USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=29 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= -1.79 K(o=-1.8,f=-3.6!) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc=-0.00955 USER MOD Set 2.1: A 74 ASN : amide:sc= -5.59! C(o=-5.8!,f=-9.4!) USER MOD Set 2.2: A 77 ASN : amide:sc= -0.213 K(o=-5.8,f=-6.9) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 SER OG : rot -30:sc= 1.16 USER MOD Set 4.2: A 27 ASN :FLIP amide:sc= -1.38! C(o=-5.6!,f=-0.22!) USER MOD Single : A 1 LYS N :NH3+ -125:sc= -0.412 (180deg=-2.5!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -165:sc= -11.1! (180deg=-11.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.099 K(o=-0.099,f=-0.62) 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+ 167:sc= 0 (180deg=-0.0466) USER MOD Single : A 36 SER OG : rot -90:sc= -2.67! USER MOD Single : A 37 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -4.02! C(o=-7.3!,f=-4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.207 K(o=-0.21,f=-0.98) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.242 X(o=0.24,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 :FLIP amide:sc= -2.04! C(o=-3.2!,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -4.94! C(o=-4.9!,f=-9.2!) USER MOD Single : A 60 SER OG : rot -106:sc= 1.18 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 72 SER OG : rot 116:sc= 0.099 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.018 USER MOD Single : A 86 SER OG : rot 70:sc= -1.09 USER MOD Single : A 91 SER OG : rot -173:sc= -2.38! USER MOD Single : A 93 ASN :FLIP amide:sc= -0.194 F(o=-1.2,f=-0.19) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -35:sc= 0.147 USER MOD Single : A 103 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.095) USER MOD Single : A 105 MET CE :methyl -152:sc= -1.17 (180deg=-3.71) USER MOD Single : A 106 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.42) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -57:sc= 0.341 USER MOD Single : A 121 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.287 -9.393 0.972 1.00 0.00 N ATOM 2 CA LYS A 1 -6.039 -10.067 0.528 1.00 0.00 C ATOM 3 C LYS A 1 -4.848 -9.116 0.584 1.00 0.00 C ATOM 4 O LYS A 1 -4.811 -8.110 -0.124 1.00 0.00 O ATOM 5 CB LYS A 1 -6.242 -10.575 -0.901 1.00 0.00 C ATOM 6 CG LYS A 1 -6.341 -12.089 -0.999 1.00 0.00 C ATOM 7 CD LYS A 1 -7.754 -12.574 -0.722 1.00 0.00 C ATOM 8 CE LYS A 1 -8.444 -13.036 -1.995 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.798 -14.481 -1.943 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.720 -9.938 1.745 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.063 -8.434 1.308 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.952 -9.334 0.175 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.825 -10.900 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.150 -10.132 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.414 -10.232 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.033 -12.411 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.652 -12.546 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.724 -13.394 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.332 -11.771 -0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.347 -12.447 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.791 -12.853 -2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.266 -14.756 -2.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.934 -15.046 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.442 -14.652 -1.144 1.00 0.00 H new ATOM 25 N VAL A 2 -3.877 -9.442 1.432 1.00 0.00 N ATOM 26 CA VAL A 2 -2.684 -8.618 1.581 1.00 0.00 C ATOM 27 C VAL A 2 -1.453 -9.322 1.019 1.00 0.00 C ATOM 28 O VAL A 2 -1.174 -10.470 1.366 1.00 0.00 O ATOM 29 CB VAL A 2 -2.422 -8.262 3.061 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.106 -7.518 3.214 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.561 -7.432 3.625 1.00 0.00 C ATOM 0 H VAL A 2 -3.894 -10.271 2.026 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.866 -7.701 1.020 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.360 -9.194 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.944 -7.278 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.290 -8.145 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.139 -6.597 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.355 -7.193 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.656 -6.509 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.491 -7.997 3.559 1.00 0.00 H new ATOM 41 N PHE A 3 -0.701 -8.623 0.169 1.00 0.00 N ATOM 42 CA PHE A 3 0.513 -9.186 -0.407 1.00 0.00 C ATOM 43 C PHE A 3 1.644 -9.154 0.612 1.00 0.00 C ATOM 44 O PHE A 3 1.478 -8.652 1.724 1.00 0.00 O ATOM 45 CB PHE A 3 0.950 -8.395 -1.644 1.00 0.00 C ATOM 46 CG PHE A 3 -0.021 -8.419 -2.789 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.089 -9.302 -2.812 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.145 -7.547 -3.850 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.970 -9.313 -3.876 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.731 -7.553 -4.914 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.791 -8.436 -4.928 1.00 0.00 C ATOM 0 H PHE A 3 -0.912 -7.672 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 3 0.296 -10.215 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.119 -7.358 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.906 -8.789 -1.990 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.234 -9.988 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.972 -6.852 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.798 -10.007 -3.885 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.588 -6.867 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.480 -8.441 -5.760 1.00 0.00 H new ATOM 61 N GLY A 4 2.796 -9.676 0.218 1.00 0.00 N ATOM 62 CA GLY A 4 3.948 -9.683 1.096 1.00 0.00 C ATOM 63 C GLY A 4 4.948 -8.614 0.707 1.00 0.00 C ATOM 64 O GLY A 4 4.569 -7.562 0.192 1.00 0.00 O ATOM 0 H GLY A 4 2.954 -10.096 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.624 -9.523 2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.427 -10.661 1.061 1.00 0.00 H new ATOM 68 N ARG A 5 6.227 -8.876 0.948 1.00 0.00 N ATOM 69 CA ARG A 5 7.274 -7.919 0.609 1.00 0.00 C ATOM 70 C ARG A 5 7.799 -8.156 -0.797 1.00 0.00 C ATOM 71 O ARG A 5 7.742 -7.264 -1.644 1.00 0.00 O ATOM 72 CB ARG A 5 8.418 -7.994 1.621 1.00 0.00 C ATOM 73 CG ARG A 5 8.169 -7.187 2.884 1.00 0.00 C ATOM 74 CD ARG A 5 7.288 -7.943 3.865 1.00 0.00 C ATOM 75 NE ARG A 5 7.763 -9.306 4.090 1.00 0.00 N ATOM 76 CZ ARG A 5 8.268 -9.730 5.244 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.363 -8.902 6.275 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.677 -10.986 5.369 1.00 0.00 N ATOM 0 H ARG A 5 6.564 -9.739 1.375 1.00 0.00 H new ATOM 0 HA ARG A 5 6.838 -6.920 0.645 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.583 -9.037 1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.334 -7.639 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.121 -6.949 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.696 -6.240 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.260 -7.408 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.266 -7.973 3.486 1.00 0.00 H new ATOM 0 HE ARG A 5 7.704 -9.970 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.048 -7.936 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.751 -9.231 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.604 -11.627 4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.064 -11.310 6.255 1.00 0.00 H new ATOM 92 N CYS A 6 8.314 -9.352 -1.047 1.00 0.00 N ATOM 93 CA CYS A 6 8.845 -9.671 -2.361 1.00 0.00 C ATOM 94 C CYS A 6 7.742 -10.103 -3.310 1.00 0.00 C ATOM 95 O CYS A 6 7.789 -9.785 -4.490 1.00 0.00 O ATOM 96 CB CYS A 6 9.911 -10.751 -2.279 1.00 0.00 C ATOM 97 SG CYS A 6 10.849 -10.761 -0.717 1.00 0.00 S ATOM 0 H CYS A 6 8.374 -10.108 -0.365 1.00 0.00 H new ATOM 0 HA CYS A 6 9.303 -8.762 -2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.437 -11.724 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.608 -10.621 -3.107 1.00 0.00 H new ATOM 102 N GLU A 7 6.744 -10.815 -2.795 1.00 0.00 N ATOM 103 CA GLU A 7 5.636 -11.254 -3.633 1.00 0.00 C ATOM 104 C GLU A 7 5.180 -10.090 -4.498 1.00 0.00 C ATOM 105 O GLU A 7 5.133 -10.184 -5.729 1.00 0.00 O ATOM 106 CB GLU A 7 4.478 -11.767 -2.776 1.00 0.00 C ATOM 107 CG GLU A 7 4.716 -13.151 -2.197 1.00 0.00 C ATOM 108 CD GLU A 7 3.439 -13.805 -1.705 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.738 -13.188 -0.877 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.142 -14.935 -2.148 1.00 0.00 O ATOM 0 H GLU A 7 6.680 -11.096 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 7 5.969 -12.075 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.303 -11.066 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.571 -11.786 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.175 -13.784 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.424 -13.079 -1.372 1.00 0.00 H new ATOM 117 N LEU A 8 4.882 -8.975 -3.843 1.00 0.00 N ATOM 118 CA LEU A 8 4.467 -7.780 -4.547 1.00 0.00 C ATOM 119 C LEU A 8 5.619 -7.228 -5.376 1.00 0.00 C ATOM 120 O LEU A 8 5.400 -6.756 -6.487 1.00 0.00 O ATOM 121 CB LEU A 8 3.970 -6.703 -3.579 1.00 0.00 C ATOM 122 CG LEU A 8 3.850 -5.303 -4.191 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.652 -5.226 -5.127 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.746 -4.244 -3.105 1.00 0.00 C ATOM 0 H LEU A 8 4.921 -8.878 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 8 3.643 -8.056 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.995 -7.001 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.649 -6.656 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 8 4.753 -5.110 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.585 -4.224 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.771 -5.953 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.741 -5.446 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.662 -3.259 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.865 -4.436 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.637 -4.277 -2.478 