122 17.629 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.617 -21.652 16.364 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.188 -20.586 18.095 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.823 -19.591 16.799 1.00 0.00 H new ATOM 897 N TYR A 57 -13.244 -18.992 14.527 1.00 0.00 N ATOM 898 CA TYR A 57 -13.430 -18.536 13.155 1.00 0.00 C ATOM 899 C TYR A 57 -12.305 -19.052 12.264 1.00 0.00 C ATOM 900 O TYR A 57 -12.550 -19.580 11.181 1.00 0.00 O ATOM 901 CB TYR A 57 -13.458 -17.007 13.113 1.00 0.00 C ATOM 902 CG TYR A 57 -13.560 -16.543 11.680 1.00 0.00 C ATOM 903 CD1 TYR A 57 -14.797 -16.565 11.024 1.00 0.00 C ATOM 904 CD2 TYR A 57 -12.418 -16.094 11.006 1.00 0.00 C ATOM 905 CE1 TYR A 57 -14.892 -16.136 9.695 1.00 0.00 C ATOM 906 CE2 TYR A 57 -12.513 -15.666 9.677 1.00 0.00 C ATOM 907 CZ TYR A 57 -13.750 -15.687 9.022 1.00 0.00 C ATOM 908 OH TYR A 57 -13.844 -15.265 7.711 1.00 0.00 O ATOM 0 H TYR A 57 -13.164 -18.244 15.216 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.379 -18.926 12.786 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.305 -16.633 13.689 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.556 -16.604 13.573 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.678 -16.913 11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.464 -16.078 11.512 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -15.846 -16.151 9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.632 -15.320 9.157 1.00 0.00 H new ATOM 0 HH TYR A 57 -12.960 -14.985 7.393 1.00 0.00 H new ATOM 918 N ILE A 58 -11.073 -18.898 12.730 1.00 0.00 N ATOM 919 CA ILE A 58 -9.915 -19.356 11.972 1.00 0.00 C ATOM 920 C ILE A 58 -9.956 -20.873 11.805 1.00 0.00 C ATOM 921 O ILE A 58 -9.648 -21.399 10.736 1.00 0.00 O ATOM 922 CB ILE A 58 -8.625 -18.947 12.684 1.00 0.00 C ATOM 923 CG1 ILE A 58 -8.490 -17.422 12.647 1.00 0.00 C ATOM 924 CG2 ILE A 58 -7.424 -19.577 11.973 1.00 0.00 C ATOM 925 CD1 ILE A 58 -7.382 -16.987 13.606 1.00 0.00 C ATOM 0 H ILE A 58 -10.849 -18.462 13.625 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.940 -18.892 10.986 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.656 -19.290 13.718 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.260 -17.091 11.634 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.434 -16.955 12.929 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.505 -19.284 12.482 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.519 -20.663 11.991 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.392 -19.233 10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.284 -15.902 13.581 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.631 -17.306 14.618 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.439 -17.443 13.304 1.00 0.00 H new ATOM 937 N ALA A 59 -10.317 -21.569 12.878 1.00 0.00 N ATOM 938 CA ALA A 59 -10.373 -23.026 12.846 1.00 0.00 C ATOM 939 C ALA A 59 -11.305 -23.499 11.736 1.00 0.00 C ATOM 940 O ALA A 59 -11.140 -24.596 11.201 1.00 0.00 O ATOM 941 CB ALA A 59 -10.872 -23.559 14.190 1.00 0.00 C ATOM 0 H ALA A 59 -10.573 -21.152 13.773 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.370 -23.406 12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.911 -24.648 14.158 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.192 -23.243 14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.869 -23.166 14.390 1.00 0.00 H new ATOM 947 N GLU A 60 -12.278 -22.663 11.390 1.00 0.00 N ATOM 948 CA GLU A 60 -13.223 -23.005 10.336 1.00 0.00 C ATOM 949 C GLU A 60 -12.541 -22.965 8.973 1.00 0.00 C ATOM 950 O GLU A 60 -12.777 -23.825 8.125 1.00 0.00 O ATOM 951 CB GLU A 60 -14.396 -22.022 10.346 1.00 0.00 C ATOM 952 CG GLU A 60 -15.436 -22.452 9.310 1.00 0.00 C ATOM 953 CD GLU A 60 -16.635 -21.511 9.355 1.00 0.00 C ATOM 954 OE1 GLU A 60 -16.524 -20.470 9.980 1.00 0.00 O ATOM 955 OE2 GLU A 60 -17.647 -21.847 8.763 1.00 0.00 O ATOM 0 H GLU A 60 -12.432 -21.751 11.821 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.591 -24.014 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.848 -21.990 11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.042 -21.015 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.994 -22.444 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.758 -23.474 9.508 1.00 0.00 H new ATOM 962 N HIS A 61 -11.695 -21.959 8.765 1.00 0.00 N ATOM 963 CA HIS A 61 -10.982 -21.810 7.495 1.00 0.00 C ATOM 964 C HIS A 61 -9.538 -21.383 7.739 1.00 0.00 C ATOM 965 O HIS A 61 -9.144 -20.270 7.395 1.00 0.00 O ATOM 966 CB HIS A 61 -11.686 -20.774 6.622 1.00 0.00 C ATOM 967 CG HIS A 61 -12.993 -21.338 6.133 1.00 0.00 C ATOM 968 ND1 HIS A 61 -14.205 -20.717 6.384 1.00 0.00 N ATOM 969 CD2 HIS A 61 -13.292 -22.464 5.405 1.00 0.00 C ATOM 970 CE1 HIS A 61 -15.170 -21.465 5.817 1.00 0.00 C ATOM 971 NE2 HIS A 61 -14.667 -22.542 5.208 1.00 0.00 N ATOM 0 H HIS A 61 -11.486 -21.237 9.455 1.00 0.00 H new ATOM 0 HA HIS A 61 -10.980 -22.772 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.861 -19.861 7.191 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -11.054 -20.505 5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.570 -23.180 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -16.222 -21.224 5.850 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -15.181 -23.266 4.706 1.00 0.00 H new ATOM 979 N PRO A 62 -8.752 -22.241 8.334 1.00 0.00 N ATOM 980 CA PRO A 62 -7.321 -21.952 8.639 1.00 0.00 C ATOM 981 C PRO A 62 -6.453 -21.972 7.384 1.00 0.00 C ATOM 982 O PRO A 62 -5.292 -21.563 7.416 1.00 0.00 O ATOM 983 CB PRO A 62 -6.922 -23.067 9.615 1.00 0.00 C ATOM 984 CG PRO A 62 -7.848 -24.205 9.313 1.00 0.00 C ATOM 985 CD PRO A 62 -9.144 -23.591 8.777 1.00 0.00 C ATOM 0 HA PRO A 62 -7.181 -20.955 9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.881 -23.359 9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.025 -22.740 10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.406 -24.878 8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.041 -24.794 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.551 -24.177 7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.913 -23.549 9.548 1.00 0.00 H new ATOM 993 N THR A 63 -7.016 -22.463 6.290 1.00 0.00 N ATOM 994 CA THR A 63 -6.277 -22.544 5.035 1.00 0.00 C ATOM 995 C THR A 63 -6.038 -21.147 4.470 1.00 0.00 C ATOM 996 O THR A 63 -5.082 -20.925 3.729 1.00 0.00 O ATOM 997 CB THR A 63 -7.064 -23.382 4.018 1.00 0.00 C ATOM 998 OG1 THR A 63 -6.794 -22.910 2.706 1.00 0.00 O ATOM 999 CG2 THR A 63 -8.565 -23.261 4.302 1.00 0.00 C ATOM 0 H THR A 63 -7.974 -22.809 6.243 1.00 0.00 H new ATOM 0 HA THR A 63 -5.315 -23.018 5.227 1.00 0.00 H new ATOM 0 HB THR A 63 -6.762 -24.426 4.101 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.295 -23.446 2.056 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.121 -23.857 3.579 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.775 -23.623 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.868 -22.217 4.221 1.00 0.00 H new ATOM 1007 N SER A 64 -6.912 -20.212 4.827 1.00 0.00 N ATOM 1008 CA SER A 64 -6.780 -18.840 4.350 1.00 0.00 C ATOM 1009 C SER A 64 -5.683 -18.111 5.119 1.00 0.00 C ATOM 1010 O SER A 64 -5.670 -18.108 6.350 1.00 0.00 O ATOM 1011 CB SER A 64 -8.106 -18.100 4.523 1.00 0.00 C ATOM 1012 OG SER A 64 -7.917 -16.722 4.230 1.00 0.00 O ATOM 0 H SER A 64 -7.712 -20.376 5.439 1.00 0.00 H new ATOM 0 HA SER A 64 -6.513 -18.864 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.861 -18.524 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.472 -18.220 5.543 1.00 0.00 H new ATOM 0 HG SER A 64 -8.766 -16.245 4.339 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.768 -17.489 4.385 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.672 -16.752 5.006 1.00 0.00 C ATOM 1020 C GLY A 65 -4.186 -15.501 5.711 1.00 0.00 C ATOM 1021 O GLY A 65 -3.661 -15.101 6.750 1.00 0.00 O ATOM 0 H GLY A 65 -4.762 -17.479 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.158 -17.393 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.941 -16.472 4.247 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.208 -14.881 5.133 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.779 -13.669 5.709 1.00 0.00 C ATOM 1027 C ARG A 66 -6.389 -13.959 7.072 1.00 0.00 C ATOM 1028 O ARG A 66 -6.319 -13.129 7.980 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.855 -13.112 4.773 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.233 -12.756 3.414 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.522 -11.402 3.500 