USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -0.821 K(o=-0.8,f=-2) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0242 USER MOD Set 2.1: A 65 ASN : amide:sc= 0.277 X(o=0.64,f=0.29) USER MOD Set 2.2: A 72 SER OG : rot 134:sc= 0.364 USER MOD Set 3.1: A 51 THR OG1 : rot 166:sc= -0.0722 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0.0176 USER MOD Set 4.1: A 24 SER OG : rot -29:sc= 1.2 USER MOD Set 4.2: A 27 ASN : amide:sc= -2.77! C(o=-1.6!,f=-6.6!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -159:sc= -0.0503 (180deg=-0.332) USER MOD Single : A 12 MET CE :methyl -153:sc= -11! (180deg=-13.3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.759 K(o=-0.76,f=-0.15) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= -0.0842 (180deg=-0.507) USER MOD Single : A 36 SER OG : rot -93:sc= -1.84! USER MOD Single : A 37 ASN : amide:sc= -0.0307 K(o=-0.031,f=-1.6!) USER MOD Single : A 39 ASN : amide:sc= -2.2! X(o=-2.2!,f=-2.6) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00756 USER MOD Single : A 44 ASN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.638 USER MOD Single : A 57 GLN : amide:sc= -2.18! C(o=-2.2!,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -5.41! C(o=-5.4!,f=-8.1!) USER MOD Single : A 60 SER OG : rot -111:sc= 0.446! USER MOD Single : A 69 THR OG1 : rot 72:sc= 0.507 USER MOD Single : A 74 ASN : amide:sc= -4.27! K(o=-4.3!,f=-3.3) USER MOD Single : A 77 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.1!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -1.06 USER MOD Single : A 91 SER OG : rot -160:sc= -1.82 USER MOD Single : A 93 ASN : amide:sc= 0.0398 X(o=0.04,f=-0.17) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.034) USER MOD Single : A 100 SER OG : rot 180:sc= -0.348 USER MOD Single : A 103 ASN : amide:sc= -2.01! C(o=-2!,f=-1.8!) USER MOD Single : A 105 MET CE :methyl -132:sc= -0.369 (180deg=-2.69) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 113 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.27) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.089 -10.580 1.951 1.00 0.00 N ATOM 2 CA LYS A 1 -6.175 -10.928 0.832 1.00 0.00 C ATOM 3 C LYS A 1 -5.065 -9.891 0.683 1.00 0.00 C ATOM 4 O LYS A 1 -5.135 -9.013 -0.176 1.00 0.00 O ATOM 5 CB LYS A 1 -6.993 -11.016 -0.457 1.00 0.00 C ATOM 6 CG LYS A 1 -6.919 -12.375 -1.133 1.00 0.00 C ATOM 7 CD LYS A 1 -5.761 -12.446 -2.116 1.00 0.00 C ATOM 8 CE LYS A 1 -5.351 -13.884 -2.390 1.00 0.00 C ATOM 9 NZ LYS A 1 -4.709 -14.514 -1.204 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.833 -11.302 2.029 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.550 -10.541 2.840 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.524 -9.653 1.769 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.701 -11.887 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.035 -10.787 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.642 -10.254 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.805 -13.153 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.854 -12.574 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.046 -11.963 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.910 -11.893 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.228 -14.463 -2.678 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.661 -13.910 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.138 -15.327 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -4.097 -13.819 -0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -5.443 -14.836 -0.542 1.00 0.00 H new ATOM 25 N VAL A 2 -4.048 -9.996 1.530 1.00 0.00 N ATOM 26 CA VAL A 2 -2.922 -9.067 1.500 1.00 0.00 C ATOM 27 C VAL A 2 -1.692 -9.713 0.869 1.00 0.00 C ATOM 28 O VAL A 2 -1.376 -10.868 1.155 1.00 0.00 O ATOM 29 CB VAL A 2 -2.556 -8.592 2.925 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.266 -7.790 2.919 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.682 -7.769 3.526 1.00 0.00 C ATOM 0 H VAL A 2 -3.979 -10.717 2.248 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.231 -8.212 0.899 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.406 -9.479 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.033 -7.469 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.454 -8.410 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.384 -6.915 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.402 -7.446 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.867 -6.895 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.587 -8.375 3.580 1.00 0.00 H new ATOM 41 N PHE A 3 -0.975 -8.954 0.040 1.00 0.00 N ATOM 42 CA PHE A 3 0.241 -9.453 -0.584 1.00 0.00 C ATOM 43 C PHE A 3 1.361 -9.506 0.442 1.00 0.00 C ATOM 44 O PHE A 3 1.240 -8.961 1.539 1.00 0.00 O ATOM 45 CB PHE A 3 0.686 -8.537 -1.727 1.00 0.00 C ATOM 46 CG PHE A 3 -0.195 -8.560 -2.938 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.532 -9.753 -3.552 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.670 -7.376 -3.473 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.329 -9.764 -4.678 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.468 -7.380 -4.595 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.799 -8.574 -5.201 1.00 0.00 C ATOM 0 H PHE A 3 -1.218 -7.996 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 3 0.030 -10.448 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.738 -7.514 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.696 -8.819 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.168 -10.685 -3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.412 -6.437 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.585 -10.701 -5.150 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.835 -6.449 -5.000 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.424 -8.579 -6.082 1.00 0.00 H new ATOM 61 N GLY A 4 2.462 -10.139 0.070 1.00 0.00 N ATOM 62 CA GLY A 4 3.601 -10.222 0.959 1.00 0.00 C ATOM 63 C GLY A 4 4.548 -9.059 0.743 1.00 0.00 C ATOM 64 O GLY A 4 4.135 -8.001 0.267 1.00 0.00 O ATOM 0 H GLY A 4 2.587 -10.597 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.259 -10.229 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.129 -11.161 0.792 1.00 0.00 H new ATOM 68 N ARG A 5 5.817 -9.246 1.080 1.00 0.00 N ATOM 69 CA ARG A 5 6.807 -8.191 0.900 1.00 0.00 C ATOM 70 C ARG A 5 7.454 -8.289 -0.470 1.00 0.00 C ATOM 71 O ARG A 5 7.425 -7.334 -1.246 1.00 0.00 O ATOM 72 CB ARG A 5 7.872 -8.253 1.998 1.00 0.00 C ATOM 73 CG ARG A 5 8.315 -9.666 2.340 1.00 0.00 C ATOM 74 CD ARG A 5 9.036 -9.714 3.678 1.00 0.00 C ATOM 75 NE ARG A 5 8.736 -10.937 4.417 1.00 0.00 N ATOM 76 CZ ARG A 5 7.997 -10.970 5.522 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.482 -9.850 6.013 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.771 -12.123 6.135 1.00 0.00 N ATOM 0 H ARG A 5 6.184 -10.111 1.477 1.00 0.00 H new ATOM 0 HA ARG A 5 6.294 -7.232 0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.741 -7.676 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.482 -7.776 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.446 -10.324 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.973 -10.042 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.111 -9.644 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.749 -8.849 4.276 1.00 0.00 H new ATOM 0 HE ARG A 5 9.115 -11.816 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.653 -8.961 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.915 -9.878 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.164 -12.986 5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.204 -12.147 6.983 1.00 0.00 H new ATOM 92 N CYS A 6 8.031 -9.442 -0.772 1.00 0.00 N ATOM 93 CA CYS A 6 8.671 -9.635 -2.060 1.00 0.00 C ATOM 94 C CYS A 6 7.666 -10.095 -3.100 1.00 0.00 C ATOM 95 O CYS A 6 7.758 -9.708 -4.256 1.00 0.00 O ATOM 96 CB CYS A 6 9.812 -10.633 -1.966 1.00 0.00 C ATOM 97 SG CYS A 6 10.796 -10.500 -0.440 1.00 0.00 S ATOM 0 H CYS A 6 8.069 -10.249 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 6 9.080 -8.673 -2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.404 -11.642 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.471 -10.496 -2.823 1.00 0.00 H new ATOM 102 N GLU A 7 6.699 -10.908 -2.689 1.00 0.00 N ATOM 103 CA GLU A 7 5.680 -11.380 -3.619 1.00 0.00 C ATOM 104 C GLU A 7 5.171 -10.198 -4.430 1.00 0.00 C ATOM 105 O GLU A 7 5.167 -10.217 -5.664 1.00 0.00 O ATOM 106 CB GLU A 7 4.526 -12.046 -2.865 1.00 0.00 C ATOM 107 CG GLU A 7 4.583 -13.565 -2.887 1.00 0.00 C ATOM 108 CD GLU A 7 3.252 -14.202 -2.533 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.258 -13.933 -3.240 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.205 -14.969 -1.548 1.00 0.00 O ATOM 0 H GLU A 7 6.599 -11.250 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 7 6.115 -12.124 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.534 -11.705 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.582 -11.720 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.890 -13.899 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.344 -13.907 -2.185 1.00 0.00 H new ATOM 117 N LEU A 8 4.775 -9.154 -3.714 1.00 0.00 N ATOM 118 CA LEU A 8 4.295 -7.936 -4.337 1.00 0.00 C ATOM 119 C LEU A 8 5.416 -7.262 -5.123 1.00 0.00 C ATOM 120 O LEU A 8 5.185 -6.766 -6.222 1.00 0.00 O ATOM 121 CB LEU A 8 3.745 -6.978 -3.271 1.00 0.00 C ATOM 122 CG LEU A 8 3.170 -5.648 -3.786 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.260 -4.592 -3.881 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.485 -5.829 -5.134 1.00 0.00 C ATOM 0 H LEU A 8 4.779 -9.131 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 8 3.492 -8.192 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.964 -7.496 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.545 -6.755 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 8 2.421 -5.310 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.832 -3.659 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.696 -4.429 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.035 -4.930 -4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.089 -4.872 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.206 -6.200 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.669 -6.545 -5.034 1.00 0.00 H new ATOM 136 N ALA A 9 6.632 -7.247 -4.559 1.00 0.00 N ATOM 137 CA ALA A 9 7.769 -6.618 -5.230 1.00 0.00 C ATOM 138 C ALA A 9 8.071 -7.286 -6.564 1.00 0.00 C ATOM 139 O ALA A 9 8.153 -6.617 -7.592 1.00 0.00 O ATOM 140 CB ALA A 9 8.998 -6.631 -4.340 1.00 0.00 C ATOM 0 H ALA A 9 6.848 -7.659 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 9 7.496 -5.582 -5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.830 -6.158 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.787 -6.084 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.261 -7.661 -4.097 1.00 0.00 H new ATOM 146 N ALA A 10 8.228 -8.606 -6.550 1.00 0.00 N ATOM 147 CA ALA A 10 8.502 -9.349 -7.768 1.00 0.00 C ATOM 148 C ALA A 10 7.490 -8.967 -8.833 1.00 0.00 C ATOM 149 O ALA A 10 7.828 -8.833 -10.010 1.00 0.00 O ATOM 150 CB ALA A 10 8.464 -10.846 -7.502 1.00 0.00 C ATOM 0 H ALA A 10 8.170 -9.179 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 10 9.502 -9.098 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.672 -11.385 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.216 -11.102 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.477 -11.125 -7.133 1.00 0.00 H new ATOM 156 N ALA A 11 6.245 -8.772 -8.404 1.00 0.00 N ATOM 157 CA ALA A 11 5.188 -8.380 -9.321 1.00 0.00 C ATOM 158 C ALA A 11 5.470 -7.003 -9.883 1.00 0.00 C ATOM 159 O ALA A 11 5.207 -6.719 -11.052 1.00 0.00 O ATOM 160 CB ALA A 11 3.833 -8.422 -8.632 1.00 0.00 C ATOM 0 H ALA A 11 5.949 -8.879 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 11 5.162 -9.090 -10.148 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.057 -8.125 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.635 -9.434 -8.280 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.835 -7.737 -7.784 1.00 0.00 H new ATOM 166 N MET A 12 6.019 -6.166 -9.033 1.00 0.00 N ATOM 167 CA MET A 12 6.372 -4.799 -9.414 1.00 0.00 C ATOM 168 C MET A 12 7.404 -4.812 -10.531 1.00 0.00 C ATOM 169 O MET A 12 7.239 -4.146 -11.553 1.00 0.00 O ATOM 170 CB MET A 12 6.940 -4.026 -8.226 1.00 0.00 C ATOM 171 CG MET A 12 6.175 -4.233 -6.934 1.00 0.00 C ATOM 172 SD MET A 12 4.592 -3.375 -6.927 1.00 0.00 S ATOM 173 CE MET A 12 5.119 -1.729 -7.381 1.00 0.00 C ATOM 0 H MET A 12 6.236 -6.401 -8.064 1.00 0.00 H new ATOM 0 HA MET A 12 5.461 -4.307 -9.756 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.977 -4.324 -8.074 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.946 -2.963 -8.467 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.008 -5.299 -6.781 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.779 -3.882 -6.097 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.418 -0.998 -6.977 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.113 -1.541 -6.976 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.147 -1.643 -8.467 1.00 0.00 H new ATOM 183 N LYS A 13 8.472 -5.581 -10.324 1.00 0.00 N ATOM 184 CA LYS A 13 9.538 -5.692 -11.310 1.00 0.00 C ATOM 185 C LYS A 13 8.951 -6.014 -12.674 1.00 0.00 C ATOM 186 O LYS A 13 9.263 -5.358 -13.669 1.00 0.00 O ATOM 187 CB LYS A 13 10.538 -6.773 -10.898 1.00 0.00 C ATOM 188 CG LYS A 13 11.912 -6.602 -11.523 1.00 0.00 C ATOM 189 CD LYS A 13 12.712 -7.895 -11.476 1.00 0.00 C ATOM 190 CE LYS A 13 13.934 -7.826 -12.376 1.00 0.00 C ATOM 191 NZ LYS A 13 15.008 -6.977 -11.791 1.00 0.00 N ATOM 0 H LYS A 13 8.619 -6.136 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 13 10.063 -4.739 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.639 -6.768 -9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.140 -7.749 -11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.804 -6.277 -12.558 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.456 -5.817 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.024 -8.094 -10.451 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.079 -8.727 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.318 -8.832 -12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.646 -7.428 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.824 -6.956 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.650 -6.010 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.301 -7.371 -10.874 1.00 0.00 H new ATOM 205 N ARG A 14 8.090 -7.022 -12.707 1.00 0.00 N ATOM 206 CA ARG A 14 7.443 -7.428 -13.943 1.00 0.00 C ATOM 207 C ARG A 14 6.595 -6.285 -14.483 1.00 0.00 C ATOM 208 O ARG A 14 6.500 -6.090 -15.695 1.00 0.00 O ATOM 209 CB ARG A 14 6.573 -8.664 -13.710 1.00 0.00 C ATOM 210 CG ARG A 14 6.126 -9.344 -14.995 1.00 0.00 C ATOM 211 CD ARG A 14 5.587 -10.741 -14.727 1.00 0.00 C ATOM 212 NE ARG A 14 4.507 -10.732 -13.745 1.00 0.00 N ATOM 213 CZ ARG A 14 3.249 -10.412 -14.035 1.00 0.00 C ATOM 214 NH1 ARG A 14 2.914 -10.075 -15.273 1.00 0.00 N ATOM 215 NH2 ARG A 14 2.324 -10.428 -13.084 1.00 0.00 N ATOM 0 H ARG A 14 7.825 -7.573 -11.890 1.00 0.00 H new ATOM 0 HA ARG A 14 8.211 -7.679 -14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.128 -9.380 -13.104 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.692 -8.375 -13.136 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.356 -8.742 -15.478 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.965 -9.403 -15.688 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.226 -11.175 -15.659 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.396 -11.379 -14.371 1.00 0.00 H new ATOM 0 HE ARG A 14 4.730 -10.985 -12.782 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.622 -10.061 -16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.948 -9.830 -15.491 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.578 -10.686 -12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.359 -10.183 -13.307 1.00 0.00 H new ATOM 229 N HIS A 15 5.956 -5.549 -13.575 1.00 0.00 N ATOM 230 CA HIS A 15 5.090 -4.445 -13.961 1.00 0.00 C ATOM 231 C HIS A 15 5.887 -3.208 -14.361 1.00 0.00 C ATOM 232 O HIS A 15 5.309 -2.224 -14.822 1.00 0.00 O ATOM 233 CB HIS A 15 4.145 -4.096 -12.810 1.00 0.00 C ATOM 234 CG HIS A 15 2.850 -4.847 -12.846 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.193 -5.271 -11.710 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.084 -5.245 -13.891 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.083 -5.898 -12.052 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.992 -5.895 -13.369 1.00 0.00 N ATOM 0 H HIS A 15 6.024 -5.700 -12.569 1.00 0.00 H new ATOM 0 HA HIS A 15 4.515 -4.768 -14.829 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.647 -4.300 -11.864 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.936 -3.027 -12.835 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.515 -5.123 -10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.293 -5.082 -14.938 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.370 -6.339 -11.370 1.00 0.00 H new ATOM 247 N GLY A 16 7.213 -3.266 -14.244 1.00 0.00 N ATOM 248 CA GLY A 16 8.039 -2.150 -14.661 1.00 0.00 C ATOM 249 C GLY A 16 8.069 -0.964 -13.714 1.00 0.00 C ATOM 250 O GLY A 16 8.338 0.152 -14.158 1.00 0.00 O ATOM 0 H GLY A 16 7.726 -4.064 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.059 -2.508 -14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.689 -1.806 -15.634 1.00 0.00 H new ATOM 254 N LEU A 17 7.803 -1.158 -12.420 1.00 0.00 N ATOM 255 CA LEU A 17 7.832 -0.022 -11.503 1.00 0.00 C ATOM 256 C LEU A 17 9.213 0.154 -10.901 1.00 0.00 C ATOM 257 O LEU A 17 9.465 1.095 -10.152 1.00 0.00 O ATOM 258 CB LEU A 17 6.789 -0.163 -10.392 1.00 0.00 C ATOM 259 CG LEU A 17 5.435 -0.753 -10.803 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.323 -0.149 -9.962 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.145 -0.525 -12.281 1.00 0.00 C ATOM 0 H LEU A 17 7.573 -2.057 -11.997 1.00 0.00 H new ATOM 0 HA LEU A 17 7.586 0.866 -12.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.210 -0.788 -9.605 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.616 0.822 -9.958 1.00 0.00 H new ATOM 0 HG LEU A 17 5.480 -1.828 -10.631 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.366 -0.576 -10.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.503 -0.368 -8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.301 0.931 -10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.177 -0.958 -12.533 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.129 0.545 -12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.921 -0.999 -12.881 1.00 0.00 H new ATOM 273 N ASP A 18 10.104 -0.751 -11.245 1.00 0.00 N ATOM 274 CA ASP A 18 11.471 -0.694 -10.745 1.00 0.00 C ATOM 275 C ASP A 18 12.253 0.417 -11.443 1.00 0.00 C ATOM 276 O ASP A 18 12.788 0.233 -12.538 1.00 0.00 O ATOM 277 CB ASP A 18 12.168 -2.047 -10.917 1.00 0.00 C ATOM 278 CG ASP A 18 13.675 -1.921 -11.036 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.314 -1.485 -10.055 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.216 -2.258 -12.110 1.00 0.00 O ATOM 0 H ASP A 18 9.912 -1.536 -11.868 1.00 0.00 H new ATOM 0 HA ASP A 18 11.438 -0.466 -9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.927 -2.685 -10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.778 -2.541 -11.807 1.00 0.00 H new ATOM 285 N ASN A 19 12.300 1.572 -10.789 1.00 0.00 N ATOM 286 CA ASN A 19 13.001 2.746 -11.303 1.00 0.00 C ATOM 287 C ASN A 19 12.368 3.249 -12.582 1.00 0.00 C ATOM 288 O ASN A 19 13.043 3.782 -13.462 1.00 0.00 O ATOM 289 CB ASN A 19 14.486 2.443 -11.523 1.00 0.00 C ATOM 290 CG ASN A 19 15.385 3.544 -10.995 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.416 4.649 -11.536 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.122 3.246 -9.931 1.00 0.00 N ATOM 0 H ASN A 19 11.852 1.722 -9.885 1.00 0.00 H new ATOM 0 HA ASN A 19 12.917 3.533 -10.554 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.739 1.504 -11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.672 2.305 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.746 3.947 -9.530 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.064 2.317 -9.515 1.00 0.00 H new ATOM 299 N TYR A 20 11.057 3.106 -12.658 1.00 0.00 N ATOM 300 CA TYR A 20 10.321 3.580 -13.813 1.00 0.00 C ATOM 301 C TYR A 20 10.410 5.091 -13.820 1.00 0.00 C ATOM 302 O TYR A 20 10.884 5.664 -12.840 1.00 0.00 O ATOM 303 CB TYR A 20 8.860 3.127 -13.739 1.00 0.00 C ATOM 304 CG TYR A 20 8.048 3.462 -14.970 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.295 2.832 -16.184 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.034 4.410 -14.918 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.553 3.136 -17.309 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.288 4.720 -16.039 1.00 0.00 C ATOM 309 CZ TYR A 20 6.551 4.081 -17.231 1.00 0.00 C ATOM 310 OH TYR A 20 5.811 4.387 -18.350 1.00 0.00 O ATOM 0 H TYR A 20 10.484 2.668 -11.937 1.00 0.00 H new ATOM 0 HA TYR A 20 10.744 3.170 -14.730 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.832 2.049 -13.581 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.391 3.589 -12.870 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.080 2.093 -16.249 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.825 4.913 -13.986 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.756 2.636 -18.245 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.503 5.459 -15.981 1.00 0.00 H new ATOM 0 HH TYR A 20 5.146 5.071 -18.125 1.00 0.00 H new ATOM 320 N ARG A 21 9.995 5.731 -14.914 1.00 0.00 N ATOM 321 CA ARG A 21 10.054 7.187 -15.017 1.00 0.00 C ATOM 322 C ARG A 21 10.013 7.817 -13.629 1.00 0.00 C ATOM 323 O ARG A 21 10.705 8.796 -13.351 1.00 0.00 O ATOM 324 CB ARG A 21 8.892 7.710 -15.866 1.00 0.00 C ATOM 325 CG ARG A 21 9.338 8.465 -17.108 1.00 0.00 C ATOM 326 CD ARG A 21 8.501 8.087 -18.319 1.00 0.00 C ATOM 327 NE ARG A 21 8.848 6.765 -18.833 1.00 0.00 N ATOM 328 CZ ARG A 21 8.750 6.423 -20.115 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.318 7.303 -21.009 1.00 0.00 N ATOM 330 NH2 ARG A 21 9.085 5.200 -20.504 1.00 0.00 N ATOM 0 H ARG A 21 9.616 5.265 -15.738 1.00 0.00 H new ATOM 0 HA ARG A 21 10.991 7.462 -15.501 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.266 6.870 -16.167 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.273 8.366 -15.255 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.260 9.538 -16.931 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.388 8.250 -17.308 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.445 8.106 -18.050 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.643 8.830 -19.104 1.00 0.00 H new ATOM 0 HE ARG A 21 9.184 6.065 -18.172 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.060 8.245 -20.714 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.244 7.038 -21.991 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.418 4.521 -19.820 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.009 4.939 -21.487 1.00 0.00 H new ATOM 344 N GLY A 22 9.197 7.223 -12.762 1.00 0.00 N ATOM 345 CA GLY A 22 9.066 7.699 -11.404 1.00 0.00 C ATOM 346 C GLY A 22 10.209 7.243 -10.516 1.00 0.00 C ATOM 347 O GLY A 22 11.291 7.830 -10.543 1.00 0.00 O ATOM 0 H GLY A 22 8.620 6.412 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.024 8.788 -11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.123 7.345 -10.988 1.00 0.00 H new ATOM 351 N TYR A 23 9.963 6.217 -9.699 1.00 0.00 N ATOM 352 CA TYR A 23 10.991 5.736 -8.782 1.00 0.00 C ATOM 353 C TYR A 23 11.223 4.233 -8.843 1.00 0.00 C ATOM 354 O TYR A 23 10.591 3.513 -9.618 1.00 0.00 O ATOM 355 CB TYR A 23 10.650 6.153 -7.353 1.00 0.00 C ATOM 356 CG TYR A 23 10.946 7.608 -7.062 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.205 8.618 -7.660 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.968 7.970 -6.194 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.472 9.948 -7.403 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.241 9.298 -5.930 1.00 0.00 C ATOM 361 CZ TYR A 23 11.491 10.283 -6.538 1.00 0.00 C ATOM 362 OH TYR A 23 11.761 11.607 -6.277 1.00 0.00 O ATOM 0 H TYR A 23 9.077 5.713 -9.655 1.00 0.00 H new ATOM 0 HA TYR A 23 11.924 6.199 -9.103 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.593 5.962 -7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.212 5.530 -6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.405 8.359 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.558 7.201 -5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.886 10.721 -7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.038 9.564 -5.251 1.00 0.00 H new ATOM 0 HH TYR A 23 12.508 11.670 -5.646 1.00 0.00 H new ATOM 372 N SER A 24 12.172 3.785 -8.017 1.00 0.00 N ATOM 373 CA SER A 24 12.562 2.384 -7.949 1.00 0.00 C ATOM 374 C SER A 24 11.636 1.565 -7.061 1.00 0.00 C ATOM 375 O SER A 24 10.850 2.105 -6.283 1.00 0.00 O ATOM 376 CB SER A 24 13.999 2.266 -7.440 1.00 0.00 C ATOM 377 OG SER A 24 14.084 2.605 -6.066 1.00 0.00 O ATOM 0 H SER A 24 12.689 4.388 -7.378 1.00 0.00 H new ATOM 0 HA SER A 24 12.488 1.981 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.358 1.248 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.648 2.922 -8.020 1.00 0.00 H new ATOM 0 HG SER A 24 13.384 3.254 -5.845 1.00 0.00 H new ATOM 383 N LEU A 25 11.755 0.250 -7.201 1.00 0.00 N ATOM 384 CA LEU A 25 10.963 -0.707 -6.443 1.00 0.00 C ATOM 385 C LEU A 25 10.806 -0.302 -4.978 1.00 0.00 C ATOM 386 O LEU A 25 9.688 -0.188 -4.479 1.00 0.00 O ATOM 387 CB LEU A 25 11.622 -2.082 -6.537 1.00 0.00 C ATOM 388 CG LEU A 25 10.943 -3.052 -7.494 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.958 -4.024 -8.074 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.830 -3.800 -6.781 1.00 0.00 C ATOM 0 H LEU A 25 12.411 -0.185 -7.850 1.00 0.00 H new ATOM 0 HA LEU A 25 9.962 -0.733 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.658 -1.952 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.642 -2.529 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 25 10.506 -2.485 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.456 -4.710 -8.756 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.724 -3.470 -8.616 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.423 -4.590 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.352 -4.490 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.246 -4.359 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.092 -3.088 -6.412 1.00 0.00 H new ATOM 402 N GLY A 26 11.931 -0.109 -4.291 1.00 0.00 N ATOM 403 CA GLY A 26 11.901 0.259 -2.882 1.00 0.00 C ATOM 404 C GLY A 26 10.855 1.308 -2.549 1.00 0.00 C ATOM 405 O GLY A 26 10.218 1.242 -1.497 1.00 0.00 O ATOM 0 H GLY A 26 12.867 -0.201 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.711 -0.634 -2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.883 0.632 -2.592 1.00 0.00 H new ATOM 409 N ASN A 27 10.680 2.279 -3.437 1.00 0.00 N ATOM 410 CA ASN A 27 9.706 3.347 -3.220 1.00 0.00 C ATOM 411 C ASN A 27 8.277 2.816 -3.311 1.00 0.00 C ATOM 412 O ASN A 27 7.389 3.264 -2.586 1.00 0.00 O ATOM 413 CB ASN A 27 9.918 4.466 -4.239 1.00 0.00 C ATOM 414 CG ASN A 27 11.379 4.841 -4.385 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.078 4.333 -5.261 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.850 5.732 -3.521 1.00 0.00 N ATOM 0 H ASN A 27 11.198 2.351 -4.313 1.00 0.00 H new ATOM 0 HA ASN A 27 9.856 3.744 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.527 4.152 -5.207 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.348 5.344 -3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.827 6.021 -3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.235 6.128 -2.810 1.00 0.00 H new ATOM 423 N TRP A 28 8.069 1.856 -4.204 1.00 0.00 N ATOM 424 CA TRP A 28 6.755 1.251 -4.399 1.00 0.00 C ATOM 425 C TRP A 28 6.381 0.344 -3.239 1.00 0.00 C ATOM 426 O TRP A 28 5.234 0.346 -2.789 1.00 0.00 O ATOM 427 CB TRP A 28 6.738 0.459 -5.695 1.00 0.00 C ATOM 428 CG TRP A 28 6.984 1.322 -6.881 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.168 1.504 -7.519 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.025 2.136 -7.560 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.015 2.394 -8.548 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.704 2.793 -8.601 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.659 2.371 -7.386 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.064 3.673 -9.468 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.019 3.242 -8.245 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.721 3.885 -9.277 1.00 0.00 C ATOM 0 H TRP A 28 8.798 1.477 -4.809 1.00 0.00 H new ATOM 0 HA TRP A 28 6.021 2.055 -4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.497 -0.322 -5.652 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.774 -0.038 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.095 1.018 -7.254 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.756 2.709 -9.174 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.113 1.880 -6.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.603 4.170 -10.