1.00 0.00 H new ATOM 136 N ALA A 9 6.851 -7.294 -4.844 1.00 0.00 N ATOM 137 CA ALA A 9 8.011 -6.787 -5.573 1.00 0.00 C ATOM 138 C ALA A 9 8.166 -7.489 -6.913 1.00 0.00 C ATOM 139 O ALA A 9 8.232 -6.837 -7.953 1.00 0.00 O ATOM 140 CB ALA A 9 9.275 -6.931 -4.746 1.00 0.00 C ATOM 0 H ALA A 9 7.061 -7.688 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 9 7.846 -5.727 -5.764 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.125 -6.547 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.170 -6.367 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.440 -7.983 -4.514 1.00 0.00 H new ATOM 146 N ALA A 10 8.209 -8.819 -6.890 1.00 0.00 N ATOM 147 CA ALA A 10 8.333 -9.589 -8.113 1.00 0.00 C ATOM 148 C ALA A 10 7.287 -9.119 -9.106 1.00 0.00 C ATOM 149 O ALA A 10 7.560 -8.983 -10.300 1.00 0.00 O ATOM 150 CB ALA A 10 8.174 -11.075 -7.830 1.00 0.00 C ATOM 0 H ALA A 10 8.160 -9.379 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 10 9.326 -9.435 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.270 -11.635 -8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.946 -11.397 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.192 -11.260 -7.396 1.00 0.00 H new ATOM 156 N ALA A 11 6.088 -8.849 -8.596 1.00 0.00 N ATOM 157 CA ALA A 11 5.005 -8.365 -9.435 1.00 0.00 C ATOM 158 C ALA A 11 5.353 -7.009 -10.012 1.00 0.00 C ATOM 159 O ALA A 11 5.062 -6.709 -11.170 1.00 0.00 O ATOM 160 CB ALA A 11 3.701 -8.308 -8.655 1.00 0.00 C ATOM 0 H ALA A 11 5.847 -8.958 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 11 4.868 -9.063 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.905 -7.943 -9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.448 -9.306 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.814 -7.635 -7.805 1.00 0.00 H new ATOM 166 N MET A 12 5.989 -6.208 -9.188 1.00 0.00 N ATOM 167 CA MET A 12 6.413 -4.865 -9.582 1.00 0.00 C ATOM 168 C MET A 12 7.366 -4.940 -10.766 1.00 0.00 C ATOM 169 O MET A 12 7.182 -4.252 -11.769 1.00 0.00 O ATOM 170 CB MET A 12 7.118 -4.145 -8.431 1.00 0.00 C ATOM 171 CG MET A 12 6.402 -4.246 -7.099 1.00 0.00 C ATOM 172 SD MET A 12 4.731 -3.581 -7.160 1.00 0.00 S ATOM 173 CE MET A 12 5.088 -1.840 -7.355 1.00 0.00 C ATOM 0 H MET A 12 6.230 -6.458 -8.229 1.00 0.00 H new ATOM 0 HA MET A 12 5.518 -4.307 -9.856 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.122 -4.555 -8.322 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.230 -3.092 -8.691 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.362 -5.291 -6.790 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.975 -3.711 -6.341 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.190 -1.259 -7.145 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.878 -1.551 -6.662 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.414 -1.648 -8.377 1.00 0.00 H new ATOM 183 N LYS A 13 8.387 -5.785 -10.633 1.00 0.00 N ATOM 184 CA LYS A 13 9.377 -5.960 -11.687 1.00 0.00 C ATOM 185 C LYS A 13 8.684 -6.226 -13.012 1.00 0.00 C ATOM 186 O LYS A 13 8.988 -5.597 -14.026 1.00 0.00 O ATOM 187 CB LYS A 13 10.322 -7.112 -11.347 1.00 0.00 C ATOM 188 CG LYS A 13 11.580 -7.140 -12.200 1.00 0.00 C ATOM 189 CD LYS A 13 12.054 -8.563 -12.450 1.00 0.00 C ATOM 190 CE LYS A 13 11.715 -9.024 -13.858 1.00 0.00 C ATOM 191 NZ LYS A 13 12.140 -10.430 -14.100 1.00 0.00 N ATOM 0 H LYS A 13 8.548 -6.358 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 13 9.963 -5.045 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.607 -7.040 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.790 -8.055 -11.469 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.385 -6.648 -13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.369 -6.575 -11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.132 -8.621 -12.297 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.593 -9.234 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.641 -8.937 -14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.200 -8.369 -14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.891 -10.706 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.169 -10.509 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.658 -11.059 -13.427 1.00 0.00 H new ATOM 205 N ARG A 14 7.739 -7.158 -12.991 1.00 0.00 N ATOM 206 CA ARG A 14 6.989 -7.505 -14.184 1.00 0.00 C ATOM 207 C ARG A 14 6.184 -6.306 -14.662 1.00 0.00 C ATOM 208 O ARG A 14 6.058 -6.070 -15.863 1.00 0.00 O ATOM 209 CB ARG A 14 6.058 -8.686 -13.906 1.00 0.00 C ATOM 210 CG ARG A 14 6.787 -9.948 -13.474 1.00 0.00 C ATOM 211 CD ARG A 14 6.551 -11.089 -14.451 1.00 0.00 C ATOM 212 NE ARG A 14 6.271 -12.346 -13.765 1.00 0.00 N ATOM 213 CZ ARG A 14 5.157 -13.052 -13.943 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.223 -12.623 -14.782 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.977 -14.187 -13.282 1.00 0.00 N ATOM 0 H ARG A 14 7.476 -7.685 -12.158 1.00 0.00 H new ATOM 0 HA ARG A 14 7.692 -7.794 -14.965 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.348 -8.403 -13.129 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.479 -8.901 -14.804 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.855 -9.745 -13.401 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.449 -10.243 -12.480 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.716 -10.839 -15.105 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.429 -11.210 -15.086 1.00 0.00 H new ATOM 0 HE ARG A 14 6.968 -12.704 -13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.358 -11.750 -15.292 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.370 -13.166 -14.917 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.693 -14.520 -12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.123 -14.727 -13.419 1.00 0.00 H new ATOM 229 N HIS A 15 5.612 -5.565 -13.713 1.00 0.00 N ATOM 230 CA HIS A 15 4.788 -4.411 -14.038 1.00 0.00 C ATOM 231 C HIS A 15 5.625 -3.199 -14.434 1.00 0.00 C ATOM 232 O HIS A 15 5.077 -2.189 -14.876 1.00 0.00 O ATOM 233 CB HIS A 15 3.903 -4.054 -12.844 1.00 0.00 C ATOM 234 CG HIS A 15 2.587 -4.769 -12.835 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.011 -5.270 -11.687 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.731 -5.065 -13.843 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.860 -5.843 -11.988 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.667 -5.732 -13.290 1.00 0.00 N ATOM 0 H HIS A 15 5.707 -5.747 -12.714 1.00 0.00 H new ATOM 0 HA HIS A 15 4.171 -4.681 -14.895 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.439 -4.286 -11.924 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.722 -2.979 -12.845 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.412 -5.208 -10.751 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.862 -4.821 -14.887 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.190 -6.321 -11.289 1.00 0.00 H new ATOM 247 N GLY A 16 6.949 -3.302 -14.331 1.00 0.00 N ATOM 248 CA GLY A 16 7.807 -2.207 -14.745 1.00 0.00 C ATOM 249 C GLY A 16 7.892 -1.039 -13.778 1.00 0.00 C ATOM 250 O GLY A 16 8.193 0.075 -14.207 1.00 0.00 O ATOM 0 H GLY A 16 7.439 -4.120 -13.970 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.812 -2.597 -14.905 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.453 -1.835 -15.706 1.00 0.00 H new ATOM 254 N LEU A 17 7.637 -1.248 -12.486 1.00 0.00 N ATOM 255 CA LEU A 17 7.716 -0.131 -11.547 1.00 0.00 C ATOM 256 C LEU A 17 9.117 0.006 -10.981 1.00 0.00 C ATOM 257 O LEU A 17 9.414 0.940 -10.240 1.00 0.00 O ATOM 258 CB LEU A 17 6.706 -0.273 -10.404 1.00 0.00 C ATOM 259 CG LEU A 17 5.333 -0.850 -10.769 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.255 -0.219 -9.903 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.999 -0.636 -12.241 1.00 0.00 C ATOM 0 H LEU A 17 7.383 -2.147 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 17 7.469 0.771 -12.108 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.148 -0.907 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.555 0.710 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 17 5.371 -1.924 -10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.284 -0.635 -10.170 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.463 -0.427 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.244 0.859 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.018 -1.060 -12.457 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.989 0.432 -12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.750 -1.127 -12.860 1.00 0.00 H new ATOM 273 N ASP A 18 9.974 -0.924 -11.342 1.00 0.00 N ATOM 274 CA ASP A 18 11.353 -0.903 -10.872 1.00 0.00 C ATOM 275 C ASP A 18 12.146 0.194 -11.579 1.00 0.00 C ATOM 276 O ASP A 18 12.662 0.005 -12.681 1.00 0.00 O ATOM 277 CB ASP A 18 12.013 -2.271 -11.063 1.00 0.00 C ATOM 278 CG ASP A 18 13.518 -2.180 -11.231 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.201 -1.789 -10.261 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.014 -2.501 -12.331 1.00 0.00 O ATOM 0 H ASP A 18 9.747 -1.705 -11.958 1.00 0.00 H new ATOM 0 HA ASP A 18 11.348 -0.681 -9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.786 -2.902 -10.204 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.583 -2.758 -11.939 1.00 0.00 H new ATOM 285 N ASN A 19 12.225 1.344 -10.919 1.00 0.00 N ATOM 286 CA ASN A 19 12.942 2.509 -11.433 1.00 0.00 C ATOM 287 C ASN A 19 12.296 3.040 -12.694 1.00 0.00 C ATOM 288 O ASN A 19 12.970 3.544 -13.592 1.00 0.00 O ATOM 289 CB ASN A 19 14.415 2.176 -11.684 1.00 0.00 C ATOM 290 CG ASN A 19 15.352 3.161 -11.012 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.159 2.785 -10.162 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.249 4.430 -11.391 1.00 0.00 N ATOM 0 H ASN A 19 11.792 1.497 -10.008 1.00 0.00 H new ATOM 0 HA ASN A 19 12.890 3.289 -10.674 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.625 1.171 -11.318 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.606 2.171 -12.757 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.853 5.138 -10.974 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.565 4.697 -12.100 1.00 0.00 H new ATOM 299 N TYR A 20 10.979 2.953 -12.734 1.00 0.00 N ATOM 300 CA TYR A 20 10.234 3.462 -13.867 1.00 0.00 C ATOM 301 C TYR A 20 10.371 4.968 -13.864 1.00 0.00 C ATOM 