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.040 -11.006 2.185 1.00 0.00 N ATOM 1033 CZ ARG A 66 -3.839 -11.378 1.752 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -3.074 -12.120 2.509 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -3.427 -11.004 0.574 1.00 0.00 N ATOM 0 H ARG A 66 -5.656 -15.194 4.272 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.983 -12.934 5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.648 -13.847 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.312 -12.227 5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.525 -13.529 3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.008 -12.721 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.206 -10.647 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.687 -11.464 4.198 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.634 -10.433 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.399 -12.413 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.153 -12.406 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.026 -10.426 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.506 -11.289 0.242 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.986 -15.133 7.208 1.00 0.00 N ATOM 1050 CA ASN A 67 -7.610 -15.522 8.466 1.00 0.00 C ATOM 1051 C ASN A 67 -6.573 -15.555 9.584 1.00 0.00 C ATOM 1052 O ASN A 67 -6.902 -15.373 10.753 1.00 0.00 O ATOM 1053 CB ASN A 67 -8.265 -16.900 8.325 1.00 0.00 C ATOM 1054 CG ASN A 67 -9.594 -16.774 7.585 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -10.105 -15.669 7.407 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -10.190 -17.847 7.147 1.00 0.00 N ATOM 0 H ASN A 67 -7.052 -15.831 6.467 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.375 -14.787 8.716 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.601 -17.574 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.428 -17.337 9.310 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.081 -17.771 6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.766 -18.763 7.295 1.00 0.00 H new ATOM 1063 N GLN A 68 -5.322 -15.798 9.220 1.00 0.00 N ATOM 1064 CA GLN A 68 -4.250 -15.855 10.206 1.00 0.00 C ATOM 1065 C GLN A 68 -3.989 -14.469 10.793 1.00 0.00 C ATOM 1066 O GLN A 68 -3.456 -14.337 11.894 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.970 -16.385 9.554 1.00 0.00 C ATOM 1068 CG GLN A 68 -1.918 -16.669 10.630 1.00 0.00 C ATOM 1069 CD GLN A 68 -2.370 -17.836 11.502 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -2.975 -18.785 11.003 1.00 0.00 O ATOM 1071 NE2 GLN A 68 -2.114 -17.822 12.781 1.00 0.00 N ATOM 0 H GLN A 68 -5.025 -15.958 8.257 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.554 -16.526 11.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.186 -17.295 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.586 -15.656 8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.961 -16.902 10.163 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.765 -15.782 11.245 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -1.613 -17.035 13.192 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.415 -18.598 13.370 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.362 -13.436 10.047 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.153 -12.065 10.502 1.00 0.00 C ATOM 1082 C ALA A 69 -5.130 -11.711 11.616 1.00 0.00 C ATOM 1083 O ALA A 69 -4.869 -10.822 12.424 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.333 -11.097 9.330 1.00 0.00 C ATOM 0 H ALA A 69 -4.807 -13.519 9.133 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.138 -11.981 10.891 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.176 -10.075 9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.609 -11.332 8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.342 -11.194 8.930 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.256 -12.411 11.653 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.267 -12.160 12.676 1.00 0.00 C ATOM 1092 C LEU A 70 -6.714 -12.456 14.060 1.00 0.00 C ATOM 1093 O LEU A 70 -6.954 -11.705 15.005 1.00 0.00 O ATOM 1094 CB LEU A 70 -8.499 -13.036 12.408 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.357 -12.395 11.306 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -10.030 -11.113 