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.963 3.431 -8.121 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.194 4.560 -9.934 1.00 0.00 H new ATOM 447 N VAL A 29 7.339 -0.441 -2.761 1.00 0.00 N ATOM 448 CA VAL A 29 7.093 -1.360 -1.663 1.00 0.00 C ATOM 449 C VAL A 29 6.825 -0.620 -0.363 1.00 0.00 C ATOM 450 O VAL A 29 5.848 -0.899 0.324 1.00 0.00 O ATOM 451 CB VAL A 29 8.289 -2.311 -1.466 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.063 -3.234 -0.277 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.544 -3.109 -2.736 1.00 0.00 C ATOM 0 H VAL A 29 8.294 -0.457 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 29 6.207 -1.938 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 29 9.174 -1.711 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.922 -3.895 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.938 -2.638 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.167 -3.831 -0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.392 -3.777 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.659 -3.697 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.764 -2.426 -3.557 1.00 0.00 H new ATOM 463 N CYS A 30 7.703 0.310 -0.022 1.00 0.00 N ATOM 464 CA CYS A 30 7.554 1.072 1.206 1.00 0.00 C ATOM 465 C CYS A 30 6.250 1.865 1.211 1.00 0.00 C ATOM 466 O CYS A 30 5.532 1.884 2.213 1.00 0.00 O ATOM 467 CB CYS A 30 8.741 2.011 1.399 1.00 0.00 C ATOM 468 SG CYS A 30 8.742 2.868 3.004 1.00 0.00 S ATOM 0 H CYS A 30 8.523 0.554 -0.577 1.00 0.00 H new ATOM 0 HA CYS A 30 7.524 0.365 2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.664 1.440 1.301 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.739 2.753 0.601 1.00 0.00 H new ATOM 473 N ALA A 31 5.945 2.525 0.094 1.00 0.00 N ATOM 474 CA ALA A 31 4.728 3.319 -0.009 1.00 0.00 C ATOM 475 C ALA A 31 3.484 2.450 0.122 1.00 0.00 C ATOM 476 O ALA A 31 2.553 2.792 0.850 1.00 0.00 O ATOM 477 CB ALA A 31 4.703 4.072 -1.331 1.00 0.00 C ATOM 0 H ALA A 31 6.523 2.524 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 31 4.725 4.035 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.789 4.662 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.567 4.734 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.735 3.360 -2.156 1.00 0.00 H new ATOM 483 N ALA A 32 3.472 1.328 -0.590 1.00 0.00 N ATOM 484 CA ALA A 32 2.337 0.413 -0.561 1.00 0.00 C ATOM 485 C ALA A 32 2.202 -0.279 0.792 1.00 0.00 C ATOM 486 O ALA A 32 1.106 -0.362 1.348 1.00 0.00 O ATOM 487 CB ALA A 32 2.466 -0.619 -1.670 1.00 0.00 C ATOM 0 H ALA A 32 4.237 1.030 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 32 1.434 1.002 -0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.613 -1.296 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.492 -0.114 -2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.386 -1.188 -1.533 1.00 0.00 H new ATOM 493 N LYS A 33 3.316 -0.789 1.309 1.00 0.00 N ATOM 494 CA LYS A 33 3.327 -1.492 2.588 1.00 0.00 C ATOM 495 C LYS A 33 2.605 -0.705 3.672 1.00 0.00 C ATOM 496 O LYS A 33 1.682 -1.208 4.302 1.00 0.00 O ATOM 497 CB LYS A 33 4.767 -1.763 3.028 1.00 0.00 C ATOM 498 CG LYS A 33 4.871 -2.544 4.328 1.00 0.00 C ATOM 499 CD LYS A 33 6.113 -2.156 5.113 1.00 0.00 C ATOM 500 CE LYS A 33 6.540 -3.264 6.063 1.00 0.00 C ATOM 501 NZ LYS A 33 6.995 -4.479 5.332 1.00 0.00 N ATOM 0 H LYS A 33 4.229 -0.728 0.858 1.00 0.00 H new ATOM 0 HA LYS A 33 2.800 -2.435 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.281 -2.315 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.288 -0.812 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.984 -2.362 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.895 -3.612 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.927 -1.934 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.917 -1.245 5.679 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.345 -2.903 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.706 -3.524 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.648 -5.021 5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.172 -5.069 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.483 -4.196 4.458 1.00 0.00 H new ATOM 515 N PHE A 34 3.044 0.522 3.904 1.00 0.00 N ATOM 516 CA PHE A 34 2.434 1.347 4.937 1.00 0.00 C ATOM 517 C PHE A 34 1.087 1.899 4.508 1.00 0.00 C ATOM 518 O PHE A 34 0.271 2.283 5.346 1.00 0.00 O ATOM 519 CB PHE A 34 3.366 2.473 5.336 1.00 0.00 C ATOM 520 CG PHE A 34 4.273 2.128 6.484 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.825 2.224 7.790 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.573 1.710 6.252 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.657 1.908 8.848 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.411 1.392 7.305 1.00 0.00 C ATOM 525 CZ PHE A 34 5.952 1.491 8.605 1.00 0.00 C ATOM 0 H PHE A 34 3.811 0.965 3.398 1.00 0.00 H new ATOM 0 HA PHE A 34 2.260 0.706 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.974 2.752 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.772 3.347 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.814 2.550 7.985 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.936 1.632 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.296 1.987 9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.423 1.067 7.112 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.604 1.243 9.429 1.00 0.00 H new ATOM 535 N GLU A 35 0.853 1.947 3.206 1.00 0.00 N ATOM 536 CA GLU A 35 -0.397 2.462 2.674 1.00 0.00 C ATOM 537 C GLU A 35 -1.582 1.579 3.043 1.00 0.00 C ATOM 538 O GLU A 35 -2.583 2.054 3.582 1.00 0.00 O ATOM 539 CB GLU A 35 -0.300 2.548 1.152 1.00 0.00 C ATOM 540 CG GLU A 35 -0.303 3.967 0.614 1.00 0.00 C ATOM 541 CD GLU A 35 0.283 4.051 -0.779 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.410 3.656 -1.738 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.439 4.505 -0.911 1.00 0.00 O ATOM 0 H GLU A 35 1.516 1.634 2.497 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.561 3.448 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.613 2.049 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.135 2.002 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.325 4.346 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.267 4.610 1.285 1.00 0.00 H new ATOM 550 N SER A 36 -1.483 0.304 2.693 1.00 0.00 N ATOM 551 CA SER A 36 -2.572 -0.641 2.928 1.00 0.00 C ATOM 552 C SER A 36 -2.094 -1.925 3.597 1.00 0.00 C ATOM 553 O SER A 36 -2.851 -2.891 3.697 1.00 0.00 O ATOM 554 CB SER A 36 -3.225 -0.989 1.586 1.00 0.00 C ATOM 555 OG SER A 36 -2.243 -1.313 0.619 1.00 0.00 O ATOM 0 H SER A 36 -0.661 -0.102 2.245 1.00 0.00 H new ATOM 0 HA SER A 36 -3.285 -0.165 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.906 -1.830 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.822 -0.146 1.237 1.00 0.00 H new ATOM 0 HG SER A 36 -2.013 -0.511 0.105 1.00 0.00 H new ATOM 561 N ASN A 37 -0.841 -1.948 4.027 1.00 0.00 N ATOM 562 CA ASN A 37 -0.284 -3.144 4.651 1.00 0.00 C ATOM 563 C ASN A 37 -0.329 -4.289 3.648 1.00 0.00 C ATOM 564 O ASN A 37 -0.408 -5.456 4.019 1.00 0.00 O ATOM 565 CB ASN A 37 -1.063 -3.511 5.917 1.00 0.00 C ATOM 566 CG ASN A 37 -0.811 -2.541 7.054 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.736 -1.329 6.846 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.676 -3.069 8.265 1.00 0.00 N ATOM 0 H ASN A 37 -0.195 -1.162 3.958 1.00 0.00 H new ATOM 0 HA ASN A 37 0.749 -2.951 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.129 -3.532 5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.784 -4.516 6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.503 -2.465 9.068 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.745 -4.079 8.392 1.00 0.00 H new ATOM 575 N PHE A 38 -0.273 -3.911 2.372 1.00 0.00 N ATOM 576 CA PHE A 38 -0.299 -4.829 1.245 1.00 0.00 C ATOM 577 C PHE A 38 -1.674 -5.451 1.068 1.00 0.00 C ATOM 578 O PHE A 38 -1.822 -6.472 0.405 1.00 0.00 O ATOM 579 CB PHE A 38 0.793 -5.894 1.372 1.00 0.00 C ATOM 580 CG PHE A 38 2.171 -5.332 1.172 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.457 -4.556 0.058 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.176 -5.564 2.096 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.717 -4.026 -0.131 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.439 -5.035 1.912 1.00 0.00 C ATOM 585 CZ PHE A 38 4.710 -4.265 0.797 1.00 0.00 C ATOM 0 H PHE A 38 -0.207 -2.933 2.091 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.088 -4.253 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.732 -6.356 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.615 -6.681 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.683 -4.364 -0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.970 -6.165 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.926 -3.425 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.215 -5.223 2.640 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.697 -3.851 0.652 1.00 0.00 H new ATOM 595 N ASN A 39 -2.690 -4.803 1.629 1.00 0.00 N ATOM 596 CA ASN A 39 -4.057 -5.285 1.495 1.00 0.00 C ATOM 597 C ASN A 39 -4.627 -4.828 0.163 1.00 0.00 C ATOM 598 O ASN A 39 -4.848 -3.637 -0.057 1.00 0.00 O ATOM 599 CB ASN A 39 -4.923 -4.790 2.653 1.00 0.00 C ATOM 600 CG ASN A 39 -6.287 -5.453 2.686 1.00 0.00 C ATOM 601 OD1 ASN A 39 -7.261 -4.871 3.163 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.365 -6.680 2.181 1.00 0.00 N ATOM 0 H ASN A 39 -2.592 -3.948 2.177 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.054 -6.375 1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.408 -4.980 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.050 -3.710 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.257 -7.175 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.533 -7.127 1.795 1.00 0.00 H new ATOM 609 N THR A 40 -4.829 -5.782 -0.733 1.00 0.00 N ATOM 610 CA THR A 40 -5.336 -5.491 -2.062 1.00 0.00 C ATOM 611 C THR A 40 -6.787 -5.059 -1.984 1.00 0.00 C ATOM 612 O THR A 40 -7.355 -4.538 -2.943 1.00 0.00 O ATOM 613 CB THR A 40 -5.217 -6.725 -2.977 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.421 -7.498 -2.922 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.042 -7.596 -2.558 1.00 0.00 C ATOM 0 H THR A 40 -4.648 -6.771 -0.560 1.00 0.00 H new ATOM 0 HA THR A 40 -4.737 -4.683 -2.483 1.00 0.00 H new ATOM 0 HB THR A 40 -5.053 -6.375 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.335 -8.279 -3.508 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.977 -8.461 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.120 -7.019 -2.624 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.186 -7.932 -1.531 1.00 0.00 H new ATOM 623 N GLN A 41 -7.375 -5.304 -0.826 1.00 0.00 N ATOM 624 CA GLN A 41 -8.763 -4.977 -0.578 1.00 0.00 C ATOM 625 C GLN A 41 -8.908 -3.842 0.437 1.00 0.00 C ATOM 626 O GLN A 41 -10.019 -3.502 0.844 1.00 0.00 O ATOM 627 CB GLN A 41 -9.469 -6.228 -0.070 1.00 0.00 C ATOM 628 CG GLN A 41 -10.112 -7.059 -1.168 1.00 0.00 C ATOM 629 CD GLN A 41 -11.490 -6.552 -1.551 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.631 -5.466 -2.113 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.515 -7.340 -1.247 1.00 0.00 N ATOM 0 H GLN A 41 -6.901 -5.736 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.215 -4.633 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.750 -6.847 0.467 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.236 -5.935 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.469 -7.052 -2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.189 -8.095 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.352 -8.232 -0.781 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.466 -7.053 -1.480 1.00 0.00 H new ATOM 640 N ALA A 42 -7.781 -3.272 0.855 1.00 0.00 N ATOM 641 CA ALA A 42 -7.786 -2.192 1.836 1.00 0.00 C ATOM 642 C ALA A 42 -8.419 -0.914 1.301 1.00 0.00 C ATOM 643 O ALA A 42 -8.089 -0.441 0.211 1.00 0.00 O ATOM 644 CB ALA A 42 -6.373 -1.900 2.310 1.00 0.00 C ATOM 0 H ALA A 42 -6.853 -3.541 0.529 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.395 -2.534 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.394 -1.092 3.041 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.951 -2.794 2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.758 -1.604 1.460 1.00 0.00 H new ATOM 650 N THR A 43 -9.317 -0.352 2.102 1.00 0.00 N ATOM 651 CA THR A 43 -10.004 0.887 1.763 1.00 0.00 C ATOM 652 C THR A 43 -9.744 1.929 2.849 1.00 0.00 C ATOM 653 O THR A 43 -9.835 1.622 4.038 1.00 0.00 O ATOM 654 CB THR A 43 -11.523 0.671 1.628 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.161 0.850 2.899 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.829 -0.722 1.096 1.00 0.00 C ATOM 0 H THR A 43 -9.589 -0.743 3.004 1.00 0.00 H new ATOM 0 HA THR A 43 -9.618 1.233 0.804 1.00 0.00 H new ATOM 0 HB THR A 43 -11.908 1.406 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.126 0.712 2.803 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.908 -0.850 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.369 -0.846 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.429 -1.469 1.781 1.00 0.00 H new ATOM 664 N ASN A 44 -9.413 3.155 2.451 1.00 0.00 N ATOM 665 CA ASN A 44 -9.137 4.213 3.419 1.00 0.00 C ATOM 666 C ASN A 44 -9.985 5.450 3.144 1.00 0.00 C ATOM 667 O ASN A 44 -9.703 6.216 2.221 1.00 0.00 O ATOM 668 CB ASN A 44 -7.653 4.583 3.390 1.00 0.00 C ATOM 669 CG ASN A 44 -7.091 4.827 4.778 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.142 4.166 5.200 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.676 5.779 5.493 1.00 0.00 N ATOM 0 H ASN A 44 -9.330 3.439 1.475 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.395 3.836 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.091 3.782 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.516 5.478 2.783 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.342 5.989 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.460 6.301 5.102 1.00 0.00 H new ATOM 678 N ARG A 45 -11.023 5.640 3.952 1.00 0.00 N ATOM 679 CA ARG A 45 -11.914 6.785 3.798 1.00 0.00 C ATOM 680 C ARG A 45 -11.309 8.037 4.426 1.00 0.00 C ATOM 681 O ARG A 45 -10.933 8.036 5.598 1.00 0.00 O ATOM 682 CB ARG A 45 -13.274 6.490 4.434 1.00 0.00 C ATOM 683 CG ARG A 45 -14.060 5.407 3.714 1.00 0.00 C ATOM 684 CD ARG A 45 -15.192 5.997 2.887 1.00 0.00 C ATOM 685 NE ARG A 45 -16.190 4.992 2.530 1.00 0.00 N ATOM 686 CZ ARG A 45 -17.480 5.264 2.352 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.925 6.504 2.496 1.00 0.00 N ATOM 688 NH2 ARG A 45 -18.324 4.294 2.029 1.00 0.00 N ATOM 0 H ARG A 45 -11.268 5.016 4.720 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.049 6.965 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.123 6.189 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.865 7.406 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.391 4.841 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.467 4.706 4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.670 6.800 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.784 6.442 1.979 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.880 4.027 2.410 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.278 7.253 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.915 6.710 2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.984 3.339 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.313 4.503 1.893 1.00 0.00 H new ATOM 702 N ASN A 46 -11.220 9.103 3.636 1.00 0.00 N ATOM 703 CA ASN A 46 -10.662 10.364 4.114 1.00 0.00 C ATOM 704 C ASN A 46 -11.765 11.383 4.377 1.00 0.00 C ATOM 705 O ASN A 46 -12.938 11.128 4.105 1.00 0.00 O ATOM 706 CB ASN A 46 -9.668 10.924 3.096 1.00 0.00 C ATOM 707 CG ASN A 46 -8.876 9.836 2.399 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.899 9.723 1.174 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.169 9.027 3.179 1.00 0.00 N ATOM 0 H ASN A 46 -11.527 9.119 2.663 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.141 10.169 5.052 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.207 11.510 2.352 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.980 11.603 3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.616 8.276 2.767 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.179 9.157 4.191 1.00 0.00 H new ATOM 716 N THR A 47 -11.377 12.536 4.909 1.00 0.00 N ATOM 717 CA THR A 47 -12.330 13.598 5.214 1.00 0.00 C ATOM 718 C THR A 47 -12.648 14.426 3.973 1.00 0.00 C ATOM 719 O THR A 47 -13.619 15.182 3.953 1.00 0.00 O ATOM 720 CB THR A 47 -11.796 14.531 6.316 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.528 15.074 5.929 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.653 13.785 7.634 1.00 0.00 C ATOM 0 H THR A 47 -10.409 12.760 5.138 1.00 0.00 H new ATOM 0 HA THR A 47 -13.240 13.114 5.567 1.00 0.00 H new ATOM 0 HB THR A 47 -12.511 15.342 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.197 15.667 6.635 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.274 14.465 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.625 13.400 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.957 12.956 7.509 1.00 0.00 H new ATOM 730 N ASP A 48 -11.823 14.279 2.940 1.00 0.00 N ATOM 731 CA ASP A 48 -12.018 15.015 1.695 1.00 0.00 C ATOM 732 C ASP A 48 -13.179 14.434 0.895 1.00 0.00 C ATOM 733 O ASP A 48 -13.605 15.011 -0.107 1.00 0.00 O ATOM 734 CB ASP A 48 -10.740 14.988 0.857 1.00 