302 O TYR A 20 10.883 5.518 -12.889 1.00 0.00 O ATOM 303 CB TYR A 20 8.761 3.055 -13.770 1.00 0.00 C ATOM 304 CG TYR A 20 7.959 3.361 -15.015 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.159 2.643 -16.188 1.00 0.00 C ATOM 306 CD2 TYR A 20 7.000 4.366 -15.017 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.426 2.920 -17.327 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.263 4.648 -16.151 1.00 0.00 C ATOM 309 CZ TYR A 20 6.481 3.923 -17.304 1.00 0.00 C ATOM 310 OH TYR A 20 5.750 4.201 -18.436 1.00 0.00 O ATOM 0 H TYR A 20 10.407 2.537 -11.999 1.00 0.00 H new ATOM 0 HA TYR A 20 10.625 3.047 -14.796 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.702 1.986 -13.565 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.307 3.568 -12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.899 1.856 -16.210 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.828 4.937 -14.116 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.593 2.353 -18.231 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.520 5.432 -16.135 1.00 0.00 H new ATOM 0 HH TYR A 20 5.127 4.934 -18.251 1.00 0.00 H new ATOM 320 N ARG A 21 9.954 5.630 -14.942 1.00 0.00 N ATOM 321 CA ARG A 21 10.058 7.084 -15.035 1.00 0.00 C ATOM 322 C ARG A 21 10.045 7.707 -13.642 1.00 0.00 C ATOM 323 O ARG A 21 10.751 8.678 -13.370 1.00 0.00 O ATOM 324 CB ARG A 21 8.908 7.648 -15.874 1.00 0.00 C ATOM 325 CG ARG A 21 9.098 7.461 -17.369 1.00 0.00 C ATOM 326 CD ARG A 21 7.872 7.912 -18.146 1.00 0.00 C ATOM 327 NE ARG A 21 7.899 9.345 -18.428 1.00 0.00 N ATOM 328 CZ ARG A 21 8.462 9.874 -19.510 1.00 0.00 C ATOM 329 NH1 ARG A 21 9.044 9.090 -20.410 1.00 0.00 N ATOM 330 NH2 ARG A 21 8.446 11.186 -19.695 1.00 0.00 N ATOM 0 H ARG A 21 9.542 5.183 -15.761 1.00 0.00 H new ATOM 0 HA ARG A 21 11.001 7.332 -15.522 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.978 7.166 -15.571 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.801 8.711 -15.660 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.969 8.027 -17.700 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.300 6.411 -17.583 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.813 7.359 -19.084 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.974 7.671 -17.577 1.00 0.00 H new ATOM 0 HE ARG A 21 7.461 9.976 -17.757 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.060 8.079 -20.272 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.475 9.498 -21.239 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.001 11.793 -19.006 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.879 11.589 -20.526 1.00 0.00 H new ATOM 344 N GLY A 22 9.234 7.120 -12.765 1.00 0.00 N ATOM 345 CA GLY A 22 9.128 7.595 -11.404 1.00 0.00 C ATOM 346 C GLY A 22 10.252 7.093 -10.518 1.00 0.00 C ATOM 347 O GLY A 22 11.340 7.666 -10.506 1.00 0.00 O ATOM 0 H GLY A 22 8.645 6.316 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.130 8.685 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.173 7.277 -10.986 1.00 0.00 H new ATOM 351 N TYR A 23 9.980 6.044 -9.739 1.00 0.00 N ATOM 352 CA TYR A 23 10.986 5.521 -8.820 1.00 0.00 C ATOM 353 C TYR A 23 11.214 4.021 -8.934 1.00 0.00 C ATOM 354 O TYR A 23 10.580 3.329 -9.731 1.00 0.00 O ATOM 355 CB TYR A 23 10.615 5.879 -7.383 1.00 0.00 C ATOM 356 CG TYR A 23 10.769 7.349 -7.067 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.824 8.273 -7.497 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.857 7.814 -6.340 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.959 9.618 -7.211 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.000 9.158 -6.050 1.00 0.00 C ATOM 361 CZ TYR A 23 11.049 10.056 -6.488 1.00 0.00 C ATOM 362 OH TYR A 23 11.187 11.394 -6.201 1.00 0.00 O ATOM 0 H TYR A 23 9.088 5.549 -9.727 1.00 0.00 H new ATOM 0 HA TYR A 23 11.926 5.993 -9.104 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.582 5.582 -7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.239 5.302 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.970 7.934 -8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.604 7.114 -5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.215 10.323 -7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.852 9.503 -5.483 1.00 0.00 H new ATOM 0 HH TYR A 23 12.008 11.535 -5.684 1.00 0.00 H new ATOM 372 N SER A 24 12.160 3.544 -8.120 1.00 0.00 N ATOM 373 CA SER A 24 12.543 2.141 -8.094 1.00 0.00 C ATOM 374 C SER A 24 11.647 1.318 -7.180 1.00 0.00 C ATOM 375 O SER A 24 10.880 1.856 -6.382 1.00 0.00 O ATOM 376 CB SER A 24 13.999 2.004 -7.648 1.00 0.00 C ATOM 377 OG SER A 24 14.144 2.308 -6.271 1.00 0.00 O ATOM 0 H SER A 24 12.679 4.126 -7.462 1.00 0.00 H new ATOM 0 HA SER A 24 12.427 1.754 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.346 0.988 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.627 2.671 -8.238 1.00 0.00 H new ATOM 0 HG SER A 24 13.465 2.964 -6.007 1.00 0.00 H new ATOM 383 N LEU A 25 11.767 0.003 -7.319 1.00 0.00 N ATOM 384 CA LEU A 25 10.999 -0.950 -6.535 1.00 0.00 C ATOM 385 C LEU A 25 10.890 -0.539 -5.068 1.00 0.00 C ATOM 386 O LEU A 25 9.788 -0.396 -4.541 1.00 0.00 O ATOM 387 CB LEU A 25 11.655 -2.324 -6.649 1.00 0.00 C ATOM 388 CG LEU A 25 10.938 -3.296 -7.571 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.929 -4.251 -8.216 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.876 -4.061 -6.800 1.00 0.00 C ATOM 0 H LEU A 25 12.405 -0.433 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 25 9.984 -0.978 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.677 -2.195 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.716 -2.766 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 25 10.450 -2.730 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.397 -4.939 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.655 -3.683 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.447 -4.816 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.368 -4.755 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.345 -4.618 -5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.151 -3.360 -6.386 1.00 0.00 H new ATOM 402 N GLY A 26 12.036 -0.379 -4.409 1.00 0.00 N ATOM 403 CA GLY A 26 12.052 -0.009 -3.001 1.00 0.00 C ATOM 404 C GLY A 26 11.042 1.068 -2.643 1.00 0.00 C ATOM 405 O GLY A 26 10.428 1.015 -1.577 1.00 0.00 O ATOM 0 H GLY A 26 12.959 -0.500 -4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.854 -0.896 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.051 0.339 -2.737 1.00 0.00 H new ATOM 409 N ASN A 27 10.873 2.048 -3.523 1.00 0.00 N ATOM 410 CA ASN A 27 9.933 3.139 -3.275 1.00 0.00 C ATOM 411 C ASN A 27 8.488 2.650 -3.339 1.00 0.00 C ATOM 412 O ASN A 27 7.631 3.123 -2.594 1.00 0.00 O ATOM 413 CB ASN A 27 10.150 4.270 -4.279 1.00 0.00 C ATOM 414 CG ASN A 27 11.596 4.724 -4.334 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.352 4.184 -5.282 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 12.029 5.552 -3.531 1.00 0.00 N flip ATOM 0 H ASN A 27 11.371 2.111 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 27 10.119 3.517 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.838 3.938 -5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.516 5.116 -4.012 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.413 5.942 -2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.004 5.848 -3.579 1.00 0.00 H new ATOM 423 N TRP A 28 8.227 1.696 -4.227 1.00 0.00 N ATOM 424 CA TRP A 28 6.887 1.137 -4.381 1.00 0.00 C ATOM 425 C TRP A 28 6.507 0.290 -3.181 1.00 0.00 C ATOM 426 O TRP A 28 5.375 0.353 -2.702 1.00 0.00 O ATOM 427 CB TRP A 28 6.812 0.310 -5.654 1.00 0.00 C ATOM 428 CG TRP A 28 7.026 1.153 -6.858 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.187 1.305 -7.544 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.058 1.983 -7.502 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.014 2.199 -8.567 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.709 2.623 -8.572 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.704 2.247 -7.276 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.052 3.515 -9.415 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.048 3.128 -8.112 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.723 3.755 -9.174 1.00 0.00 C ATOM 0 H TRP A 28 8.926 1.293 -4.852 1.00 0.00 H new ATOM 0 HA TRP A 28 6.178 1.962 -4.449 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.563 -0.480 -5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.839 -0.177 -5.717 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.112 0.796 -7.317 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.738 2.501 -9.219 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.180 1.770 -6.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.570 4.000 -10.