11.835 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -8.465 -12.052 10.098 1.00 0.00 C ATOM 0 H LEU A 70 -6.493 -13.152 10.993 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.552 -11.109 12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.188 -14.036 12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.085 -13.147 13.321 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.131 -13.099 11.001 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.635 -10.667 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.667 -11.360 12.685 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.265 -10.403 12.149 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.072 -11.597 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.688 -11.353 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.003 -12.963 9.716 1.00 0.00 H new ATOM 1109 N THR A 71 -5.972 -13.549 14.171 1.00 0.00 N ATOM 1110 CA THR A 71 -5.388 -13.932 15.448 1.00 0.00 C ATOM 1111 C THR A 71 -4.647 -12.754 16.068 1.00 0.00 C ATOM 1112 O THR A 71 -4.428 -12.714 17.279 1.00 0.00 O ATOM 1113 CB THR A 71 -4.417 -15.098 15.248 1.00 0.00 C ATOM 1114 OG1 THR A 71 -5.064 -16.135 14.527 1.00 0.00 O ATOM 1115 CG2 THR A 71 -3.958 -15.624 16.608 1.00 0.00 C ATOM 0 H THR A 71 -5.762 -14.181 13.399 1.00 0.00 H new ATOM 0 HA THR A 71 -6.191 -14.238 16.119 1.00 0.00 H new ATOM 0 HB THR A 71 -3.549 -14.754 14.685 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.442 -16.881 14.397 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.267 -16.454 16.463 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.457 -14.826 17.156 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.823 -15.967 17.176 1.00 0.00 H new ATOM 1123 N GLN A 72 -4.259 -11.798 15.231 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.538 -10.629 15.714 1.00 0.00 C ATOM 1125 C GLN A 72 -4.394 -9.833 16.692 1.00 0.00 C ATOM 1126 O GLN A 72 -3.912 -9.396 17.734 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.148 -9.732 14.533 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.304 -8.557 15.031 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.981 -9.066 15.595 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.454 -8.499 16.553 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.414 -10.111 15.058 1.00 0.00 N ATOM 0 H GLN A 72 -4.430 -11.809 14.225 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.640 -10.970 16.229 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.587 -10.308 13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.044 -9.362 14.034 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.116 -7.861 14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.848 -8.007 15.799 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.853 -10.578 14.265 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.468 -10.461 15.431 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.661 -9.645 16.348 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.569 -8.890 17.204 1.00 0.00 C ATOM 1142 C LEU A 73 -6.723 -9.579 18.551 1.00 0.00 C ATOM 1143 O LEU A 73 -6.777 -8.917 19.583 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.943 -8.764 16.525 1.00 0.00 C ATOM 1145 CG LEU A 73 -7.917 -7.611 15.520 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -6.842 -7.875 14.466 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -9.282 -7.499 14.843 1.00 0.00 C ATOM 0 H LEU A 73 -6.082 -10.001 15.490 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.153 -7.895 17.364 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.196 -9.695 16.018 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.715 -8.589 17.274 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.691 -6.680 16.039 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.824 -7.053 13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.869 -7.955 14.951 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.065 -8.806 13.944 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.266 -6.678 14.