0.00 C ATOM 735 CG ASP A 48 -10.171 13.590 0.708 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.943 12.617 0.835 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.952 13.469 0.466 1.00 0.00 O ATOM 0 H ASP A 48 -11.014 13.658 2.941 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.257 16.048 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.949 15.399 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.993 15.633 1.319 1.00 0.00 H new ATOM 742 N GLY A 49 -13.688 13.291 1.344 1.00 0.00 N ATOM 743 CA GLY A 49 -14.797 12.652 0.661 1.00 0.00 C ATOM 744 C GLY A 49 -14.365 11.451 -0.157 1.00 0.00 C ATOM 745 O GLY A 49 -15.134 10.507 -0.338 1.00 0.00 O ATOM 0 H GLY A 49 -13.351 12.796 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.539 12.339 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.282 13.377 0.007 1.00 0.00 H new ATOM 749 N SER A 50 -13.132 11.485 -0.652 1.00 0.00 N ATOM 750 CA SER A 50 -12.602 10.389 -1.454 1.00 0.00 C ATOM 751 C SER A 50 -12.146 9.233 -0.571 1.00 0.00 C ATOM 752 O SER A 50 -12.207 9.312 0.656 1.00 0.00 O ATOM 753 CB SER A 50 -11.443 10.870 -2.329 1.00 0.00 C ATOM 754 OG SER A 50 -10.753 11.946 -1.718 1.00 0.00 O ATOM 0 H SER A 50 -12.482 12.259 -0.512 1.00 0.00 H new ATOM 0 HA SER A 50 -13.405 10.032 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.752 10.046 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.823 11.183 -3.301 1.00 0.00 H new ATOM 0 HG SER A 50 -10.657 11.770 -0.759 1.00 0.00 H new ATOM 760 N THR A 51 -11.697 8.158 -1.208 1.00 0.00 N ATOM 761 CA THR A 51 -11.238 6.977 -0.488 1.00 0.00 C ATOM 762 C THR A 51 -10.035 6.338 -1.175 1.00 0.00 C ATOM 763 O THR A 51 -9.710 6.671 -2.314 1.00 0.00 O ATOM 764 CB THR A 51 -12.364 5.933 -0.371 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.626 6.591 -0.210 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.124 4.998 0.804 1.00 0.00 C ATOM 0 H THR A 51 -11.641 8.080 -2.223 1.00 0.00 H new ATOM 0 HA THR A 51 -10.942 7.306 0.508 1.00 0.00 H new ATOM 0 HB THR A 51 -12.373 5.342 -1.287 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.351 5.950 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.935 4.272 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.178 4.475 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.088 5.576 1.727 1.00 0.00 H new ATOM 774 N ASP A 52 -9.385 5.412 -0.476 1.00 0.00 N ATOM 775 CA ASP A 52 -8.223 4.712 -1.010 1.00 0.00 C ATOM 776 C ASP A 52 -8.515 3.229 -1.142 1.00 0.00 C ATOM 777 O ASP A 52 -8.256 2.449 -0.226 1.00 0.00 O ATOM 778 CB ASP A 52 -7.010 4.932 -0.105 1.00 0.00 C ATOM 779 CG ASP A 52 -6.565 6.381 -0.074 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.351 6.959 -1.160 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.431 6.937 1.036 1.00 0.00 O ATOM 0 H ASP A 52 -9.646 5.128 0.468 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.000 5.113 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.252 4.608 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.185 4.309 -0.451 1.00 0.00 H new ATOM 786 N TYR A 53 -9.064 2.845 -2.288 1.00 0.00 N ATOM 787 CA TYR A 53 -9.400 1.454 -2.533 1.00 0.00 C ATOM 788 C TYR A 53 -8.307 0.744 -3.320 1.00 0.00 C ATOM 789 O TYR A 53 -8.422 0.573 -4.530 1.00 0.00 O ATOM 790 CB TYR A 53 -10.717 1.339 -3.305 1.00 0.00 C ATOM 791 CG TYR A 53 -11.901 2.011 -2.646 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.441 1.511 -1.470 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.488 3.135 -3.212 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.533 2.114 -0.873 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.581 3.742 -2.623 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.098 3.228 -1.454 1.00 0.00 C ATOM 797 OH TYR A 53 -15.187 3.829 -0.865 1.00 0.00 O ATOM 0 H TYR A 53 -9.284 3.477 -3.058 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.502 0.977 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.579 1.769 -4.297 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.948 0.283 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.001 0.637 -1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.084 3.541 -4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.941 1.714 0.044 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.027 4.615 -3.077 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.463 4.602 -1.400 1.00 0.00 H new ATOM 807 N GLY A 54 -7.231 0.350 -2.657 1.00 0.00 N ATOM 808 CA GLY A 54 -6.165 -0.331 -3.370 1.00 0.00 C ATOM 809 C GLY A 54 -4.907 -0.483 -2.545 1.00 0.00 C ATOM 810 O GLY A 54 -4.717 0.224 -1.556 1.00 0.00 O ATOM 0 H GLY A 54 -7.075 0.485 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.513 -1.317 -3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.932 0.223 -4.280 1.00 0.00 H new ATOM 814 N ILE A 55 -4.025 -1.385 -2.972 1.00 0.00 N ATOM 815 CA ILE A 55 -2.763 -1.586 -2.279 1.00 0.00 C ATOM 816 C ILE A 55 -1.937 -0.319 -2.421 1.00 0.00 C ATOM 817 O ILE A 55 -1.095 0.001 -1.581 1.00 0.00 O ATOM 818 CB ILE A 55 -1.965 -2.777 -2.852 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.732 -3.051 -1.988 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.561 -2.492 -4.292 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.132 -4.184 -2.500 1.00 0.00 C ATOM 0 H ILE A 55 -4.163 -1.981 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.977 -1.809 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.597 -3.665 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.130 -2.144 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.055 -3.283 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.999 -3.338 -4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.455 -2.337 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.940 -1.597 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.986 -4.319 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.453 -5.103 -2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.486 -3.947 -3.503 1.00 0.00 H new ATOM 833 N LEU A 56 -2.225 0.412 -3.495 1.00 0.00 N ATOM 834 CA LEU A 56 -1.562 1.672 -3.778 1.00 0.00 C ATOM 835 C LEU A 56 -2.547 2.814 -3.556 1.00 0.00 C ATOM 836 O LEU A 56 -2.245 3.974 -3.842 1.00 0.00 O ATOM 837 CB LEU A 56 -1.027 1.703 -5.217 1.00 0.00 C ATOM 838 CG LEU A 56 0.496 1.861 -5.354 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.015 2.944 -4.418 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.193 0.538 -5.076 1.00 0.00 C ATOM 0 H LEU A 56 -2.923 0.144 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.711 1.783 -3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.325 0.782 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.509 2.524 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 56 0.717 2.163 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.095 3.037 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.541 3.894 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.782 2.677 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.271 0.666 -5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.960 0.210 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.848 -0.212 -5.789 1.00 0.00 H new ATOM 852 N GLN A 57 -3.733 2.467 -3.035 1.00 0.00 N ATOM 853 CA GLN A 57 -4.787 3.439 -2.749 1.00 0.00 C ATOM 854 C GLN A 57 -5.448 3.945 -4.025 1.00 0.00 C ATOM 855 O GLN A 57 -5.193 5.071 -4.453 1.00 0.00 O ATOM 856 CB GLN A 57 -4.227 4.618 -1.947 1.00 0.00 C ATOM 857 CG GLN A 57 -3.604 4.211 -0.622 1.00 0.00 C ATOM 858 CD GLN A 57 -3.471 5.375 0.341 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.013 5.346 1.446 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.748 6.408 -0.074 1.00 0.00 N ATOM 0 H GLN A 57 -3.984 1.506 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.547 2.930 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.478 5.133 -2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.029 5.332 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.212 3.432 -0.163 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.619 3.781 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.316 6.390 -0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.624 7.220 0.531 1.00 0.00 H new ATOM 869 N ILE A 58 -6.293 3.116 -4.646 1.00 0.00 N ATOM 870 CA ILE A 58 -6.951 3.520 -5.870 1.00 0.00 C ATOM 871 C ILE A 58 -8.224 4.281 -5.551 1.00 0.00 C ATOM 872 O ILE A 58 -9.279 3.691 -5.312 1.00 0.00 O ATOM 873 CB ILE A 58 -7.263 2.307 -6.774 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.974 1.778 -7.416 1.00 0.00 C ATOM 875 CG2 ILE A 58 -8.271 2.684 -7.851 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.940 1.296 -6.423 1.00 0.00 C ATOM 0 H ILE A 58 -6.528 2.179 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.270 4.173 -6.416 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.697 1.521 -6.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.226 0.958 -8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.535 2.567 -8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.477 1.816 -8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.196 3.021 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.863 3.486 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.060 0.939 -6.958 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.656 2.118 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.358 0.484 -5.828 1.00 0.00 H new ATOM 888 N ASN A 59 -8.113 5.602 -5.547 1.00 0.00 N ATOM 889 CA ASN A 59 -9.248 6.455 -5.263 1.00 0.00 C ATOM 890 C ASN A 59 -10.311 6.254 -6.329 1.00 0.00 C ATOM 891 O ASN A 59 -10.218 6.814 -7.421 1.00 0.00 O ATOM 892 CB ASN A 59 -8.808 7.918 -5.218 1.00 0.00 C ATOM 893 CG ASN A 59 -9.933 8.856 -4.824 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.056 8.425 -4.565 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.633 10.148 -4.773 1.00 0.00 N ATOM 0 H ASN A 59 -7.245 6.103 -5.738 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.664 6.191 -4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.987 8.024 -4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.424 8.208 -6.196 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.347 10.827 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.688 10.461 -4.996 1.00 0.00 H new ATOM 902 N SER A 60 -11.318 5.450 -6.013 1.00 0.00 N ATOM 903 CA SER A 60 -12.396 5.176 -6.956 1.00 0.00 C ATOM 904 C SER A 60 -13.188 6.438 -7.288 1.00 0.00 C ATOM 905 O SER A 60 -13.968 6.454 -8.238 1.00 0.00 O ATOM 906 CB SER A 60 -13.335 4.110 -6.389 1.00 0.00 C ATOM 907 OG SER A 60 -14.333 4.694 -5.569 1.00 0.00 O ATOM 0 H SER A 60 -11.411 4.977 -5.114 1.00 0.00 H new ATOM 0 HA SER A 60 -11.943 4.810 -7.877 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.805 3.563 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.761 3.386 -5.810 1.00 0.00 H new ATOM 0 HG SER A 60 -14.183 4.434 -4.636 1.00 0.00 H new ATOM 913 N ARG A 61 -12.990 7.496 -6.508 1.00 0.00 N ATOM 914 CA ARG A 61 -13.695 8.751 -6.743 1.00 0.00 C ATOM 915 C ARG A 61 -12.776 9.763 -7.417 1.00 0.00 C ATOM 916 O ARG A 61 -12.974 10.973 -7.303 1.00 0.00 O ATOM 917 CB ARG A 61 -14.223 9.320 -5.424 1.00 0.00 C ATOM 918 CG ARG A 61 -15.470 10.173 -5.585 1.00 0.00 C ATOM 919 CD ARG A 61 -15.350 11.486 -4.829 1.00 0.00 C ATOM 920 NE ARG A 61 -16.540 12.318 -4.984 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.678 13.520 -4.430 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.704 14.027 -3.688 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.793 14.213 -4.620 1.00 0.00 N ATOM 0 H ARG A 61 -12.351 7.510 -5.713 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.539 8.552 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.442 8.496 -4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.441 9.919 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.639 10.375 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.338 9.622 -5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.186 11.281 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.477 12.032 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.309 11.957 -5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.846 13.496 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.812 14.949 -3.265 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.544 13.824 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.899 15.134 -4.196 1.00 0.00 H new ATOM 937 N TRP A 62 -11.767 9.255 -8.119 1.00 0.00 N ATOM 938 CA TRP A 62 -10.817 10.124 -8.807 1.00 0.00 C ATOM 939 C TRP A 62 -10.025 9.403 -9.901 1.00 0.00 C ATOM 940 O TRP A 62 -9.337 10.055 -10.688 1.00 0.00 O ATOM 941 CB TRP A 62 -9.847 10.743 -7.798 1.00 0.00 C ATOM 942 CG TRP A 62 -9.929 12.240 -7.718 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.696 13.067 -8.489 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.213 13.088 -6.813 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.501 14.375 -8.118 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.594 14.415 -7.091 1.00 0.00 C ATOM 947 CE3 TRP A 62 -8.285 12.855 -5.793 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.082 15.500 -6.387 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.777 13.933 -5.095 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.176 15.242 -5.393 1.00 0.00 C ATOM 0 H TRP A 62 -11.587 8.257 -8.226 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.405 10.901 -9.296 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.047 10.324 -6.812 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.829 10.458 -8.065 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.359 12.740 -9.276 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.957 15.185 -8.538 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.971 11.849 -5.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.388 16.510 -6.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -7.060 13.764 -4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.761 16.064 -4.828 1.00 0.00 H new ATOM 961 N TRP A 63 -10.092 8.072 -9.954 1.00 0.00 N ATOM 962 CA TRP A 63 -9.338 7.334 -10.963 1.00 0.00 C ATOM 963 C TRP A 63 -10.156 6.232 -11.631 1.00 0.00 C ATOM 964 O TRP A 63 -9.753 5.714 -12.672 1.00 0.00 O ATOM 965 CB TRP A 63 -8.087 6.703 -10.341 1.00 0.00 C ATOM 966 CG TRP A 63 -7.100 7.693 -9.803 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.572 7.730 -8.543 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.517 8.784 -10.513 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.687 8.776 -8.434 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.639 9.440 -9.632 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.653 9.266 -11.812 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.899 10.557 -10.014 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.926 10.371 -12.192 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.055 11.010 -11.298 1.00 0.00 C ATOM 0 H TRP A 63 -10.649 7.495 -9.324 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.064 8.062 -11.727 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.393 6.037 -9.534 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.593 6.087 -11.092 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.815 7.039 -7.749 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.154 9.018 -7.599 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.318 8.780 -12.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.228 11.047 -9.