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.002 3.339 -7.948 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.184 4.439 -9.813 1.00 0.00 H new ATOM 447 N VAL A 29 7.454 -0.500 -2.693 1.00 0.00 N ATOM 448 CA VAL A 29 7.212 -1.352 -1.544 1.00 0.00 C ATOM 449 C VAL A 29 7.015 -0.520 -0.291 1.00 0.00 C ATOM 450 O VAL A 29 6.066 -0.722 0.457 1.00 0.00 O ATOM 451 CB VAL A 29 8.383 -2.329 -1.330 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.127 -3.231 -0.133 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.628 -3.145 -2.591 1.00 0.00 C ATOM 0 H VAL A 29 8.396 -0.566 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 29 6.304 -1.923 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 29 9.282 -1.750 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.969 -3.911 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.012 -2.622 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.217 -3.807 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.459 -3.831 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.731 -3.714 -2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.870 -2.475 -3.416 1.00 0.00 H new ATOM 463 N CYS A 30 7.924 0.413 -0.071 1.00 0.00 N ATOM 464 CA CYS A 30 7.860 1.284 1.089 1.00 0.00 C ATOM 465 C CYS A 30 6.530 2.035 1.142 1.00 0.00 C ATOM 466 O CYS A 30 5.854 2.056 2.175 1.00 0.00 O ATOM 467 CB CYS A 30 9.021 2.273 1.040 1.00 0.00 C ATOM 468 SG CYS A 30 9.467 2.987 2.649 1.00 0.00 S ATOM 0 H CYS A 30 8.720 0.587 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 30 7.934 0.674 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.894 1.769 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.765 3.082 0.356 1.00 0.00 H new ATOM 473 N ALA A 31 6.164 2.656 0.022 1.00 0.00 N ATOM 474 CA ALA A 31 4.925 3.420 -0.065 1.00 0.00 C ATOM 475 C ALA A 31 3.698 2.534 0.117 1.00 0.00 C ATOM 476 O ALA A 31 2.779 2.883 0.854 1.00 0.00 O ATOM 477 CB ALA A 31 4.853 4.149 -1.397 1.00 0.00 C ATOM 0 H ALA A 31 6.711 2.644 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 31 4.928 4.148 0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.924 4.716 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.700 4.830 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.884 3.424 -2.211 1.00 0.00 H new ATOM 483 N ALA A 32 3.685 1.393 -0.565 1.00 0.00 N ATOM 484 CA ALA A 32 2.560 0.465 -0.485 1.00 0.00 C ATOM 485 C ALA A 32 2.450 -0.176 0.895 1.00 0.00 C ATOM 486 O ALA A 32 1.377 -0.188 1.497 1.00 0.00 O ATOM 487 CB ALA A 32 2.689 -0.609 -1.555 1.00 0.00 C ATOM 0 H ALA A 32 4.440 1.088 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 32 1.648 1.037 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.845 -1.295 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.697 -0.142 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.618 -1.160 -1.407 1.00 0.00 H new ATOM 493 N LYS A 33 3.562 -0.718 1.382 1.00 0.00 N ATOM 494 CA LYS A 33 3.602 -1.376 2.683 1.00 0.00 C ATOM 495 C LYS A 33 2.919 -0.545 3.755 1.00 0.00 C ATOM 496 O LYS A 33 2.000 -1.011 4.422 1.00 0.00 O ATOM 497 CB LYS A 33 5.049 -1.644 3.097 1.00 0.00 C ATOM 498 CG LYS A 33 5.178 -2.423 4.397 1.00 0.00 C ATOM 499 CD LYS A 33 6.538 -2.209 5.041 1.00 0.00 C ATOM 500 CE LYS A 33 6.405 -1.752 6.484 1.00 0.00 C ATOM 501 NZ LYS A 33 5.746 -2.781 7.335 1.00 0.00 N ATOM 0 H LYS A 33 4.455 -0.714 0.889 1.00 0.00 H new ATOM 0 HA LYS A 33 3.064 -2.319 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.549 -2.196 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.570 -0.692 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.394 -2.113 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.029 -3.485 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.110 -3.136 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.098 -1.466 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.393 -1.527 6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.828 -0.828 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.869 -2.533 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.731 -2.819 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.176 -3.710 7.152 1.00 0.00 H new ATOM 515 N PHE A 34 3.386 0.680 3.934 1.00 0.00 N ATOM 516 CA PHE A 34 2.818 1.551 4.952 1.00 0.00 C ATOM 517 C PHE A 34 1.458 2.093 4.550 1.00 0.00 C ATOM 518 O PHE A 34 0.680 2.523 5.403 1.00 0.00 O ATOM 519 CB PHE A 34 3.769 2.685 5.273 1.00 0.00 C ATOM 520 CG PHE A 34 4.715 2.382 6.399 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.245 2.228 7.695 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.074 2.250 6.164 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.113 1.949 8.733 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.947 1.971 7.199 1.00 0.00 C ATOM 525 CZ PHE A 34 6.466 1.820 8.485 1.00 0.00 C ATOM 0 H PHE A 34 4.148 1.091 3.395 1.00 0.00 H new ATOM 0 HA PHE A 34 2.672 0.947 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.347 2.926 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.189 3.572 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.188 2.327 7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.456 2.366 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.734 1.832 9.738 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.004 1.871 7.002 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.146 1.602 9.295 1.00 0.00 H new ATOM 535 N GLU A 35 1.172 2.086 3.259 1.00 0.00 N ATOM 536 CA GLU A 35 -0.095 2.592 2.757 1.00 0.00 C ATOM 537 C GLU A 35 -1.276 1.752 3.230 1.00 0.00 C ATOM 538 O GLU A 35 -2.238 2.275 3.792 1.00 0.00 O ATOM 539 CB GLU A 35 -0.065 2.602 1.230 1.00 0.00 C ATOM 540 CG GLU A 35 -0.286 3.976 0.623 1.00 0.00 C ATOM 541 CD GLU A 35 0.292 4.094 -0.773 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.474 4.476 -0.896 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.439 3.803 -1.742 1.00 0.00 O ATOM 0 H GLU A 35 1.802 1.735 2.538 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.227 3.602 3.146 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.897 2.216 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.831 1.922 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.355 4.187 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.168 4.731 1.265 1.00 0.00 H new ATOM 550 N SER A 36 -1.217 0.460 2.944 1.00 0.00 N ATOM 551 CA SER A 36 -2.311 -0.446 3.284 1.00 0.00 C ATOM 552 C SER A 36 -1.817 -1.724 3.948 1.00 0.00 C ATOM 553 O SER A 36 -2.554 -2.705 4.029 1.00 0.00 O ATOM 554 CB SER A 36 -3.068 -0.809 2.002 1.00 0.00 C ATOM 555 OG SER A 36 -2.162 -1.145 0.967 1.00 0.00 O ATOM 0 H SER A 36 -0.427 0.013 2.479 1.00 0.00 H new ATOM 0 HA SER A 36 -2.961 0.065 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.737 -1.648 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.690 0.030 1.690 1.00 0.00 H new ATOM 0 HG SER A 36 -1.931 -0.339 0.460 1.00 0.00 H new ATOM 561 N ASN A 37 -0.569 -1.728 4.397 1.00 0.00 N ATOM 562 CA ASN A 37 -0.004 -2.921 5.014 1.00 0.00 C ATOM 563 C ASN A 37 -0.059 -4.060 4.005 1.00 0.00 C ATOM 564 O ASN A 37 -0.168 -5.227 4.366 1.00 0.00 O ATOM 565 CB ASN A 37 -0.771 -3.294 6.286 1.00 0.00 C ATOM 566 CG ASN A 37 -0.474 -2.354 7.437 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.106 -2.753 8.446 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.871 -1.095 7.290 1.00 0.00 N ATOM 0 H ASN A 37 0.064 -0.930 4.347 1.00 0.00 H new ATOM 0 HA ASN A 37 1.030 -2.728 5.300 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.841 -3.283 6.078 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.514 -4.312 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.698 -0.416 8.031 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.349 -0.807 6.436 1.00 0.00 H new ATOM 575 N PHE A 38 0.024 -3.671 2.733 1.00 0.00 N ATOM 576 CA PHE A 38 -0.003 -4.573 1.594 1.00 0.00 C ATOM 577 C PHE A 38 -1.399 -5.126 1.351 1.00 0.00 C ATOM 578 O PHE A 38 -1.563 -6.148 0.691 1.00 0.00 O ATOM 579 CB PHE A 38 1.035 -5.687 1.741 1.00 0.00 C ATOM 580 CG PHE A 38 2.436 -5.192 1.522 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.726 -4.358 0.454 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.458 -5.545 2.387 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.006 -3.887 0.250 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.742 -5.076 2.188 1.00 0.00 C ATOM 585 CZ PHE A 38 5.017 -4.248 1.118 1.00 0.00 C ATOM 0 H PHE A 38 0.114 -2.691 2.465 1.00 0.00 H new ATOM 0 HA PHE A 38 0.268 -3.995 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.958 -6.124 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.817 -6.481 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.939 -4.073 -0.228 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.249 -6.193 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.217 -3.237 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.531 -5.357 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.021 -3.883 0.960 1.00 0.00 H new ATOM 595 N ASN A 39 -2.409 -4.418 1.850 1.00 0.00 N ATOM 596 CA ASN A 39 -3.793 -4.823 1.649 1.00 0.00 C ATOM 597 C ASN A 39 -4.293 -4.279 0.320 1.00 0.00 C ATOM 598 O ASN A 39 -4.481 -3.072 0.159 1.00 0.00 O ATOM 599 CB ASN A 39 -4.675 -4.328 2.792 1.00 0.00 C ATOM 600 CG ASN A 39 -5.856 -5.244 3.049 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.559 -5.616 1.986 1.00 0.00 O flip ATOM 602 ND2 ASN A 39 -6.134 -5.612 4.190 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.293 -3.563 2.395 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.843 -5.912 1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.077 -4.247 3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.039 -3.327 2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.566 -5.302 4.979 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.932 -6.227 4.347 1.00 0.00 H new ATOM 609 N THR A 40 -4.476 -5.175 -0.635 1.00 0.00 N ATOM 610 CA THR A 40 -4.916 -4.797 -1.967 1.00 0.00 C ATOM 611 C THR A 40 -6.432 -4.713 -2.037 1.00 0.00 C ATOM 612 O THR A 40 -6.994 -4.109 -2.949 1.00 0.00 O ATOM 613 CB THR A 40 -4.411 -5.810 -3.009 1.00 0.00 C ATOM 614 OG1 THR A 40 -5.378 -6.850 -3.197 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.091 -6.422 -2.563 1.00 0.00 C ATOM 0 H THR A 40 -4.325 -6.176 -0.511 1.00 0.00 H new ATOM 0 HA THR A 40 -4.499 -3.814 -2.187 1.00 0.00 H new ATOM 0 HB THR A 40 -4.258 -5.283 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.047 -7.488 -3.863 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.749 -7.136 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.346 -5.635 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.231 -6.934 -1.611 1.00 0.00 H new ATOM 623 N GLN A 41 -7.083 -5.335 -1.066 1.00 0.00 N ATOM 624 CA GLN A 41 -8.534 -5.355 -1.003 1.00 0.00 C ATOM 625 C GLN A 41 -9.066 -4.362 0.029 1.00 0.00 C ATOM 626 O GLN A 41 -10.273 -4.283 0.259 1.00 0.00 O ATOM 627 CB GLN A 41 -9.002 -6.765 -0.654 1.00 0.00 C ATOM 628 CG GLN A 41 -9.272 -7.638 -1.868 1.00 0.00 C ATOM 629 CD GLN A 41 -10.729 -7.623 -2.285 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.351 -6.564 -2.370 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.282 -8.801 -2.546 1.00 0.00 N ATOM 0 H GLN A 41 -6.624 -5.836 -0.306 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.924 -5.060 -1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.246 -7.246 -0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.911 -6.699 -0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.656 -7.297 -2.700 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.971 -8.662 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.729 -9.654 -2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.260 -8.853 -2.830 1.00 0.00 H new ATOM 