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.508 -8.430 14.323 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.047 -7.309 15.596 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.804 -10.905 18.531 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.971 -11.662 19.766 1.00 0.00 C ATOM 1161 C LYS A 74 -5.869 -11.318 20.765 1.00 0.00 C ATOM 1162 O LYS A 74 -6.149 -10.919 21.896 1.00 0.00 O ATOM 1163 CB LYS A 74 -6.913 -13.158 19.459 1.00 0.00 C ATOM 1164 CG LYS A 74 -7.253 -13.951 20.723 1.00 0.00 C ATOM 1165 CD LYS A 74 -7.271 -15.453 20.402 1.00 0.00 C ATOM 1166 CE LYS A 74 -5.837 -15.991 20.350 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.867 -17.475 20.284 1.00 0.00 N ATOM 0 H LYS A 74 -6.757 -11.472 17.684 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.937 -11.403 20.201 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.615 -13.404 18.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.919 -13.429 19.103 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.519 -13.744 21.502 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.224 -13.640 21.109 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.843 -15.989 21.159 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.768 -15.624 19.447 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.317 -15.588 19.481 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.283 -15.667 21.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.894 -17.841 20.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.348 -17.850 21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.380 -17.774 19.431 1.00 0.00 H new ATOM 1181 N GLU A 75 -4.620 -11.461 20.339 1.00 0.00 N ATOM 1182 CA GLU A 75 -3.488 -11.149 21.203 1.00 0.00 C ATOM 1183 C GLU A 75 -3.421 -9.652 21.483 1.00 0.00 C ATOM 1184 O GLU A 75 -2.864 -9.222 22.489 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.185 -11.613 20.550 1.00 0.00 C ATOM 1186 CG GLU A 75 -2.068 -10.997 19.155 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.727 -11.369 18.532 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.314 -12.505 18.697 1.00 0.00 O ATOM 1189 OE2 GLU A 75 -0.132 -10.511 17.902 1.00 0.00 O ATOM 0 H GLU A 75 -4.366 -11.789 19.407 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.623 -11.674 22.148 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.333 -11.318 21.163 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.167 -12.701 20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.883 -11.350 18.523 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.161 -9.913 19.218 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.977 -8.861 20.576 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.963 -7.412 20.734 1.00 0.00 C ATOM 1198 C GLN A 76 -4.816 -6.993 21.928 1.00 0.00 C ATOM 1199 O GLN A 76 -4.527 -5.997 22.589 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.491 -6.740 19.461 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.065 -5.271 19.435 1.00 0.00 C ATOM 1202 CD GLN A 76 -2.553 -5.169 19.264 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -2.000 -5.700 18.302 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -1.849 -4.519 20.149 1.00 0.00 N ATOM 0 H GLN A 76 -4.440 -9.193 19.730 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.935 -7.095 20.910 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.107 -7.255 18.581 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.578 -6.814 19.424 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.567 -4.753 18.618 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.369 -4.779 20.359 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.311 -4.080 20.945 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.837 -4.450 20.045 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.879 -7.748 22.185 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.771 -7.434 23.288 1.00 0.00 C ATOM 1215 C VAL A 77 -6.014 -7.420 24.609 1.00 0.00 C ATOM 1216 O VAL A 77 -6.180 -6.508 25.417 1.00 0.00 O ATOM 1217 CB VAL A 77 -7.897 -8.477 23.357 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.989 -7.993 24.319 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.494 -8.689 21.954 1.00 0.00 C ATOM 0 H VAL A 77 -6.140 -8.575 21.648 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.194 -6.444 23.117 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.492 -9.422 23.720 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.787 -8.734 24.366 