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.028 10.753 -13.197 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.497 11.874 -11.627 1.00 0.00 H new ATOM 985 N CYS A 64 -11.284 5.847 -11.045 1.00 0.00 N ATOM 986 CA CYS A 64 -12.078 4.779 -11.643 1.00 0.00 C ATOM 987 C CYS A 64 -13.570 5.013 -11.502 1.00 0.00 C ATOM 988 O CYS A 64 -14.026 5.684 -10.579 1.00 0.00 O ATOM 989 CB CYS A 64 -11.728 3.432 -11.001 1.00 0.00 C ATOM 990 SG CYS A 64 -12.771 2.987 -9.569 1.00 0.00 S ATOM 0 H CYS A 64 -11.661 6.243 -10.184 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.835 4.770 -12.705 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.815 2.650 -11.755 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.686 3.454 -10.683 1.00 0.00 H new ATOM 995 N ASN A 65 -14.326 4.437 -12.428 1.00 0.00 N ATOM 996 CA ASN A 65 -15.778 4.560 -12.411 1.00 0.00 C ATOM 997 C ASN A 65 -16.396 3.362 -11.697 1.00 0.00 C ATOM 998 O ASN A 65 -16.454 2.261 -12.247 1.00 0.00 O ATOM 999 CB ASN A 65 -16.323 4.661 -13.837 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.741 5.193 -13.878 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.965 6.378 -14.125 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.709 4.317 -13.635 1.00 0.00 N ATOM 0 H ASN A 65 -13.958 3.880 -13.200 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.044 5.470 -11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.676 5.313 -14.425 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.294 3.677 -14.305 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.684 4.617 -13.649 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.478 3.344 -13.435 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.847 3.580 -10.467 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.448 2.513 -9.675 1.00 0.00 C ATOM 1011 C ASP A 66 -18.971 2.612 -9.673 1.00 0.00 C ATOM 1012 O ASP A 66 -19.660 1.657 -9.316 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.914 2.553 -8.243 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.467 3.720 -7.449 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.591 4.823 -8.021 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.777 3.531 -6.253 1.00 0.00 O ATOM 0 H ASP A 66 -16.808 4.484 -9.997 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.175 1.562 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.168 1.621 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.826 2.617 -8.266 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.491 3.766 -10.080 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.930 3.958 -10.124 1.00 0.00 C ATOM 1023 C GLY A 67 -21.560 4.081 -8.749 1.00 0.00 C ATOM 1024 O GLY A 67 -22.702 4.526 -8.625 1.00 0.00 O ATOM 0 H GLY A 67 -18.942 4.572 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.153 4.856 -10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.386 3.120 -10.652 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.825 3.686 -7.714 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.333 3.755 -6.347 1.00 0.00 C ATOM 1030 C ARG A 68 -21.023 5.107 -5.714 1.00 0.00 C ATOM 1031 O ARG A 68 -21.496 5.412 -4.618 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.731 2.632 -5.501 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.013 1.241 -6.045 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.770 0.367 -6.011 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.377 0.027 -4.646 1.00 0.00 N ATOM 1036 CZ ARG A 68 -19.413 -1.208 -4.154 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.821 -2.216 -4.913 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -19.039 -1.435 -2.902 1.00 0.00 N ATOM 0 H ARG A 68 -19.878 3.316 -7.795 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.416 3.634 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.652 2.776 -5.436 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.123 2.703 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.804 0.773 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.378 1.317 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.955 -0.548 -6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -18.949 0.885 -6.506 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.057 0.779 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.108 -2.045 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.848 -3.162 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.724 -0.662 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.067 -2.382 -2.525 1.00 0.00 H new ATOM 1052 N THR A 69 -20.226 5.913 -6.407 1.00 0.00 N ATOM 1053 CA THR A 69 -19.855 7.232 -5.909 1.00 0.00 C ATOM 1054 C THR A 69 -20.035 8.300 -6.984 1.00 0.00 C ATOM 1055 O THR A 69 -19.154 8.503 -7.820 1.00 0.00 O ATOM 1056 CB THR A 69 -18.396 7.256 -5.416 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.022 5.963 -4.927 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.214 8.291 -4.316 1.00 0.00 C ATOM 0 H THR A 69 -19.825 5.676 -7.314 1.00 0.00 H new ATOM 0 HA THR A 69 -20.518 7.450 -5.072 1.00 0.00 H new ATOM 0 HB THR A 69 -17.756 7.525 -6.257 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.929 5.343 -5.680 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.176 8.290 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.471 9.278 -4.699 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.864 8.047 -3.476 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.185 8.998 -6.979 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.477 10.050 -7.960 1.00 0.00 C ATOM 1068 C PRO A 70 -20.400 11.129 -7.989 1.00 0.00 C ATOM 1069 O PRO A 70 -20.099 11.747 -6.968 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.806 10.638 -7.477 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.428 9.556 -6.663 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.289 8.818 -6.018 1.00 0.00 C ATOM 0 HA PRO A 70 -21.516 9.655 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.648 11.538 -6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.443 10.918 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.100 9.970 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -24.021 8.889 -7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.043 9.232 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.525 7.764 -5.868 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.820 11.348 -9.165 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.782 12.352 -9.306 1.00 0.00 C ATOM 1082 C GLY A 71 -17.471 11.765 -9.789 1.00 0.00 C ATOM 1083 O GLY A 71 -16.452 12.454 -9.828 1.00 0.00 O ATOM 0 H GLY A 71 -20.051 10.847 -10.023 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.114 13.118 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.625 12.845 -8.347 1.00 0.00 H new ATOM 1087 N SER A 72 -17.498 10.488 -10.159 1.00 0.00 N ATOM 1088 CA SER A 72 -16.303 9.805 -10.643 1.00 0.00 C ATOM 1089 C SER A 72 -15.776 10.467 -11.912 1.00 0.00 C ATOM 1090 O SER A 72 -16.449 10.480 -12.943 1.00 0.00 O ATOM 1091 CB SER A 72 -16.606 8.330 -10.911 1.00 0.00 C ATOM 1092 OG SER A 72 -17.719 8.187 -11.778 1.00 0.00 O ATOM 0 H SER A 72 -18.335 9.905 -10.133 1.00 0.00 H new ATOM 0 HA SER A 72 -15.536 9.876 -9.872 1.00 0.00 H new ATOM 0 HB2 SER A 72 -15.733 7.851 -11.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.807 7.820 -9.969 1.00 0.00 H new ATOM 0 HG SER A 72 -17.509 7.530 -12.474 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.568 11.015 -11.828 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.949 11.680 -12.969 1.00 0.00 C ATOM 1100 C ARG A 73 -13.539 10.667 -14.033 1.00 0.00 C ATOM 1101 O ARG A 73 -13.698 10.912 -15.229 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.729 12.484 -12.517 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.300 13.549 -13.513 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.353 14.940 -12.899 1.00 0.00 C ATOM 1105 NE ARG A 73 -13.699 15.289 -12.453 1.00 0.00 N ATOM 1106 CZ ARG A 73 -14.654 15.731 -13.265 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -14.413 15.876 -14.562 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -15.853 16.028 -12.782 1.00 0.00 N ATOM 0 H ARG A 73 -13.998 11.012 -10.982 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.683 12.359 -13.403 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.951 12.960 -11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.897 11.801 -12.347 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.287 13.340 -13.857 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.948 13.512 -14.389 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.666 14.990 -12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.012 15.673 -13.630 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.919 15.188 -11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.493 15.648 -14.938 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.148 16.215 -15.182 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.043 15.917 -11.786 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.585 16.367 -13.407 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.002 9.533 -13.586 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.556 8.478 -14.493 1.00 0.00 C ATOM 1124 C ASN A 74 -11.349 8.956 -15.291 1.00 0.00 C ATOM 1125 O ASN A 74 -11.221 8.678 -16.484 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.687 8.062 -15.438 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.588 6.607 -15.857 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.779 6.271 -17.024 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.287 5.736 -14.900 1.00 0.00 N ATOM 0 H ASN A 74 -12.865 9.321 -12.598 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.270 7.609 -13.901 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.646 8.231 -14.948 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.666 8.695 -16.325 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.206 4.743 -15.121 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.137 6.060 -13.945 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.460 9.663 -14.606 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.243 10.182 -15.199 1.00 0.00 C ATOM 1138 C LEU A 75 -8.379 9.061 -15.711 1.00 0.00 C ATOM 1139 O LEU A 75 -7.840 9.090 -16.817 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.471 10.910 -14.117 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.729 12.414 -14.023 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.963 13.015 -12.855 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.353 13.107 -15.325 1.00 0.00 C ATOM 0 H LEU A 75 -10.567 9.892 -13.618 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.501 10.841 -16.028 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.712 10.457 -13.155 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.406 10.752 -14.286 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.794 12.568 -13.851 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.159 14.086 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.285 12.543 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.895 12.848 -12.996 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.544 14.176 -15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.295 12.944 -15.532 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.950 12.698 -16.140 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.265 8.090 -14.851 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.483 6.912 -15.090 1.00 0.00 C ATOM 1157 C CYS A 76 -8.276 5.919 -15.930 1.00 0.00 C ATOM 1158 O CYS A 76 -7.710 5.140 -16.698 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.141 6.340 -13.737 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.489 5.598 -13.593 1.00 0.00 S ATOM 0 H CYS A 76 -8.725 8.096 -13.941 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.573 7.139 -15.645 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.229 7.133 -12.994 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.883 5.583 -13.485 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.597 5.964 -15.769 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.494 5.078 -16.501 1.00 0.00 C ATOM 1167 C ASN A 77 -10.060 3.634 -16.318 1.00 0.00 C ATOM 1168 O ASN A 77 -9.817 2.914 -17.287 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.507 5.441 -17.988 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.732 4.905 -18.705 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.151 3.771 -18.478 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.314 5.723 -19.573 1.00 0.00 N ATOM 0 H ASN A 77 -10.070 6.608 -15.135 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.503 5.198 -16.107 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.473 6.525 -18.095 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.609 5.045 -18.463 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.143 5.419 -20.083 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.932 6.656 -19.730 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.948 3.227 -15.062 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.529 1.885 -14.736 1.00 0.00 C ATOM 1181 C ILE A 78 -10.628 1.136 -13.996 1.00 0.00 C ATOM 1182 O ILE A 78 -11.385 1.732 -13.237 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.252 1.914 -13.871 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.444 1.142 -12.559 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.862 3.348 -13.591 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.801 2.016 -11.372 1.00 0.00 C ATOM 0 H ILE A 78 -10.144 3.816 -14.253 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.319 1.365 -15.671 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.451 1.423 -14.424 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.229 0.399 -12.699 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.527 0.598 -12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.960 3.367 -12.980 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.674 3.864 -14.532 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.671 3.848 -13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.919 1.394 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.006 2.742 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.735 2.541 -11.574 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.718 -0.189 -14.173 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.709 -0.989 -13.471 1.00 0.00 C ATOM 1200 C PRO A 79 -11.231 -1.268 -12.051 1.00 0.00 C ATOM 1201 O PRO A 79 -10.265 -2.006 -11.850 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.768 -2.270 -14.298 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.400 -2.407 -14.881 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.846 -1.011 -15.033 1.00 0.00 C ATOM 0 HA PRO A 79 -12.683 -0.508 -13.376 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.023 -3.130 -13.679 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.526 -2.203 -15.078 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.762 -3.007 -14.232 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.440 -2.914 -15.845 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.805 -0.957 -14.714 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.879 -0.678 -16.070 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.883 -0.655 -11.069 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.485 -0.824 -9.677 1.00 0.00 C ATOM 1214 C CYS A 80 -11.548 -2.284 -9.231 1.00 0.00 C ATOM 1215 O CYS A 80 -10.566 -2.819 -8.721 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.337 0.067 -8.769 1.00 0.00 C ATOM 1217 SG CYS A 80 -11.615 1.719 -8.480 1.00 0.00 S ATOM 0 H CYS A 80 -12.685 -0.040 -11.210 