640 N ALA A 42 -8.163 -3.621 0.663 1.00 0.00 N ATOM 641 CA ALA A 42 -8.550 -2.656 1.685 1.00 0.00 C ATOM 642 C ALA A 42 -8.904 -1.293 1.099 1.00 0.00 C ATOM 643 O ALA A 42 -8.444 -0.914 0.020 1.00 0.00 O ATOM 644 CB ALA A 42 -7.444 -2.505 2.714 1.00 0.00 C ATOM 0 H ALA A 42 -7.159 -3.670 0.487 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.448 -3.046 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.747 -1.781 3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.254 -3.468 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.535 -2.157 2.223 1.00 0.00 H new ATOM 650 N THR A 43 -9.717 -0.564 1.851 1.00 0.00 N ATOM 651 CA THR A 43 -10.154 0.774 1.473 1.00 0.00 C ATOM 652 C THR A 43 -9.834 1.759 2.596 1.00 0.00 C ATOM 653 O THR A 43 -9.917 1.407 3.774 1.00 0.00 O ATOM 654 CB THR A 43 -11.668 0.815 1.187 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.387 1.118 2.389 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.152 -0.514 0.626 1.00 0.00 C ATOM 0 H THR A 43 -10.094 -0.884 2.743 1.00 0.00 H new ATOM 0 HA THR A 43 -9.622 1.051 0.563 1.00 0.00 H new ATOM 0 HB THR A 43 -11.852 1.593 0.446 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.348 1.144 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.223 -0.459 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.626 -0.729 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.954 -1.307 1.347 1.00 0.00 H new ATOM 664 N ASN A 44 -9.463 2.986 2.242 1.00 0.00 N ATOM 665 CA ASN A 44 -9.131 3.994 3.244 1.00 0.00 C ATOM 666 C ASN A 44 -9.933 5.273 3.029 1.00 0.00 C ATOM 667 O ASN A 44 -9.581 6.106 2.194 1.00 0.00 O ATOM 668 CB ASN A 44 -7.633 4.306 3.210 1.00 0.00 C ATOM 669 CG ASN A 44 -7.109 4.778 4.551 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.294 4.106 5.183 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.577 5.939 4.994 1.00 0.00 N ATOM 0 H ASN A 44 -9.385 3.305 1.276 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.390 3.589 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.086 3.414 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.441 5.072 2.458 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.262 6.307 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.252 6.463 4.437 1.00 0.00 H new ATOM 678 N ARG A 45 -11.014 5.421 3.788 1.00 0.00 N ATOM 679 CA ARG A 45 -11.870 6.598 3.683 1.00 0.00 C ATOM 680 C ARG A 45 -11.195 7.823 4.289 1.00 0.00 C ATOM 681 O ARG A 45 -10.788 7.810 5.451 1.00 0.00 O ATOM 682 CB ARG A 45 -13.210 6.344 4.376 1.00 0.00 C ATOM 683 CG ARG A 45 -14.398 6.945 3.644 1.00 0.00 C ATOM 684 CD ARG A 45 -15.695 6.244 4.015 1.00 0.00 C ATOM 685 NE ARG A 45 -15.787 4.913 3.422 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.971 3.801 4.128 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.081 3.861 5.449 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.044 2.629 3.513 1.00 0.00 N ATOM 0 H ARG A 45 -11.319 4.740 4.483 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.046 6.792 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.361 5.269 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.171 6.754 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.475 8.006 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.239 6.872 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.766 6.163 5.100 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.540 6.847 3.684 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.706 4.831 2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.025 4.761 5.925 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.222 3.007 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.959 2.580 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.185 1.777 4.055 1.00 0.00 H new ATOM 702 N ASN A 46 -11.081 8.883 3.493 1.00 0.00 N ATOM 703 CA ASN A 46 -10.456 10.120 3.949 1.00 0.00 C ATOM 704 C ASN A 46 -11.509 11.172 4.279 1.00 0.00 C ATOM 705 O ASN A 46 -12.704 10.956 4.074 1.00 0.00 O ATOM 706 CB ASN A 46 -9.500 10.657 2.884 1.00 0.00 C ATOM 707 CG ASN A 46 -8.776 9.549 2.144 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.952 9.373 0.939 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.956 8.793 2.866 1.00 0.00 N ATOM 0 H ASN A 46 -11.413 8.910 2.529 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.892 9.899 4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.059 11.262 2.170 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.769 11.314 3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.442 8.031 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.840 8.975 3.863 1.00 0.00 H new ATOM 716 N THR A 47 -11.055 12.309 4.793 1.00 0.00 N ATOM 717 CA THR A 47 -11.952 13.399 5.156 1.00 0.00 C ATOM 718 C THR A 47 -12.282 14.270 3.948 1.00 0.00 C ATOM 719 O THR A 47 -13.258 15.021 3.961 1.00 0.00 O ATOM 720 CB THR A 47 -11.344 14.284 6.260 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.076 14.794 5.836 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.173 13.496 7.550 1.00 0.00 C ATOM 0 H THR A 47 -10.068 12.500 4.968 1.00 0.00 H new ATOM 0 HA THR A 47 -12.867 12.940 5.530 1.00 0.00 H new ATOM 0 HB THR A 47 -12.025 15.114 6.446 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.697 15.357 6.543 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.742 14.141 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.144 13.133 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.510 12.649 7.374 1.00 0.00 H new ATOM 730 N ASP A 48 -11.463 14.167 2.906 1.00 0.00 N ATOM 731 CA ASP A 48 -11.670 14.947 1.691 1.00 0.00 C ATOM 732 C ASP A 48 -12.863 14.419 0.899 1.00 0.00 C ATOM 733 O ASP A 48 -13.286 15.028 -0.083 1.00 0.00 O ATOM 734 CB ASP A 48 -10.412 14.919 0.822 1.00 0.00 C ATOM 735 CG ASP A 48 -9.885 13.514 0.604 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.674 12.556 0.739 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.682 13.373 0.298 1.00 0.00 O ATOM 0 H ASP A 48 -10.650 13.551 2.879 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.879 15.976 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.632 15.375 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.637 15.525 1.291 1.00 0.00 H new ATOM 742 N GLY A 49 -13.400 13.285 1.336 1.00 0.00 N ATOM 743 CA GLY A 49 -14.540 12.693 0.660 1.00 0.00 C ATOM 744 C GLY A 49 -14.164 11.475 -0.159 1.00 0.00 C ATOM 745 O GLY A 49 -14.965 10.552 -0.313 1.00 0.00 O ATOM 0 H GLY A 49 -13.066 12.765 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.290 12.412 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.998 13.437 0.008 1.00 0.00 H new ATOM 749 N SER A 50 -12.944 11.471 -0.688 1.00 0.00 N ATOM 750 CA SER A 50 -12.469 10.353 -1.495 1.00 0.00 C ATOM 751 C SER A 50 -12.023 9.191 -0.613 1.00 0.00 C ATOM 752 O SER A 50 -12.041 9.285 0.614 1.00 0.00 O ATOM 753 CB SER A 50 -11.317 10.792 -2.402 1.00 0.00 C ATOM 754 OG SER A 50 -10.581 11.852 -1.819 1.00 0.00 O ATOM 0 H SER A 50 -12.269 12.227 -0.573 1.00 0.00 H new ATOM 0 HA SER A 50 -13.299 10.017 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.655 9.946 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.711 11.108 -3.368 1.00 0.00 H new ATOM 0 HG SER A 50 -10.463 11.680 -0.861 1.00 0.00 H new ATOM 760 N THR A 51 -11.632 8.096 -1.253 1.00 0.00 N ATOM 761 CA THR A 51 -11.190 6.906 -0.536 1.00 0.00 C ATOM 762 C THR A 51 -10.009 6.245 -1.241 1.00 0.00 C ATOM 763 O THR A 51 -9.737 6.522 -2.407 1.00 0.00 O ATOM 764 CB THR A 51 -12.336 5.885 -0.406 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.563 6.562 -0.110 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.043 4.866 0.684 1.00 0.00 C ATOM 0 H THR A 51 -11.612 8.007 -2.269 1.00 0.00 H new ATOM 0 HA THR A 51 -10.878 7.226 0.458 1.00 0.00 H new ATOM 0 HB THR A 51 -12.427 5.358 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.287 5.907 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.869 4.159 0.752 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.125 4.330 0.443 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.924 5.378 1.639 1.00 0.00 H new ATOM 774 N ASP A 52 -9.318 5.362 -0.526 1.00 0.00 N ATOM 775 CA ASP A 52 -8.172 4.648 -1.078 1.00 0.00 C ATOM 776 C ASP A 52 -8.505 3.178 -1.245 1.00 0.00 C ATOM 777 O ASP A 52 -8.351 2.386 -0.316 1.00 0.00 O ATOM 778 CB ASP A 52 -6.957 4.813 -0.166 1.00 0.00 C ATOM 779 CG ASP A 52 -6.533 6.261 -0.024 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.365 6.936 -1.061 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.367 6.722 1.126 1.00 0.00 O ATOM 0 H ASP A 52 -9.534 5.123 0.442 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.935 5.068 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.188 4.407 0.819 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.126 4.231 -0.564 1.00 0.00 H new ATOM 786 N TYR A 53 -8.982 2.819 -2.430 1.00 0.00 N ATOM 787 CA TYR A 53 -9.358 1.445 -2.703 1.00 0.00 C ATOM 788 C TYR A 53 -8.216 0.644 -3.317 1.00 0.00 C ATOM 789 O TYR A 53 -8.176 0.427 -4.526 1.00 0.00 O ATOM 790 CB TYR A 53 -10.574 1.390 -3.626 1.00 0.00 C ATOM 791 CG TYR A 53 -11.789 2.113 -3.091 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.579 1.542 -2.102 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.151 3.359 -3.582 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.696 2.195 -1.616 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.267 4.019 -3.102 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.036 3.432 -2.120 1.00 0.00 C ATOM 797 OH TYR A 53 -15.148 4.085 -1.639 1.00 0.00 O ATOM 0 H TYR A 53 -9.116 3.460 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.607 0.993 -1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.304 1.820 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.835 0.347 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.316 0.572 -1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.551 3.821 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.299 1.738 -0.845 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.535 4.989 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.246 4.945 -2.098 1.00 0.00 H new ATOM 807 N GLY A 54 -7.279 0.220 -2.484 1.00 0.00 N ATOM 808 CA GLY A 54 -6.170 -0.563 -3.003 1.00 0.00 C ATOM 809 C GLY A 54 -4.934 -0.584 -2.135 1.00 0.00 C ATOM 810 O GLY A 54 -4.837 0.137 -1.141 1.00 0.00 O ATOM 0 H GLY A 54 -7.261 0.397 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.508 -1.589 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.899 -0.173 -3.984 1.00 0.00 H new ATOM 814 N ILE A 55 -3.973 -1.405 -2.552 1.00 0.00 N ATOM 815 CA ILE A 55 -2.701 -1.528 -1.862 1.00 0.00 C ATOM 816 C ILE A 55 -1.874 -0.280 -2.134 1.00 0.00 C ATOM 817 O ILE A 55 -0.974 0.074 -1.373 1.00 0.00 O ATOM 818 CB ILE A 55 -1.916 -2.770 -2.339 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.710 -3.024 -1.432 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.469 -2.585 -3.782 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.052 -4.284 -1.780 1.00 0.00 C ATOM 0 H ILE A 55 -4.058 -2.000 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.896 -1.640 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.572 -3.639 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.034 -2.171 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.050 -3.088 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.917 -3.466 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.343 -2.449 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.827 -1.707 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.893 -4.401 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.610 -5.146 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.422 -4.215 -2.803 1.00 0.00 H new ATOM 833 N LEU A 56 -2.222 0.395 -3.228 1.00 0.00 N ATOM 834 CA LEU A 56 -1.561 1.626 -3.625 1.00 0.00 C ATOM 835 C LEU A 56 -2.539 2.787 -3.491 1.00 0.00 C ATOM 836 O LEU A 56 -2.240 3.913 -3.886 1.00 0.00 O ATOM 837 CB LEU A 56 -1.038 1.535 -5.068 1.00 0.00 C ATOM 838 CG LEU A 56 0.463 1.818 -5.247 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.895 3.010 -4.406 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.280 0.586 -4.886 1.00 0.00 C ATOM 0 H LEU A 56 -2.968 0.101 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.704 1.790 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.250 0.537 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.599 2.238 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 56 0.642 2.061 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.960 3.190 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.333 3.893 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.701 2.802 -3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.340 0.801 -5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.091 0.316 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.995 -0.243 -5.534 1.00 0.00 H new ATOM 852 N GLN A 57 -3.713 2.494 -2.917 1.00 0.00 N ATOM 853 CA GLN A 57 -4.754 3.496 -2.699 1.00 0.00 C ATOM 854 C GLN A 57 -5.389 3.961 -4.006 1.00 0.00 C ATOM 855 O GLN A 57 -5.130 5.077 -4.458 1.00 0.00 O ATOM 856 CB GLN A 57 -4.180 4.699 -1.945 1.00 0.00 C ATOM 857 CG GLN A 57 -3.536 4.335 -0.618 1.00 0.00 C ATOM 858 CD GLN A 57 -3.335 5.538 0.282 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.630 6.544 -0.221 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.808 5.563 1.419 1.00 0.00 N flip ATOM 0 H GLN A 57 -3.963 1.560 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.535 3.025 -2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.440 5.193 -2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.978 5.420 -1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.159 3.602 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.573 3.860 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.344 4.768 1.766 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.664 6.379 2.013 1.00 0.00 H new ATOM 869 N ILE A 58 -6.220 3.114 -4.625 1.00 0.00 N ATOM 870 CA ILE A 58 -6.858 3.489 -5.872 1.00 0.00 C ATOM 871 C ILE A 58 -8.144 4.242 -5.600 1.00 0.00 C ATOM 872 O ILE A 58 -9.209 3.643 -5.446 1.00 0.00 O ATOM 873 CB ILE A 58 -7.152 2.261 -6.752 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.950 1.312 -6.762 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.504 2.696 -8.167 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.624 2.003 -7.014 1.00 0.00 C ATOM 0 H ILE A 58 -6.457 2.183 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.165 4.135 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.006 1.729 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.902 0.792 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.105 0.553 -7.529 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.709 1.817 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.387 3.335 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.668 3.249 -8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.822 1.265 -7.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.651 2.499 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.445 2.742 -6.233 1.00 0.00 H new ATOM 888 N ASN A 59 -8.037 5.562 -5.537 1.00 0.00 N ATOM 889 CA ASN A 59 -9.191 6.401 -5.285 1.00 0.00 C ATOM 890 C ASN A 59 -10.205 6.241 -6.405 1.00 0.00 C ATOM 891 O ASN A 59 -10.070 6.847 -7.464 1.00 0.00 O ATOM 892 CB ASN A 59 -8.764 7.865 -5.166 1.00 0.00 C ATOM 893 CG ASN A 59 -9.928 8.785 -4.860 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.988 8.341 -4.419 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.735 10.079 -5.092 1.00 0.00 N ATOM 0 H ASN A 59 -7.161 6.071 -5.657 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.651 6.094 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.014 7.959 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.291 8.179 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.482 10.748 -4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.840 10.404 -5.458 1.00 0.00 H new ATOM 902 N SER A 60 -11.219 5.421 -6.169 1.00 0.00 N ATOM 903 CA SER A 60 -12.256 5.188 -7.171 1.00 0.00 C ATOM 904 C SER A 60 -13.031 6.467 -7.486 1.00 0.00 C ATOM 905 O SER A 60 -13.828 6.498 -8.425 1.00 0.00 O ATOM 906 CB SER A 60 -13.221 4.101 -6.694 1.00 0.00 C ATOM 907 OG SER A 60 -14.302 4.661 -5.968 1.00 0.00 O ATOM 0 H SER A 60 -11.348 4.907 -5.298 1.00 0.00 H new ATOM 0 HA SER A 60 -11.762 4.858 -8.085 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.603 3.548 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.688 3.387 -6.066 1.00 0.00 H new ATOM 0 HG SER A 60 -14.185 4.476 -5.013 1.00 0.00 H new ATOM 913 N ARG A 61 -12.796 7.522 -6.708 1.00 0.00 N ATOM 914 CA ARG A 61 -13.478 8.795 -6.926 1.00 0.00 C ATOM 915 C ARG A 61 -12.758 9.611 -7.994 1.00 0.00 C ATOM 916 O ARG A 61 -13.359 10.032 -8.982 1.00 0.00 O ATOM 917 CB ARG A 61 -13.553 9.590 -5.621 1.00 0.00 C ATOM 918 CG ARG A 61 -14.489 10.786 -5.690 1.00 0.00 C ATOM 919 CD ARG A 61 -15.183 11.028 -4.359 1.00 0.00 C ATOM 920 NE ARG A 61 -16.024 12.221 -4.391 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.875 13.251 -3.562 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.922 13.232 -2.639 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.680 14.301 -3.655 1.00 0.00 N ATOM 0 H ARG A 61 -12.142 7.521 -5.925 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.491 8.586 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.882 8.928 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.553 9.936 -5.358 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.925 11.675 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.236 10.620 -6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.793 10.161 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.435 11.133 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.767 12.267 -5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.301 12.426 -2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.810 14.023 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.414 14.320 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.565 15.090 -3.019 1.00 0.00 H new ATOM 937 N TRP A 62 -11.461 9.821 -7.789 1.00 0.00 N ATOM 938 CA TRP A 62 -10.651 10.577 -8.737 1.00 0.00 C ATOM 939 C TRP A 62 -10.264 9.693 -9.916 1.00 0.00 C ATOM 940 O TRP A 62 -10.336 10.110 -11.072 1.00 0.00 O ATOM 941 CB TRP A 62 -9.394 11.118 -8.053 1.00 0.00 C ATOM 942 CG TRP A 62 -9.147 12.571 -8.325 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.984 13.159 -9.546 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.033 13.618 -7.355 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.776 14.510 -9.394 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.802 14.816 -8.059 1.00 0.00 C ATOM 947 CE3 TRP A 62 -9.106 13.661 -5.959 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.644 16.039 -7.414 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -8.948 14.876 -5.321 1.00 0.00 C ATOM 950 CH2 TRP A 62 -8.719 16.051 -6.048 1.00 0.00 C ATOM 0 H TRP A 62 -10.949 9.479 -6.976 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.239 11.419 -9.102 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.481 10.967 -6.977 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.531 10.542 -8.387 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.014 12.640 -10.492 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.627 15.176 -10.152 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -9.283 12.760 -5.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.468 16.947 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -9.002 14.921 -4.243 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -8.599 16.985 -5.520 1.00 0.00 H new ATOM 961 N TRP A 63 -9.860 8.465 -9.610 1.00 0.00 N ATOM 962 CA TRP A 63 -9.466 7.506 -10.633 1.00 0.00 C ATOM 963 C TRP A 63 -10.528 6.427 -10.805 1.00 0.00 C ATOM 964 O TRP A 63 -11.328 6.185 -9.905 1.00 0.00 O ATOM 965 CB TRP A 63 -8.136 6.841 -10.267 1.00 0.00 C ATOM 966 CG TRP A 63 -7.084 7.804 -9.817 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.472 7.858 -8.597 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.522 8.852 -10.596 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.553 8.882 -8.580 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.569 9.509 -9.800 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.738 9.294 -11.895 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.829 10.592 -10.271 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.014 10.364 -12.364 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.065 11.007 -11.556 1.00 0.00 C ATOM 0 H TRP A 63 -9.797 8.110 -8.656 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.354 8.053 -11.569 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.311 6.112 -9.476 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.766 6.290 -11.132 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.679 7.196 -7.769 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.958 9.133 -7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.464 8.804 -12.