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.563 -7.854 25.313 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.394 -7.046 23.962 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.292 -9.429 22.006 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.897 -7.746 21.584 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.716 -9.042 21.277 1.00 0.00 H new ATOM 1229 N THR A 78 -5.181 -8.429 24.822 1.00 0.00 N ATOM 1230 CA THR A 78 -4.401 -8.515 26.052 1.00 0.00 C ATOM 1231 C THR A 78 -3.618 -7.226 26.275 1.00 0.00 C ATOM 1232 O THR A 78 -3.517 -6.736 27.400 1.00 0.00 O ATOM 1233 CB THR A 78 -3.438 -9.700 25.978 1.00 0.00 C ATOM 1234 OG1 THR A 78 -2.717 -9.648 24.758 1.00 0.00 O ATOM 1235 CG2 THR A 78 -4.226 -11.006 26.055 1.00 0.00 C ATOM 0 H THR A 78 -5.027 -9.195 24.166 1.00 0.00 H new ATOM 0 HA THR A 78 -5.085 -8.660 26.889 1.00 0.00 H new ATOM 0 HB THR A 78 -2.739 -9.653 26.813 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.323 -9.836 24.011 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.538 -11.850 26.002 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.776 -11.044 26.995 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.928 -11.057 25.222 1.00 0.00 H new ATOM 1243 N SER A 79 -3.077 -6.672 25.195 1.00 0.00 N ATOM 1244 CA SER A 79 -2.318 -5.429 25.282 1.00 0.00 C ATOM 1245 C SER A 79 -3.231 -4.284 25.715 1.00 0.00 C ATOM 1246 O SER A 79 -2.827 -3.413 26.485 1.00 0.00 O ATOM 1247 CB SER A 79 -1.688 -5.104 23.930 1.00 0.00 C ATOM 1248 OG SER A 79 -0.964 -6.236 23.467 1.00 0.00 O ATOM 0 H SER A 79 -3.149 -7.061 24.255 1.00 0.00 H new ATOM 0 HA SER A 79 -1.528 -5.553 26.023 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.461 -4.833 23.211 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.023 -4.245 24.022 1.00 0.00 H new ATOM 0 HG SER A 79 -0.559 -6.032 22.598 1.00 0.00 H new ATOM 1254 N ALA A 80 -4.465 -4.293 25.214 1.00 0.00 N ATOM 1255 CA ALA A 80 -5.425 -3.250 25.558 1.00 0.00 C ATOM 1256 C ALA A 80 -5.651 -3.214 27.066 1.00 0.00 C ATOM 1257 O ALA A 80 -5.557 -2.157 27.691 1.00 0.00 O ATOM 1258 CB ALA A 80 -6.756 -3.511 24.843 1.00 0.00 C ATOM 0 H ALA A 80 -4.820 -5.004 24.575 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.025 -2.288 25.238 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.469 -2.729 25.104 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.596 -3.511 23.765 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.151 -4.479 25.151 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.947 -4.374 27.645 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.177 -4.459 29.082 1.00 0.00 C ATOM 1266 C LEU A 81 -4.884 -4.228 29.852 1.00 0.00 C ATOM 1267 O LEU A 81 -4.899 -3.695 30.962 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.738 -5.838 29.432 1.00 0.00 C ATOM 1269 CG LEU A 81 -8.093 -6.030 28.741 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.517 -7.499 28.847 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -9.156 -5.144 29.409 1.00 0.00 C ATOM 0 H LEU A 81 -6.032 -5.260 27.146 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.892 -3.686 29.363 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.043 -6.616 29.116 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.852 -5.932 30.512 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.000 -5.748 27.692 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.480 -7.636 28.356 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.770 -8.129 28.364 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.602 -7.778 29.897 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.115 -5.288 28.911 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.249 -5.417 30.460 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.860 -4.098 29.330 1.00 0.00 H new ATOM 1283 N GLY A 82 -3.768 -4.634 29.256 1.00 0.00 N ATOM 1284 CA GLY A 82 -2.468 -4.466 29.897 1.00 0.00 C ATOM 1285 C GLY A 82 -2.508 -4.957 31.341 1.00 0.00 C ATOM 1286 O GLY A 82 -1.863 -4.386 32.219 1.00 0.00 O ATOM 0 H GLY A 82 -3.736 -5.078 28.338 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.710 -5.018 29.341 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.179 -3.415 29.873 1.00 0.00 H new ATOM 1290 N LEU A 83 -3.274 -6.016 31.582 1.00 0.00 N ATOM 1291 CA LEU A 83 -3.391 -6.570 32.927 1.00 0.00 C ATOM 1292 C LEU A 83 -2.117 -7.303 33.318 1.00 0.00 C ATOM 1293 O LEU A 83 -1.759 -7.356 34.494 1.00 0.00 O ATOM 1294 CB LEU A 83 -4.584 -7.523 32.992 1.00 0.00 C ATOM 1295 CG LEU A 83 -4.318 -8.753 32.095 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -3.894 -9.946 32.961 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.588 -9.115 31.323 1.00 0.00 C ATOM 0 H LEU A 83 -3.819 -6.504 30.871 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.546 -5.751 33.629 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -4.752 -7.841 34.