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.443 -0.516 -9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.325 0.184 -9.213 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.476 -0.433 -7.810 1.00 0.00 H new ATOM 1222 N SER A 81 -12.698 -2.923 -9.406 1.00 0.00 N ATOM 1223 CA SER A 81 -12.864 -4.319 -8.999 1.00 0.00 C ATOM 1224 C SER A 81 -11.817 -5.233 -9.644 1.00 0.00 C ATOM 1225 O SER A 81 -11.481 -6.282 -9.093 1.00 0.00 O ATOM 1226 CB SER A 81 -14.268 -4.808 -9.356 1.00 0.00 C ATOM 1227 OG SER A 81 -14.707 -4.250 -10.583 1.00 0.00 O ATOM 0 H SER A 81 -13.528 -2.502 -9.825 1.00 0.00 H new ATOM 0 HA SER A 81 -12.723 -4.362 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.270 -5.896 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.963 -4.538 -8.561 1.00 0.00 H new ATOM 0 HG SER A 81 -15.606 -4.580 -10.789 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.312 -4.841 -10.811 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.313 -5.642 -11.521 1.00 0.00 C ATOM 1235 C ALA A 82 -8.932 -5.517 -10.882 1.00 0.00 C ATOM 1236 O ALA A 82 -8.028 -6.299 -11.175 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.256 -5.235 -12.984 1.00 0.00 C ATOM 0 H ALA A 82 -11.576 -3.977 -11.285 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.616 -6.687 -11.452 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.509 -5.838 -13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.232 -5.393 -13.444 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.986 -4.182 -13.058 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.780 -4.531 -10.007 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.509 -4.304 -9.324 1.00 0.00 C ATOM 1245 C LEU A 83 -7.534 -4.890 -7.918 1.00 0.00 C ATOM 1246 O LEU A 83 -6.528 -4.871 -7.209 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.184 -2.806 -9.266 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.798 -2.040 -8.091 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.785 -1.875 -6.969 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.304 -0.683 -8.551 1.00 0.00 C ATOM 0 H LEU A 83 -9.519 -3.876 -9.753 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.729 -4.809 -9.894 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.101 -2.689 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.521 -2.343 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.641 -2.616 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.242 -1.328 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.465 -2.857 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.921 -1.321 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.738 -0.150 -7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.475 -0.104 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.063 -0.820 -9.321 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.695 -5.387 -7.510 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.855 -5.950 -6.177 1.00 0.00 C ATOM 1264 C LEU A 84 -8.914 -7.477 -6.196 1.00 0.00 C ATOM 1265 O LEU A 84 -8.829 -8.114 -5.145 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.118 -5.378 -5.535 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.352 -3.893 -5.815 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.746 -3.476 -5.381 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.296 -3.047 -5.119 1.00 0.00 C ATOM 0 H LEU A 84 -9.538 -5.411 -8.083 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.980 -5.674 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.980 -5.943 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.063 -5.528 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.270 -3.730 -6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.890 -2.416 -5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.487 -4.058 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.863 -3.655 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.478 -1.993 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.345 -3.216 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.308 -3.325 -5.485 1.00 0.00 H new ATOM 1281 N SER A 85 -9.081 -8.066 -7.381 1.00 0.00 N ATOM 1282 CA SER A 85 -9.169 -9.522 -7.499 1.00 0.00 C ATOM 1283 C SER A 85 -7.806 -10.189 -7.350 1.00 0.00 C ATOM 1284 O SER A 85 -7.482 -11.147 -8.053 1.00 0.00 O ATOM 1285 CB SER A 85 -9.810 -9.916 -8.831 1.00 0.00 C ATOM 1286 OG SER A 85 -11.200 -9.643 -8.830 1.00 0.00 O ATOM 0 H SER A 85 -9.157 -7.563 -8.265 1.00 0.00 H new ATOM 0 HA SER A 85 -9.800 -9.875 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.330 -9.371 -9.644 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.645 -10.977 -9.017 1.00 0.00 H new ATOM 0 HG SER A 85 -11.585 -9.902 -9.693 1.00 0.00 H new ATOM 1292 N SER A 86 -7.024 -9.658 -6.426 1.00 0.00 N ATOM 1293 CA SER A 86 -5.681 -10.156 -6.136 1.00 0.00 C ATOM 1294 C SER A 86 -4.771 -9.814 -7.291 1.00 0.00 C ATOM 1295 O SER A 86 -3.731 -10.436 -7.505 1.00 0.00 O ATOM 1296 CB SER A 86 -5.695 -11.669 -5.896 1.00 0.00 C ATOM 1297 OG SER A 86 -6.825 -12.054 -5.132 1.00 0.00 O ATOM 0 H SER A 86 -7.301 -8.863 -5.849 1.00 0.00 H new ATOM 0 HA SER A 86 -5.314 -9.682 -5.226 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.703 -12.192 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.783 -11.967 -5.378 1.00 0.00 H new ATOM 0 HG SER A 86 -6.812 -13.024 -4.994 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.211 -8.828 -8.049 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.510 -8.373 -9.224 1.00 0.00 C ATOM 1305 C ASP A 87 -4.128 -6.904 -9.094 1.00 0.00 C ATOM 1306 O ASP A 87 -4.999 -6.037 -9.048 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.440 -8.565 -10.408 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.736 -8.444 -11.744 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.745 -9.173 -11.961 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.173 -7.619 -12.574 1.00 0.00 O ATOM 0 H ASP A 87 -6.074 -8.318 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.589 -8.940 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.908 -9.547 -10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.240 -7.826 -10.357 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.831 -6.619 -9.038 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.370 -5.243 -8.918 1.00 0.00 C ATOM 1317 C ILE A 88 -2.227 -4.586 -10.280 1.00 0.00 C ATOM 1318 O ILE A 88 -1.976 -3.391 -10.367 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.019 -5.144 -8.181 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.186 -6.408 -8.404 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.241 -4.897 -6.698 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.302 -6.185 -8.237 1.00 0.00 C ATOM 0 H ILE A 88 -2.087 -7.316 -9.073 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.130 -4.722 -8.335 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.464 -4.299 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.511 -7.177 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.378 -6.789 -9.407 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.278 -4.830 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.788 -3.964 -6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.817 -5.720 -6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.832 -7.122 -8.409 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.641 -5.439 -8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.506 -5.833 -7.226 1.00 0.00 H new ATOM 1334 N THR A 89 -2.372 -5.373 -11.342 1.00 0.00 N ATOM 1335 CA THR A 89 -2.247 -4.854 -12.699 1.00 0.00 C ATOM 1336 C THR A 89 -3.016 -3.548 -12.872 1.00 0.00 C ATOM 1337 O THR A 89 -2.444 -2.529 -13.252 1.00 0.00 O ATOM 1338 CB THR A 89 -2.748 -5.873 -13.740 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.360 -7.197 -13.356 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.192 -5.556 -15.119 1.00 0.00 C ATOM 0 H THR A 89 -2.576 -6.371 -11.289 1.00 0.00 H new ATOM 0 HA THR A 89 -1.186 -4.667 -12.863 1.00 0.00 H new ATOM 0 HB THR A 89 -3.835 -5.811 -13.782 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.684 -7.839 -14.022 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.560 -6.289 -15.837 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.514 -4.559 -15.421 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.103 -5.592 -15.089 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.318 -3.588 -12.604 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.162 -2.417 -12.740 1.00 0.00 C ATOM 1350 C ALA A 90 -4.723 -1.289 -11.807 1.00 0.00 C ATOM 1351 O ALA A 90 -4.659 -0.126 -12.211 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.616 -2.783 -12.493 1.00 0.00 C ATOM 0 H ALA A 90 -4.808 -4.426 -12.290 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.059 -2.051 -13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.238 -1.894 -12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.930 -3.534 -13.218 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.724 -3.184 -11.485 1.00 0.00 H new ATOM 1358 N SER A 91 -4.413 -1.639 -10.559 1.00 0.00 N ATOM 1359 CA SER A 91 -3.972 -0.654 -9.572 1.00 0.00 C ATOM 1360 C SER A 91 -2.661 -0.008 -9.986 1.00 0.00 C ATOM 1361 O SER A 91 -2.443 1.184 -9.759 1.00 0.00 O ATOM 1362 CB SER A 91 -3.807 -1.317 -8.204 1.00 0.00 C ATOM 1363 OG SER A 91 -4.051 -2.710 -8.277 1.00 0.00 O ATOM 0 H SER A 91 -4.459 -2.596 -10.208 1.00 0.00 H new ATOM 0 HA SER A 91 -4.734 0.123 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.798 -1.141 -7.831 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.494 -0.862 -7.491 1.00 0.00 H new ATOM 0 HG SER A 91 -4.253 -3.054 -7.382 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.789 -0.798 -10.589 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.506 -0.285 -11.017 1.00 0.00 C ATOM 1371 C VAL A 92 -0.650 0.576 -12.250 1.00 0.00 C ATOM 1372 O VAL A 92 -0.197 1.705 -12.257 1.00 0.00 O ATOM 1373 CB VAL A 92 0.533 -1.381 -11.304 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.760 -0.767 -11.974 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.918 -2.104 -10.022 1.00 0.00 C ATOM 0 H VAL A 92 -1.946 -1.786 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.142 0.306 -10.177 1.00 0.00 H new ATOM 0 HB VAL A 92 0.096 -2.115 -11.981 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.493 -1.548 -12.175 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.465 -0.296 -12.912 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.199 -0.019 -11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.654 -2.876 -10.247 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.344 -1.391 -9.316 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.032 -2.564 -9.584 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.283 0.047 -13.289 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.472 0.795 -14.505 1.00 0.00 C ATOM 1387 C ASN A 93 -1.879 2.222 -14.183 1.00 0.00 C ATOM 1388 O ASN A 93 -1.379 3.184 -14.773 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.510 0.111 -15.376 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.676 1.010 -15.738 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.580 1.838 -16.644 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.787 0.852 -15.028 1.00 0.00 N ATOM 0 H ASN A 93 -1.670 -0.896 -13.305 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.533 0.830 -15.057 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.032 -0.239 -16.291 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.887 -0.770 -14.856 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.605 1.429 -15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.823 0.153 -14.286 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.772 2.346 -13.212 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.237 3.646 -12.777 1.00 0.00 C ATOM 1401 C CYS A 94 -2.087 4.460 -12.203 1.00 0.00 C ATOM 1402 O CYS A 94 -1.894 5.615 -12.579 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.343 3.501 -11.737 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.460 4.934 -11.674 1.00 0.00 S ATOM 0 H CYS A 94 -3.187 1.559 -12.713 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.639 4.170 -13.644 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.924 2.605 -11.956 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.893 3.356 -10.755 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.323 3.859 -11.291 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.197 4.561 -10.681 1.00 0.00 C ATOM 1411 C ALA A 95 0.924 4.771 -11.684 1.00 0.00 C ATOM 1412 O ALA A 95 1.546 5.822 -11.700 1.00 0.00 O ATOM 1413 CB ALA A 95 0.310 3.840 -9.457 1.00 0.00 C ATOM 0 H ALA A 95 -1.461 2.903 -10.963 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.558 5.539 -10.363 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.148 4.392 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.490 3.768 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.639 2.839 -9.735 1.00 0.00 H new ATOM 1419 N LYS A 96 1.164 3.783 -12.541 1.00 0.00 N ATOM 1420 CA LYS A 96 2.188 3.913 -13.561 1.00 0.00 C ATOM 1421 C LYS A 96 1.971 5.260 -14.237 1.00 0.00 C ATOM 1422 O LYS A 96 2.906 5.981 -14.592 1.00 0.00 O ATOM 1423 CB LYS A 96 2.079 2.781 -14.585 1.00 0.00 C ATOM 1424 CG LYS A 96 3.416 2.162 -14.954 1.00 0.00 C ATOM 1425 CD LYS A 96 3.295 1.257 -16.169 1.00 0.00 C ATOM 1426 CE LYS A 96 2.998 -0.178 -15.767 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.536 -0.995 -16.924 1.00 0.00 N ATOM 0 H LYS A 96 0.666 2.893 -12.547 1.00 0.00 H new ATOM 0 HA LYS A 96 3.182 3.853 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.426 2.004 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.604 3.164 -15.488 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.140 2.951 -15.158 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.798 1.589 -14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.502 1.625 -16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.221 1.291 -16.743 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.894 -0.628 -15.340 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.235 -0.186 -14.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.344 -1.967 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.667 -0.581 -17.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.274 -1.009 -17.656 1.00 0.00 H new ATOM 1441 N LYS A 97 0.687 5.593 -14.338 1.00 0.00 N ATOM 1442 CA LYS A 97 0.248 6.857 -14.902 1.00 0.00 C ATOM 1443 C LYS A 97 0.343 7.955 -13.848 1.00 0.00 C ATOM 1444 O LYS A 97 0.704 9.094 -14.155 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.186 6.745 -15.424 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.445 7.572 -16.672 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.668 7.075 -17.427 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.678 8.190 -17.645 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.135 9.270 -18.514 1.00 0.00 N ATOM 0 H LYS A 97 -0.076 4.990 -14.029 1.00 0.00 H new ATOM 0 HA LYS A 97 0.898 7.111 -15.740 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.405 5.699 -15.639 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.875 7.060 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.587 8.616 -16.394 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.572 7.531 -17.324 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.362 6.667 -18.390 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.135 6.263 -16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.580 7.779 -18.098 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.968 8.610 -16.