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.098 11.085 -9.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.179 10.716 -13.372 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.510 11.844 -11.953 1.00 0.00 H new ATOM 985 N CYS A 64 -10.484 5.763 -11.956 1.00 0.00 N ATOM 986 CA CYS A 64 -11.397 4.666 -12.289 1.00 0.00 C ATOM 987 C CYS A 64 -12.865 4.985 -12.024 1.00 0.00 C ATOM 988 O CYS A 64 -13.213 5.745 -11.122 1.00 0.00 O ATOM 989 CB CYS A 64 -10.999 3.396 -11.526 1.00 0.00 C ATOM 990 SG CYS A 64 -11.792 3.208 -9.892 1.00 0.00 S ATOM 0 H CYS A 64 -9.809 5.970 -12.692 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.301 4.511 -13.364 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.247 2.528 -12.137 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.917 3.393 -11.392 1.00 0.00 H new ATOM 995 N ASN A 65 -13.730 4.376 -12.827 1.00 0.00 N ATOM 996 CA ASN A 65 -15.168 4.569 -12.691 1.00 0.00 C ATOM 997 C ASN A 65 -15.776 3.444 -11.858 1.00 0.00 C ATOM 998 O ASN A 65 -15.903 2.312 -12.325 1.00 0.00 O ATOM 999 CB ASN A 65 -15.835 4.619 -14.066 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.316 4.932 -13.980 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.717 5.952 -13.420 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.139 4.050 -14.537 1.00 0.00 N ATOM 0 H ASN A 65 -13.459 3.744 -13.580 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.341 5.518 -12.184 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.342 5.374 -14.678 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.698 3.661 -14.568 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.147 4.205 -14.511 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.763 3.218 -14.991 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.140 3.760 -10.619 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.724 2.772 -9.720 1.00 0.00 C ATOM 1011 C ASP A 66 -18.248 2.804 -9.775 1.00 0.00 C ATOM 1012 O ASP A 66 -18.907 1.804 -9.493 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.245 3.013 -8.288 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.840 4.267 -7.681 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.582 5.366 -8.217 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.565 4.153 -6.670 1.00 0.00 O ATOM 0 H ASP A 66 -16.041 4.692 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.395 1.786 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.508 2.154 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.158 3.090 -8.280 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.804 3.955 -10.143 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.247 4.088 -10.233 1.00 0.00 C ATOM 1023 C GLY A 67 -20.926 4.137 -8.876 1.00 0.00 C ATOM 1024 O GLY A 67 -22.079 4.556 -8.770 1.00 0.00 O ATOM 0 H GLY A 67 -18.281 4.798 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.488 4.995 -10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.648 3.250 -10.803 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.217 3.705 -7.837 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.768 3.701 -6.486 1.00 0.00 C ATOM 1030 C ARG A 68 -20.550 5.047 -5.801 1.00 0.00 C ATOM 1031 O ARG A 68 -21.060 5.286 -4.706 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.129 2.585 -5.657 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.834 1.246 -5.794 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.908 0.185 -6.365 1.00 0.00 C ATOM 1035 NE ARG A 68 -19.201 -0.546 -5.317 1.00 0.00 N ATOM 1036 CZ ARG A 68 -18.657 -1.748 -5.494 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -18.740 -2.351 -6.673 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -18.030 -2.346 -4.491 1.00 0.00 N ATOM 0 H ARG A 68 -19.262 3.354 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.841 3.523 -6.560 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.088 2.471 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.127 2.879 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.200 0.925 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.705 1.356 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.487 -0.515 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.184 0.656 -7.030 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.119 -0.111 -4.398 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.222 -1.894 -7.447 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -18.322 -3.272 -6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.964 -1.885 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.613 -3.267 -4.627 1.00 0.00 H new ATOM 1052 N THR A 69 -19.792 5.922 -6.452 1.00 0.00 N ATOM 1053 CA THR A 69 -19.509 7.243 -5.904 1.00 0.00 C ATOM 1054 C THR A 69 -19.856 8.341 -6.907 1.00 0.00 C ATOM 1055 O THR A 69 -19.107 8.587 -7.852 1.00 0.00 O ATOM 1056 CB THR A 69 -18.028 7.380 -5.504 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.589 6.191 -4.836 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.823 8.582 -4.596 1.00 0.00 C ATOM 0 H THR A 69 -19.363 5.741 -7.359 1.00 0.00 H new ATOM 0 HA THR A 69 -20.130 7.356 -5.015 1.00 0.00 H new ATOM 0 HB THR A 69 -17.441 7.525 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.466 5.474 -5.492 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.770 8.659 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.131 9.488 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.421 8.462 -3.693 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.003 9.019 -6.713 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.445 10.095 -7.607 1.00 0.00 C ATOM 1068 C PRO A 70 -20.387 11.181 -7.771 1.00 0.00 C ATOM 1069 O PRO A 70 -20.168 11.990 -6.868 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.685 10.659 -6.906 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.179 9.545 -6.051 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.956 8.790 -5.612 1.00 0.00 C ATOM 0 HA PRO A 70 -21.640 9.730 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.437 11.536 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.441 10.969 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.732 9.927 -5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.859 8.899 -6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.572 9.164 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.166 7.729 -5.475 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.733 11.191 -8.927 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.704 12.180 -9.190 1.00 0.00 C ATOM 1082 C GLY A 71 -17.425 11.560 -9.717 1.00 0.00 C ATOM 1083 O GLY A 71 -16.387 12.221 -9.779 1.00 0.00 O ATOM 0 H GLY A 71 -19.897 10.531 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.078 12.905 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.488 12.727 -8.273 1.00 0.00 H new ATOM 1087 N SER A 72 -17.498 10.289 -10.101 1.00 0.00 N ATOM 1088 CA SER A 72 -16.338 9.579 -10.627 1.00 0.00 C ATOM 1089 C SER A 72 -15.826 10.246 -11.900 1.00 0.00 C ATOM 1090 O SER A 72 -16.523 10.286 -12.914 1.00 0.00 O ATOM 1091 CB SER A 72 -16.692 8.118 -10.908 1.00 0.00 C ATOM 1092 OG SER A 72 -15.651 7.251 -10.493 1.00 0.00 O ATOM 0 H SER A 72 -18.350 9.730 -10.057 1.00 0.00 H new ATOM 0 HA SER A 72 -15.549 9.615 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.614 7.858 -10.389 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.877 7.984 -11.974 1.00 0.00 H new ATOM 0 HG SER A 72 -15.976 6.671 -9.773 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.606 10.770 -11.839 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.003 11.438 -12.986 1.00 0.00 C ATOM 1100 C ARG A 73 -13.639 10.434 -14.075 1.00 0.00 C ATOM 1101 O ARG A 73 -13.831 10.700 -15.263 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.755 12.211 -12.552 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.995 13.701 -12.373 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.946 14.526 -13.101 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.957 15.923 -12.678 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.347 16.901 -13.341 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -10.679 16.634 -14.456 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.404 18.146 -12.891 1.00 0.00 N ATOM 0 H ARG A 73 -14.016 10.745 -11.007 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.734 12.136 -13.393 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.388 11.795 -11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.970 12.064 -13.294 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.986 13.958 -12.747 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.981 13.948 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.959 14.100 -12.919 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.123 14.471 -14.175 1.00 0.00 H new ATOM 0 HE ARG A 73 -12.462 16.163 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.633 15.677 -14.806 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.212 17.386 -14.963 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.917 18.356 -12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.935 18.895 -13.401 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.102 9.288 -13.661 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.696 8.242 -14.598 1.00 0.00 C ATOM 1124 C ASN A 74 -11.497 8.712 -15.408 1.00 0.00 C ATOM 1125 O ASN A 74 -11.360 8.400 -16.591 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.852 7.866 -15.530 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.727 6.452 -16.064 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.237 5.557 -15.376 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.171 6.245 -17.299 1.00 0.00 N ATOM 0 H ASN A 74 -12.938 9.060 -12.681 