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.489 -7.011 32.665 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.521 -8.513 31.392 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.708 -10.810 32.324 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.984 -9.695 33.506 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.688 -10.182 33.669 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.395 -9.983 30.692 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.387 -9.348 32.026 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.887 -8.272 30.700 1.00 0.00 H new ATOM 1309 N GLU A 84 -1.436 -7.879 32.327 1.00 0.00 N ATOM 1310 CA GLU A 84 -0.195 -8.615 32.574 1.00 0.00 C ATOM 1311 C GLU A 84 0.921 -8.083 31.684 1.00 0.00 C ATOM 1312 O GLU A 84 0.736 -7.903 30.481 1.00 0.00 O ATOM 1313 CB GLU A 84 -0.406 -10.106 32.305 1.00 0.00 C ATOM 1314 CG GLU A 84 0.886 -10.867 32.606 1.00 0.00 C ATOM 1315 CD GLU A 84 0.662 -12.363 32.435 1.00 0.00 C ATOM 1316 OE1 GLU A 84 -0.487 -12.768 32.377 1.00 0.00 O ATOM 1317 OE2 GLU A 84 1.645 -13.083 32.363 1.00 0.00 O ATOM 0 H GLU A 84 -1.721 -7.851 31.348 1.00 0.00 H new ATOM 0 HA GLU A 84 0.089 -8.477 33.617 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.218 -10.487 32.925 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.698 -10.261 31.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.679 -10.531 31.938 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.214 -10.654 33.623 1.00 0.00 H new ATOM 1324 N HIS A 85 2.080 -7.842 32.285 1.00 0.00 N ATOM 1325 CA HIS A 85 3.225 -7.337 31.536 1.00 0.00 C ATOM 1326 C HIS A 85 3.680 -8.363 30.503 1.00 0.00 C ATOM 1327 O HIS A 85 3.966 -8.019 29.357 1.00 0.00 O ATOM 1328 CB HIS A 85 4.379 -7.028 32.491 1.00 0.00 C ATOM 1329 CG HIS A 85 5.510 -6.401 31.724 1.00 0.00 C ATOM 1330 ND1 HIS A 85 6.651 -7.108 31.379 1.00 0.00 N ATOM 1331 CD2 HIS A 85 5.691 -5.133 31.229 1.00 0.00 C ATOM 1332 CE1 HIS A 85 7.460 -6.269 30.706 1.00 0.00 C ATOM 1333 NE2 HIS A 85 6.924 -5.052 30.587 1.00 0.00 N ATOM 0 H HIS A 85 2.252 -7.986 33.280 1.00 0.00 H new ATOM 0 HA HIS A 85 2.926 -6.424 31.021 1.00 0.00 H new ATOM 0 HB2 HIS A 85 4.042 -6.354 33.279 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.718 -7.943 32.977 1.00 0.00 H new ATOM 0 HD2 HIS A 85 4.984 -4.322 31.323 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.426 -6.547 30.310 1.00 0.00 H new ATOM 0 HE2 HIS A 85 7.330 -4.238 30.125 1.00 0.00 H new ATOM 1341 N HIS A 86 3.744 -9.625 30.916 1.00 0.00 N ATOM 1342 CA HIS A 86 4.165 -10.698 30.018 1.00 0.00 C ATOM 1343 C HIS A 86 2.975 -11.232 29.228 1.00 0.00 C ATOM 1344 O HIS A 86 1.823 -10.951 29.557 1.00 0.00 O ATOM 1345 CB HIS A 86 4.798 -11.834 30.822 1.00 0.00 C ATOM 1346 CG HIS A 86 6.056 -11.340 31.481 1.00 0.00 C ATOM 1347 ND1 HIS A 86 6.053 -10.764 32.742 1.00 0.00 N ATOM 1348 CD2 HIS A 86 7.366 -11.331 31.069 1.00 0.00 C ATOM 1349 CE1 HIS A 86 7.323 -10.434 33.041 1.00 0.00 C ATOM 1350 NE2 HIS A 86 8.164 -10.758 32.055 1.00 0.00 N ATOM 0 H HIS A 86 3.511 -9.930 31.861 1.00 0.00 H new ATOM 0 HA HIS A 86 4.899 -10.296 29.320 1.00 0.00 H new ATOM 0 HB2 HIS A 86 4.098 -12.195 31.575 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.024 -12.676 30.167 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.723 -11.711 30.123 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.625 -9.964 33.965 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.174 -10.616 32.030 1.00 0.00 H new ATOM 1358 N HIS A 87 3.263 -12.001 28.184 1.00 0.00 N ATOM 1359 CA HIS A 87 2.207 -12.569 27.353 1.00 0.00 C ATOM 1360 C HIS A 87 1.567 -13.769 28.043 1.00 0.00 C ATOM 1361 