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.904 9.913 -18.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.409 9.802 -17.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.712 8.850 -19.366 1.00 0.00 H new ATOM 1463 N ILE A 98 0.034 7.603 -12.600 1.00 0.00 N ATOM 1464 CA ILE A 98 0.102 8.560 -11.504 1.00 0.00 C ATOM 1465 C ILE A 98 1.520 9.113 -11.366 1.00 0.00 C ATOM 1466 O ILE A 98 1.724 10.326 -11.307 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.351 7.946 -10.162 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.823 7.527 -10.240 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.150 8.946 -9.031 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.288 6.720 -9.046 1.00 0.00 C ATOM 0 H ILE A 98 -0.264 6.666 -12.327 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.585 9.370 -11.746 1.00 0.00 H new ATOM 0 HB ILE A 98 0.255 7.062 -9.961 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.442 8.420 -10.328 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.978 6.941 -11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.473 8.501 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.905 9.212 -8.963 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.738 9.842 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.339 6.459 -9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.694 5.809 -8.969 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.166 7.310 -8.138 1.00 0.00 H new ATOM 1482 N VAL A 99 2.492 8.208 -11.315 1.00 0.00 N ATOM 1483 CA VAL A 99 3.894 8.582 -11.185 1.00 0.00 C ATOM 1484 C VAL A 99 4.432 9.176 -12.482 1.00 0.00 C ATOM 1485 O VAL A 99 5.364 9.980 -12.463 1.00 0.00 O ATOM 1486 CB VAL A 99 4.762 7.382 -10.761 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.132 6.519 -11.959 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.008 7.859 -10.032 1.00 0.00 C ATOM 0 H VAL A 99 2.331 7.202 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 99 3.948 9.341 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 99 4.177 6.766 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.745 5.680 -11.628 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.224 6.142 -12.430 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.693 7.116 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.610 6.999 -9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.591 8.503 -10.691 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.718 8.418 -9.142 1.00 0.00 H new ATOM 1498 N SER A 100 3.825 8.802 -13.609 1.00 0.00 N ATOM 1499 CA SER A 100 4.242 9.335 -14.900 1.00 0.00 C ATOM 1500 C SER A 100 3.597 10.697 -15.126 1.00 0.00 C ATOM 1501 O SER A 100 3.911 11.401 -16.086 1.00 0.00 O ATOM 1502 CB SER A 100 3.856 8.379 -16.030 1.00 0.00 C ATOM 1503 OG SER A 100 4.942 7.539 -16.381 1.00 0.00 O ATOM 0 H SER A 100 3.051 8.139 -13.652 1.00 0.00 H new ATOM 0 HA SER A 100 5.327 9.444 -14.898 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.006 7.770 -15.721 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.538 8.951 -16.902 1.00 0.00 H new ATOM 0 HG SER A 100 4.669 6.936 -17.104 1.00 0.00 H new ATOM 1509 N ASP A 101 2.688 11.056 -14.221 1.00 0.00 N ATOM 1510 CA ASP A 101 1.983 12.330 -14.298 1.00 0.00 C ATOM 1511 C ASP A 101 2.658 13.384 -13.423 1.00 0.00 C ATOM 1512 O ASP A 101 2.250 14.547 -13.415 1.00 0.00 O ATOM 1513 CB ASP A 101 0.524 12.156 -13.870 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.442 12.344 -15.022 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.686 11.364 -15.759 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -0.954 13.470 -15.189 1.00 0.00 O ATOM 0 H ASP A 101 2.423 10.478 -13.423 1.00 0.00 H new ATOM 0 HA ASP A 101 2.015 12.670 -15.333 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.389 11.161 -13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.291 12.873 -13.083 1.00 0.00 H new ATOM 1521 N GLY A 102 3.693 12.977 -12.691 1.00 0.00 N ATOM 1522 CA GLY A 102 4.402 13.908 -11.831 1.00 0.00 C ATOM 1523 C GLY A 102 4.597 13.379 -10.421 1.00 0.00 C ATOM 1524 O GLY A 102 5.697 13.448 -9.873 1.00 0.00 O ATOM 0 H GLY A 102 4.052 12.022 -12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.376 14.129 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.851 14.847 -11.788 1.00 0.00 H new ATOM 1528 N ASN A 103 3.526 12.858 -9.831 1.00 0.00 N ATOM 1529 CA ASN A 103 3.578 12.320 -8.473 1.00 0.00 C ATOM 1530 C ASN A 103 4.569 11.164 -8.375 1.00 0.00 C ATOM 1531 O ASN A 103 4.226 10.016 -8.650 1.00 0.00 O ATOM 1532 CB ASN A 103 2.189 11.853 -8.041 1.00 0.00 C ATOM 1533 CG ASN A 103 1.157 12.961 -8.120 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.391 14.078 -7.658 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.005 12.655 -8.706 1.00 0.00 N ATOM 0 H ASN A 103 2.608 12.796 -10.272 1.00 0.00 H new ATOM 0 HA ASN A 103 3.915 13.115 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.875 11.022 -8.673 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.237 11.476 -7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.729 13.359 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.146 11.716 -9.075 1.00 0.00 H new ATOM 1542 N GLY A 104 5.799 11.476 -7.980 1.00 0.00 N ATOM 1543 CA GLY A 104 6.824 10.454 -7.857 1.00 0.00 C ATOM 1544 C GLY A 104 6.985 9.934 -6.438 1.00 0.00 C ATOM 1545 O GLY A 104 8.012 10.175 -5.805 1.00 0.00 O ATOM 0 H GLY A 104 6.105 12.419 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.579 9.621 -8.516 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.776 10.861 -8.198 1.00 0.00 H new ATOM 1549 N MET A 105 5.957 9.239 -5.941 1.00 0.00 N ATOM 1550 CA MET A 105 5.956 8.686 -4.588 1.00 0.00 C ATOM 1551 C MET A 105 5.534 9.755 -3.598 1.00 0.00 C ATOM 1552 O MET A 105 5.537 9.542 -2.386 1.00 0.00 O ATOM 1553 CB MET A 105 7.329 8.118 -4.203 1.00 0.00 C ATOM 1554 CG MET A 105 7.929 7.189 -5.250 1.00 0.00 C ATOM 1555 SD MET A 105 6.691 6.167 -6.071 1.00 0.00 S ATOM 1556 CE MET A 105 6.056 5.234 -4.683 1.00 0.00 C ATOM 0 H MET A 105 5.104 9.046 -6.466 1.00 0.00 H new ATOM 0 HA MET A 105 5.243 7.862 -4.562 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.017 8.945 -4.028 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.236 7.576 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.456 7.783 -5.997 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.669 6.544 -4.776 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.019 4.176 -4.942 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.709 5.374 -3.821 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.053 5.583 -4.439 1.00 0.00 H new ATOM 1566 N ASN A 106 5.173 10.912 -4.135 1.00 0.00 N ATOM 1567 CA ASN A 106 4.748 12.043 -3.330 1.00 0.00 C ATOM 1568 C ASN A 106 3.233 12.056 -3.140 1.00 0.00 C ATOM 1569 O ASN A 106 2.733 12.517 -2.114 1.00 0.00 O ATOM 1570 CB ASN A 106 5.198 13.333 -4.006 1.00 0.00 C ATOM 1571 CG ASN A 106 6.558 13.798 -3.528 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.503 13.012 -3.449 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.665 15.081 -3.205 1.00 0.00 N ATOM 0 H ASN A 106 5.167 11.091 -5.139 1.00 0.00 H new ATOM 0 HA ASN A 106 5.204 11.957 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.229 13.182 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.463 14.115 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.557 15.451 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.856 15.696 -3.286 1.00 0.00 H new ATOM 1580 N ALA A 107 2.507 11.547 -4.131 1.00 0.00 N ATOM 1581 CA ALA A 107 1.050 11.503 -4.062 1.00 0.00 C ATOM 1582 C ALA A 107 0.594 10.624 -2.908 1.00 0.00 C ATOM 1583 O ALA A 107 -0.465 10.847 -2.320 1.00 0.00 O ATOM 1584 CB ALA A 107 0.469 10.993 -5.371 1.00 0.00 C ATOM 0 H ALA A 107 2.902 11.161 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 107 0.687 12.516 -3.891 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.618 10.967 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.764 11.657 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 107 0.844 9.989 -5.569 1.00 0.00 H new ATOM 1590 N TRP A 108 1.406 9.624 -2.590 1.00 0.00 N ATOM 1591 CA TRP A 108 1.100 8.702 -1.507 1.00 0.00 C ATOM 1592 C TRP A 108 1.706 9.196 -0.196 1.00 0.00 C ATOM 1593 O TRP A 108 2.917 9.399 -0.091 1.00 0.00 O ATOM 1594 CB TRP A 108 1.606 7.305 -1.862 1.00 0.00 C ATOM 1595 CG TRP A 108 1.045 6.802 -3.161 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.119 6.111 -3.338 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.617 6.963 -4.466 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.303 5.828 -4.670 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.747 6.340 -5.384 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.778 7.572 -4.947 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.007 6.311 -6.754 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.033 7.542 -6.305 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.151 6.916 -7.195 1.00 0.00 C ATOM 0 H TRP A 108 2.285 9.431 -3.070 1.00 0.00 H new ATOM 0 HA TRP A 108 0.020 8.653 -1.371 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.694 7.321 -1.922 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.341 6.612 -1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.797 5.828 -2.546 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.094 5.319 -5.063 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.465 8.058 -4.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.329 5.828 -7.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.928 8.010 -6.687 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.379 6.911 -8.251 1.00 0.00 H new ATOM 1614 N VAL A 109 0.843 9.414 0.790 1.00 0.00 N ATOM 1615 CA VAL A 109 1.257 9.920 2.098 1.00 0.00 C ATOM 1616 C VAL A 109 2.012 8.890 2.926 1.00 0.00 C ATOM 1617 O VAL A 109 2.772 9.252 3.824 1.00 0.00 O ATOM 1618 CB VAL A 109 0.063 10.391 2.918 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.414 11.640 3.713 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.158 10.630 2.040 1.00 0.00 C ATOM 0 H VAL A 109 -0.160 9.246 0.708 1.00 0.00 H new ATOM 0 HA VAL A 109 1.924 10.754 1.878 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.190 9.597 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.453 11.959 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.240 11.421 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.707 12.436 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.991 10.965 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.928 11.393 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.431 9.703 1.536 1.00 0.00 H new ATOM 1630 N ALA A 110 1.815 7.615 2.631 1.00 0.00 N ATOM 1631 CA ALA A 110 2.503 6.563 3.369 1.00 0.00 C ATOM 1632 C ALA A 110 3.986 6.569 3.047 1.00 0.00 C ATOM 1633 O ALA A 110 4.813 6.182 3.872 1.00 0.00 O ATOM 1634 CB ALA A 110 1.891 5.205 3.064 1.00 0.00 C ATOM 0 H ALA A 110 1.192 7.284 1.894 1.00 0.00 H new ATOM 0 HA ALA A 110 2.384 6.757 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.419 4.434 3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.840 5.207 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.975 4.999 1.997 1.00 0.00 H new ATOM 1640 N TRP A 111 4.319 7.031 1.850 1.00 0.00 N ATOM 1641 CA TRP A 111 5.710 7.107 1.440 1.00 0.00 C ATOM 1642 C TRP A 111 6.349 8.362 2.019 1.00 0.00 C ATOM 1643 O TRP A 111 7.515 8.351 2.405 1.00 0.00 O ATOM 1644 CB TRP A 111 5.840 7.087 -0.086 1.00 0.00 C ATOM 1645 CG TRP A 111 7.262 7.092 -0.560 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.019 6.005 -0.891 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.101 8.239 -0.753 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.276 6.404 -1.277 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.350 7.770 -1.202 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.917 9.614 -0.591 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.409 8.628 -1.491 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.969 10.466 -0.878 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.200 9.970 -1.324 1.00 0.00 C ATOM 0 H TRP A 111 3.650 7.356 1.152 1.00 0.00 H new ATOM 0 HA TRP A 111 6.233 6.232 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.338 6.201 -0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.324 7.953 -0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.679 4.980 -0.855 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.031 5.784 -1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.971 10.005 -0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.360 8.248 -1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.838 11.531 -0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.001 10.661 -1.541 1.00 0.00 H new ATOM 1664 N ARG A 112 5.578 9.445 2.106 1.00 0.00 N ATOM 1665 CA ARG A 112 6.081 10.689 2.668 1.00 0.00 C ATOM 1666 C ARG A 112 5.788 10.750 4.161 1.00 0.00 C ATOM 1667 O ARG A 112 5.314 11.764 4.674 1.00 0.00 O ATOM 1668 CB ARG A 112 5.433 11.877 1.978 1.00 0.00 C ATOM 1669 CG ARG A 112 6.242 12.426 0.814 1.00 0.00 C ATOM 1670 CD ARG A 112 7.138 13.575 1.251 1.00 0.00 C ATOM 1671 NE ARG A 112 7.106 14.685 0.302 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.162 15.964 0.662 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.251 16.293 1.944 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.128 16.915 -0.261 1.00 0.00 N ATOM 0 H ARG A 112 4.607 9.482 1.795 1.00 0.00 H new ATOM 0 HA ARG A 112 7.159 10.726 2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.448 11.583 1.617 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.280 12.671 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.852 11.630 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.567 12.768 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.822 13.928 2.233 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.162 13.217 1.356 1.00 0.00 H new ATOM 0 HE ARG A 112 7.037 14.467 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.277 15.564 2.657 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.294 17.275 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.059 16.666 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.171 17.896 0.016 1.00 0.00 H new ATOM 1688 N ASN A 113 6.085 9.663 4.851 1.00 0.00 N ATOM 1689 CA ASN A 113 5.867 9.584 6.289 1.00 0.00 C ATOM 1690 C ASN A 113 6.817 8.576 6.923 1.00 0.00 C ATOM 1691 O ASN A 113 7.590 8.913 7.820 1.00 0.00 O ATOM 1692 CB ASN A 113 4.417 9.196 6.587 1.00 0.00 C ATOM 1693 CG ASN A 113 3.782 10.094 7.631 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.872 11.318 7.552 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.135 9.485 8.617 1.00 0.00 N ATOM 0 H ASN A 113 6.480 8.818 4.438 1.00 0.00 H new ATOM 0 HA ASN A 113 6.066 10.566 6.718 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.834 9.244 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.384 8.162 6.932 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.687 10.036 9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.086 8.466 8.642 1.00 0.00 H new ATOM 1702 N ARG A 114 6.740 7.336 6.458 1.00 0.00 N ATOM 1703 CA ARG A 114 7.578 6.269 6.984 1.00 0.00 C ATOM 1704 C ARG A 114 8.612 5.799 5.964 1.00 0.00 C ATOM 1705 O ARG A 114 9.307 4.808 6.190 1.00 0.00 O ATOM 1706 CB ARG A 114 6.708 5.089 7.412 1.00 0.00 C ATOM 1707 CG ARG A 114 6.262 5.154 8.864 1.00 0.00 C ATOM 1708 CD ARG A 114 7.338 4.628 9.800 1.00 0.00 C ATOM 1709 NE ARG A 114 8.096 5.710 10.424 1.00 0.00 N ATOM 1710 CZ ARG A 114 9.356 5.588 10.832 1.00 0.00 C ATOM 1711 NH1 ARG A 114 9.997 4.437 10.681 1.00 0.00 N ATOM 1712 NH2 ARG A 114 9.976 6.619 11.390 1.00 0.00 N ATOM 0 H ARG A 114 6.104 7.045 5.716 1.00 0.00 H new ATOM 0 HA ARG A 114 8.116 6.668 7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.827 5.048 6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.262 4.164 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.022 6.184 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.350 4.571 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.877 4.015 10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 114 8.018 3.982 9.244 1.00 0.00 H new ATOM 0 HE ARG A 114 7.633 6.609 10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.524 3.642 10.251 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.963 4.346 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 114 9.487 7.506 11.507 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.942 6.525 11.703 1.00 0.00 H new ATOM 1726 N CYS A 115 8.708 6.501 4.839 1.00 0.00 N ATOM 1727 CA CYS A 115 9.660 6.127 3.797 1.00 0.00 C ATOM 1728 C CYS A 115 10.712 7.207 3.576 1.00 0.00 C ATOM 1729 O CYS A 115 11.909 6.927 3.607 1.00 0.00 O ATOM 1730 CB CYS A 115 8.927 5.834 2.490 1.00 0.00 C ATOM 1731 SG CYS A 115 7.657 4.541 2.639 1.00 0.00 S ATOM 0 H CYS A 115 8.145 7.324 4.626 1.00 0.00 H new ATOM 0 HA CYS A 115 10.175 5.226 4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 115 8.459 6.751 2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.654 5.532 1.736 1.00 0.00 H new ATOM 1736 N LYS A 116 10.266 8.439 3.349 1.00 0.00 N ATOM 1737 CA LYS A 116 11.185 9.547 3.121 1.00 0.00 C ATOM 1738 C LYS A 116 12.017 9.827 4.369 1.00 0.00 C ATOM 1739 O LYS A 116 11.650 10.663 5.196 1.00 0.00 O ATOM 1740 CB LYS A 116 10.413 10.803 2.713 1.00 0.00 C ATOM 1741 CG LYS A 116 11.306 11.996 2.409 1.00 0.00 C ATOM 1742 CD LYS A 116 10.997 12.591 1.045 1.00 0.00 C ATOM 1743 CE LYS A 116 12.101 13.529 0.583 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.464 13.300 -0.842 1.00 0.00 N ATOM 0 H LYS A 116 9.279 8.694 3.318 1.00 0.00 H new ATOM 0 HA LYS A 116 11.860 9.268 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.809 10.578 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.723 11.071 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.172 12.757 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.351 11.688 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.871 11.789 0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.052 13.133 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.778 14.562 0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.982 13.389 1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.220 13.959 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.796 12.322 -0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.630 13.459 -1.443 1.00 0.00 H new ATOM 1758 N GLY A 117 13.136 9.124 4.498 1.00 0.00 N ATOM 1759 CA GLY A 117 14.000 9.312 5.647 1.00 0.00 C ATOM 1760 C GLY A 117 14.650 8.023 6.110 1.00 0.00 C ATOM 1761 O GLY A 117 15.462 8.032 7.035 1.00 0.00 O ATOM 0 H GLY A 117 13.460 8.427 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.776 10.036 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.420 9.736 6.467 1.00 0.00 H new ATOM 1765 N THR A 118 14.296 6.911 5.469 1.00 0.00 N ATOM 1766 CA THR A 118 14.856 5.613 5.827 1.00 0.00 C ATOM 1767 C THR A 118 15.569 4.982 4.632 1.00 0.00 C ATOM 1768 O THR A 118 16.146 5.687 3.803 1.00 0.00 O ATOM 1769 CB THR A 118 13.762 4.655 6.333 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.713 4.549 5.363 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.188 5.140 7.656 1.00 0.00 C ATOM 0 H THR A 118 13.625 6.884 4.701 1.00 0.00 H new ATOM 0 HA THR A 118 15.576 5.779 6.628 1.00 0.00 H new ATOM 0 HB THR A 118 14.213 3.675 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.023 3.937 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.417 4.447 7.994 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.982 5.190 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.753 6.130 7.523 1.00 0.00 H new ATOM 1779 N ASP A 119 15.530 3.654 4.545 1.00 0.00 N ATOM 1780 CA ASP A 119 16.178 2.945 3.447 1.00 0.00 C ATOM 1781 C ASP A 119 15.247 1.923 2.804 1.00 0.00 C ATOM 1782 O ASP A 119 15.036 0.835 3.339 1.00 0.00 O ATOM 1783 CB ASP A 119 17.435 2.265 3.930 1.00 0.00 C ATOM 1784 CG ASP A 119 18.491 2.156 2.848 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.903 3.208 2.314 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.907 1.021 2.535 1.00 0.00 O ATOM 0 H ASP A 119 15.059 3.051 5.219 1.00 0.00 H new ATOM 0 HA ASP A 119 16.436 3.684 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.842 2.820 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.188 1.267 4.293 1.00 0.00 H new ATOM 1791 N VAL A 120 14.703 2.284 1.648 1.00 0.00 N ATOM 1792 CA VAL A 120 13.801 1.410 0.911 1.00 0.00 C ATOM 1793 C VAL A 120 14.581 0.292 0.237 1.00 0.00 C ATOM 1794 O VAL A 120 14.075 -0.819 0.074 1.00 0.00 O ATOM 1795 CB VAL A 120 13.007 2.189 -0.154 1.00 0.00 C ATOM 1796 CG1 VAL A 120 11.989 3.106 0.503 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.948 2.980 -1.051 1.00 0.00 C ATOM 0 H VAL A 120 14.873 3.184 1.199 1.00 0.00 H new ATOM 0 HA VAL A 120 13.098 0.987 1.628 1.00 0.00 H new ATOM 0 HB VAL A 120 12.469 1.472 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.438 3.648 -0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.294 2.512 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.504 3.817 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.368 3.524 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.517 3.687 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.634 2.296 -1.552 1.00 0.00 H new ATOM 1807 N GLN A 121 15.823 0.587 -0.136 1.00 0.00 N ATOM 1808 CA GLN A 121 16.678 -0.404 -0.770 1.00 0.00 C ATOM 1809 C GLN A 121 16.866 -1.580 0.175 1.00 0.00 C ATOM 1810 O GLN A 121 17.163 -2.698 -0.246 1.00 0.00 O ATOM 1811 CB GLN A 121 18.033 0.207 -1.132 1.00 0.00 C ATOM 1812 CG GLN A 121 18.831 -0.627 -2.122 1.00 0.00 C ATOM 1813 CD GLN A 121 19.157 0.131 -3.393 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.293 0.785 -3.979 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.408 0.046 -3.830 1.00 0.00 N ATOM 0 H GLN A 121 16.256 1.502 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 121 16.206 -0.748 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 121 17.874 1.200 -1.552 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.619 0.335 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.758 -0.955 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.266 -1.525 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 121 21.092 -0.507 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.685 0.534 -4.682 1.00 0.00 H new ATOM 1824 N ALA A 122 16.668 -1.309 1.462 1.00 0.00 N ATOM 1825 CA ALA A 122 16.789 -2.328 2.491 1.00 0.00 C ATOM 1826 C ALA A 122 15.447 -3.010 2.721 1.00 0.00 C ATOM 1827 O ALA A 122 15.387 -4.129 3.228 1.00 0.00 O ATOM 1828 CB ALA A 122 17.305 -1.716 3.785 1.00 0.00 C ATOM 0 H ALA A 122 16.421 -0.384 1.815 1.00 0.00 H new ATOM 0 HA ALA A 122 17.505 -3.078 2.155 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.390 -2.492 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.284 -1.269 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.611 -0.948 4.126 1.00 0.00 H new ATOM 1834 N TRP A 123 14.367 -2.328 2.333 1.00 0.00 N ATOM 1835 CA TRP A 123 13.024 -2.883 2.490 1.00 0.00 C ATOM 1836 C TRP A 123 12.870 -4.168 1.681 1.00 0.00 C ATOM 1837 O TRP A 123 11.950 -4.953 1.912 1.00 0.00 O ATOM 1838 CB TRP A 123 11.964 -1.868 2.058 1.00 0.00 C ATOM 1839 CG TRP A 123 11.487 -0.982 3.170 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.284 0.365 3.109 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.147 -1.377 4.507 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.844 0.830 4.324 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.754 -0.225 5.195 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.138 -2.592 5.190 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.359 -0.259 6.525 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.745 -2.624 6.510 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.359 -1.462 7.166 1.00 0.00 C ATOM 0 H TRP A 123 14.396 -1.399 1.912 1.00 0.00 H new ATOM 0 HA TRP A 123 12.880 -3.114 3.546 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.372 -1.247 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.111 -2.403 1.640 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.446 0.977 2.234 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.621 1.801 4.543 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.437 -3.501 4.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.060 0.643 7.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.737 -3.564 7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.054 -1.513 8.201 1.00 0.00 H new ATOM 1858 N ILE A 124 13.781 -4.375 0.734 1.00 0.00 N ATOM 1859 CA ILE A 124 13.754 -5.565 -0.110 1.00 0.00 C ATOM 1860 C ILE A 124 15.093 -6.292 -0.066 1.00 0.00 C ATOM 1861 O ILE A 124 15.359 -7.178 -0.877 1.00 0.00 O ATOM 1862 CB ILE A 124 13.420 -5.212 -1.572 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.335 -4.095 -2.075 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.959 -4.807 -1.698 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.936 -4.373 -3.435 1.00 0.00 C ATOM 0 H ILE A 124 14.548 -3.733 0.532 1.00 0.00 H new ATOM 0 HA ILE A 124 12.973 -6.217 0.282 1.00 0.00 H new ATOM 0 HB ILE A 124 13.587 -6.095 -2.190 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.768 -3.165 -2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.139 -3.943 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.738 -4.560 -2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.324 -5.633 -1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.767 -3.937 -1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.573 -3.539 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.530 -5.286 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.138 -4.495 -4.167 1.00 0.00 H new ATOM 1877 N ARG A 125 15.933 -5.905 0.889 1.00 0.00 N ATOM 1878 CA ARG A 125 17.250 -6.512 1.049 1.00 0.00 C ATOM 1879 C ARG A 125 17.128 -7.978 1.450 1.00 0.00 C ATOM 1880 O ARG A 125 16.897 -8.295 2.617 1.00 0.00 O ATOM 1881 CB ARG A 125 18.063 -5.749 2.095 1.00 0.00 C ATOM 1882 CG ARG A 125 19.551 -5.697 1.790 1.00 0.00 C ATOM 1883 CD ARG A 125 19.873 -4.623 0.764 1.00 0.00 C ATOM 1884 NE ARG A 125 19.986 -3.300 1.373 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.145 -2.722 1.674 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.287 -3.349 1.423 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.163 -1.518 2.227 1.00 0.00 N ATOM 0 H ARG A 125 15.724 -5.171 1.566 1.00 0.00 H new ATOM 0 HA ARG A 125 17.766 -6.459 0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.680 -4.731 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.916 -6.216 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.105 -5.502 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.881 -6.667 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.807 -4.871 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.095 -4.606 0.001 1.00 0.00 H new ATOM 0 HE ARG A 125 19.127 -2.791 1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.277 -4.276 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.175 -2.904 1.655 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.287 -1.033 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.053 -1.076 2.457 1.00 0.00 H new ATOM 1901 N GLY A 126 17.287 -8.869 0.475 1.00 0.00 N ATOM 1902 CA GLY A 126 17.194 -10.292 0.747 1.00 0.00 C ATOM 1903 C GLY A 126 16.016 -10.942 0.047 1.00 0.00 C ATOM 1904 O GLY A 126 15.829 -12.156 0.130 1.00 0.00 O ATOM 0 H GLY A 126 17.479 -8.631 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.115 -10.780 0.430 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.105 -10.448 1.822 1.00 0.00 H new ATOM 1908 N CYS A 127 15.218 -10.132 -0.642 1.00 0.00 N ATOM 1909 CA CYS A 127 14.052 -10.629 -1.357 1.00 0.00 C ATOM 1910 C CYS A 127 14.450 -11.567 -2.490 1.00 0.00 C ATOM 1911 O CYS A 127 15.623 -11.911 -2.644 1.00 0.00 O ATOM 1912 CB CYS A 127 13.243 -9.467 -1.897 1.00 0.00 C ATOM 1913 SG CYS A 127 11.952 -8.865 -0.762 1.00 0.00 S ATOM 0 H CYS A 127 15.360 -9.125 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 127 13.442 -11.198 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.920 -8.644 -2.129 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.775 -9.769 -2.834 1.00 0.00 H new ATOM 1918 N ARG A 128 13.466 -11.981 -3.281 1.00 0.00 N ATOM 1919 CA ARG A 128 13.713 -12.883 -4.401 1.00 0.00 C ATOM 1920 C ARG A 128 13.091 -12.343 -5.685 1.00 0.00 C ATOM 1921 O ARG A 128 12.017 -12.781 -6.100 1.00 0.00 O ATOM 1922 CB ARG A 128 13.156 -14.274 -4.096 1.00 0.00 C ATOM 1923 CG ARG A 128 13.980 -15.404 -4.689 1.00 0.00 C ATOM 1924 CD ARG A 128 14.159 -16.543 -3.698 1.00 0.00 C ATOM 1925 NE ARG A 128 15.337 -17.351 -4.000 1.00 0.00 N ATOM 1926 CZ ARG A 128 16.572 -17.022 -3.627 1.00 0.00 C ATOM 1927 NH1 ARG A 128 16.787 -15.907 -2.942 1.00 0.00 N ATOM 1928 NH2 ARG A 128 17.592 -17.811 -3.939 1.00 0.00 N ATOM 0 H ARG A 128 12.490 -11.707 -3.168 1.00 0.00 H new ATOM 0 HA ARG A 128 14.791 -12.955 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.100 -14.405 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.137 -14.340 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 128 13.493 -15.777 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.957 -15.025 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.247 -16.136 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.272 -17.177 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 128 15.207 -18.215 -4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.005 -15.299 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG A 128 17.734 -15.658 -2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.430 -18.670 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.538 -17.559 -3.653 1.00 0.00 H new ATOM 1942 N LEU A 129 13.774 -11.389 -6.312 1.00 0.00 N ATOM 1943 CA LEU A 129 13.288 -10.789 -7.549 1.00 0.00 C ATOM 1944 C LEU A 129 14.433 -10.150 -8.329 1.00 0.00 C ATOM 1945 O LEU A 129 15.424 -9.736 -7.691 1.00 0.00 O ATOM 1946 CB LEU A 129 12.214 -9.741 -7.249 1.00 0.00 C ATOM 1947 CG LEU A 129 12.550 -8.779 -6.107 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.543 -7.342 -6.603 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.568 -8.954 -4.959 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.331 -10.070 -9.571 1.00 0.00 O ATOM 0 H LEU A 129 14.665 -11.016 -5.983 1.00 0.00 H new ATOM 0 HA LEU A 129 12.851 -11.580 -8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.033 -9.159 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.283 -10.255 -7.009 1.00 0.00 H new ATOM 0 HG LEU A 129 13.550 -9.011 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.784 -6.671 -5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.285 -7.226 -7.393 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.555 -7.097 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.821 -8.263 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.557 -8.748 -5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.621 -9.977 -4.588 1.00 0.00 H new