O HIS A 87 2.189 -14.421 28.881 1.00 0.00 O ATOM 1362 CB HIS A 87 2.782 -13.003 26.002 1.00 0.00 C ATOM 1363 CG HIS A 87 3.778 -14.111 26.214 1.00 0.00 C ATOM 1364 ND1 HIS A 87 5.086 -13.865 26.602 1.00 0.00 N ATOM 1365 CD2 HIS A 87 3.672 -15.474 26.095 1.00 0.00 C ATOM 1366 CE1 HIS A 87 5.709 -15.053 26.702 1.00 0.00 C ATOM 1367 NE2 HIS A 87 4.893 -16.068 26.403 1.00 0.00 N ATOM 0 H HIS A 87 4.210 -12.244 27.894 1.00 0.00 H new ATOM 0 HA HIS A 87 1.445 -11.806 27.196 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.980 -13.341 25.345 1.00 0.00 H new ATOM 0 HB3 HIS A 87 3.262 -12.157 25.510 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.777 -16.005 25.806 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.743 -15.172 26.989 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.116 -17.063 26.401 1.00 0.00 H new ATOM 1375 N HIS A 88 0.319 -14.054 27.685 1.00 0.00 N ATOM 1376 CA HIS A 88 -0.398 -15.179 28.276 1.00 0.00 C ATOM 1377 C HIS A 88 0.080 -16.494 27.670 1.00 0.00 C ATOM 1378 O HIS A 88 0.334 -16.580 26.469 1.00 0.00 O ATOM 1379 CB HIS A 88 -1.901 -15.023 28.040 1.00 0.00 C ATOM 1380 CG HIS A 88 -2.425 -13.885 28.872 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -2.392 -12.571 28.432 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -2.994 -13.849 30.121 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -2.928 -11.806 29.401 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -3.312 -12.534 30.452 1.00 0.00 N ATOM 0 H HIS A 88 -0.214 -13.526 26.994 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.199 -15.191 29.348 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.096 -14.835 26.984 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.418 -15.946 28.301 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -2.028 -12.244 27.537 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.168 -14.709 30.751 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.035 -10.733 29.336 1.00 0.00 H new ATOM 1392 N HIS A 89 0.201 -17.518 28.509 1.00 0.00 N ATOM 1393 CA HIS A 89 0.648 -18.826 28.046 1.00 0.00 C ATOM 1394 C HIS A 89 -0.468 -19.537 27.288 1.00 0.00 C ATOM 1395 O HIS A 89 -1.649 -19.332 27.569 1.00 0.00 O ATOM 1396 CB HIS A 89 1.087 -19.680 29.236 1.00 0.00 C ATOM 1397 CG HIS A 89 -0.104 -19.978 30.106 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -1.083 -20.886 29.732 1.00 0.00 N ATOM 1399 CD2 HIS A 89 -0.488 -19.495 31.332 1.00 0.00 C ATOM 1400 CE1 HIS A 89 -2.000 -20.921 30.717 1.00 0.00 C ATOM 1401 NE2 HIS A 89 -1.686 -20.092 31.716 1.00 0.00 N ATOM 0 H HIS A 89 -0.003 -17.468 29.507 1.00 0.00 H new ATOM 0 HA HIS A 89 1.493 -18.683 27.373 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.536 -20.609 28.885 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.849 -19.156 29.812 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.056 -18.763 31.911 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -2.882 -21.544 30.701 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.211 -19.931 32.576 1.00 0.00 H new ATOM 1409 N HIS A 90 -0.086 -20.373 26.328 1.00 0.00 N ATOM 1410 CA HIS A 90 -1.064 -21.111 25.538 1.00 0.00 C ATOM 1411 C HIS A 90 -2.081 -20.156 24.919 1.00 0.00 C ATOM 1412 O HIS A 90 -1.852 -19.721 23.802 1.00 0.00 O ATOM 1413 CB HIS A 90 -1.789 -22.129 26.420 1.00 0.00 C ATOM 1414 CG HIS A 90 -2.811 -22.866 25.600 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -2.458 -23.843 24.683 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -4.181 -22.780 25.547 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -3.591 -24.304 24.122 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -4.671 -23.689 24.613 1.00 0.00 N ATOM 1419 OXT HIS A 90 -3.074 -19.876 25.569 1.00 0.00 O ATOM 0 H HIS A 90 0.886 -20.555 26.080 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.538 -21.634 24.739 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -1.073 -22.832 26.846 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -2.274 -21.623 27.255 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.786 -22.110 26.139 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.623 -25.076 23.368 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -5.645 -23.851 24.358 1.00 0.00 H new TER 1427 HIS A 90