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.418 7.355 -14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.795 7.967 -14.993 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.884 8.566 -16.365 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.113 5.314 -17.713 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.570 7.017 -17.834 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.620 9.451 -14.738 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.408 9.963 -15.339 1.00 0.00 C ATOM 1138 C LEU A 75 -8.565 8.840 -15.867 1.00 0.00 C ATOM 1139 O LEU A 75 -8.079 8.843 -16.998 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.626 10.668 -14.255 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.859 12.175 -14.156 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.158 12.753 -12.938 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.395 12.874 -15.425 1.00 0.00 C ATOM 0 H LEU A 75 -10.736 9.709 -13.758 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.662 10.632 -16.161 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.876 10.215 -13.296 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.564 10.492 -14.423 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.930 12.345 -14.043 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.339 13.827 -12.890 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.545 12.279 -12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.086 12.569 -13.013 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.570 13.946 -15.334 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.331 12.691 -15.573 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.952 12.487 -16.278 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.415 7.888 -14.993 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.652 6.705 -15.243 1.00 0.00 C ATOM 1157 C CYS A 76 -8.412 5.793 -16.197 1.00 0.00 C ATOM 1158 O CYS A 76 -7.819 5.077 -17.003 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.427 6.041 -13.907 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.735 5.442 -13.625 1.00 0.00 S ATOM 0 H CYS A 76 -8.832 7.916 -14.063 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.695 6.934 -15.713 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.682 6.749 -13.118 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.114 5.200 -13.815 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.739 5.836 -16.086 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.609 5.020 -16.924 1.00 0.00 C ATOM 1167 C ASN A 77 -10.216 3.559 -16.795 1.00 0.00 C ATOM 1168 O ASN A 77 -9.978 2.873 -17.789 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.521 5.467 -18.385 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.835 5.294 -19.122 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.492 4.259 -19.010 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.225 6.311 -19.881 1.00 0.00 N ATOM 0 H ASN A 77 -10.234 6.430 -15.421 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.639 5.145 -16.591 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.220 6.514 -18.424 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.745 4.893 -18.892 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.101 6.253 -20.401 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.649 7.150 -19.945 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.129 3.101 -15.554 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.741 1.730 -15.277 1.00 0.00 C ATOM 1181 C ILE A 78 -10.798 1.002 -14.455 1.00 0.00 C ATOM 1182 O ILE A 78 -11.584 1.629 -13.748 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.392 1.679 -14.529 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.610 1.460 -13.021 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.618 2.956 -14.792 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.607 2.172 -12.134 1.00 0.00 C ATOM 0 H ILE A 78 -10.323 3.661 -14.724 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.641 1.229 -16.240 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.810 0.835 -14.899 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.613 1.797 -12.758 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.568 0.391 -12.811 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.665 2.919 -14.263 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.436 3.057 -15.862 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.196 3.811 -14.440 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.834 1.964 -11.088 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.602 1.818 -12.365 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.663 3.246 -12.311 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.816 -0.340 -14.511 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.755 -1.139 -13.740 1.00 0.00 C ATOM 1200 C PRO A 79 -11.278 -1.245 -12.297 1.00 0.00 C ATOM 1201 O PRO A 79 -10.270 -1.893 -12.015 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.733 -2.513 -14.428 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.769 -2.394 -15.571 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.917 -1.188 -15.296 1.00 0.00 C ATOM 0 HA PRO A 79 -12.758 -0.712 -13.708 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.418 -3.291 -13.733 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.726 -2.786 -14.784 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.155 -3.291 -15.654 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.301 -2.284 -16.516 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.015 -1.446 -14.742 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.597 -0.699 -16.216 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.987 -0.585 -11.391 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.614 -0.584 -9.982 1.00 0.00 C ATOM 1214 C CYS A 80 -11.612 -1.995 -9.394 1.00 0.00 C ATOM 1215 O CYS A 80 -10.590 -2.463 -8.900 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.557 0.332 -9.199 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.181 1.749 -10.170 1.00 0.00 S ATOM 0 H CYS A 80 -12.824 -0.043 -11.606 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.596 -0.204 -9.900 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.404 -0.254 -8.842 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.036 0.708 -8.319 1.00 0.00 H new ATOM 1222 N SER A 81 -12.760 -2.663 -9.432 1.00 0.00 N ATOM 1223 CA SER A 81 -12.881 -4.015 -8.884 1.00 0.00 C ATOM 1224 C SER A 81 -11.849 -4.977 -9.483 1.00 0.00 C ATOM 1225 O SER A 81 -11.507 -5.987 -8.867 1.00 0.00 O ATOM 1226 CB SER A 81 -14.290 -4.555 -9.126 1.00 0.00 C ATOM 1227 OG SER A 81 -14.474 -4.913 -10.485 1.00 0.00 O ATOM 0 H SER A 81 -13.621 -2.293 -9.835 1.00 0.00 H new ATOM 0 HA SER A 81 -12.688 -3.948 -7.813 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.463 -5.424 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.025 -3.802 -8.843 1.00 0.00 H new ATOM 0 HG SER A 81 -15.383 -5.257 -10.613 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.365 -4.670 -10.684 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.384 -5.527 -11.355 1.00 0.00 C ATOM 1235 C ALA A 82 -9.013 -5.455 -10.685 1.00 0.00 C ATOM 1236 O ALA A 82 -8.110 -6.223 -11.017 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.272 -5.149 -12.823 1.00 0.00 C ATOM 0 H ALA A 82 -11.633 -3.840 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.736 -6.555 -11.274 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.540 -5.793 -13.310 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.242 -5.272 -13.305 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.954 -4.110 -12.908 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.865 -4.530 -9.746 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.599 -4.361 -9.036 1.00 0.00 C ATOM 1245 C LEU A 83 -7.673 -4.944 -7.629 1.00 0.00 C ATOM 1246 O LEU A 83 -6.670 -5.001 -6.919 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.212 -2.879 -8.968 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.871 -2.077 -7.843 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.940 -1.966 -6.645 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.265 -0.694 -8.341 1.00 0.00 C ATOM 0 H LEU A 83 -9.601 -3.886 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.834 -4.902 -9.592 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.130 -2.809 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.464 -2.412 -9.920 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.772 -2.603 -7.527 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.428 -1.392 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.704 -2.963 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.021 -1.463 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.732 -0.135 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.376 -0.163 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.969 -0.792 -9.167 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.868 -5.351 -7.223 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.071 -5.900 -5.890 1.00 0.00 C ATOM 1264 C LEU A 84 -9.049 -7.428 -5.884 1.00 0.00 C ATOM 1265 O LEU A 84 -8.947 -8.042 -4.822 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.397 -5.386 -5.327 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.771 -3.973 -5.779 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.189 -3.632 -5.359 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.786 -2.957 -5.219 1.00 0.00 C ATOM 0 H LEU A 84 -9.710 -5.311 -7.797 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.245 -5.568 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.192 -6.071 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.347 -5.405 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.722 -3.937 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.434 -2.623 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.883 -4.341 -5.811 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.270 -3.687 -4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.067 -1.957 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.802 -2.996 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.782 -3.189 -5.575 1.00 0.00 H new ATOM 1281 N SER A 85 -9.164 -8.043 -7.060 1.00 0.00 N ATOM 1282 CA SER A 85 -9.171 -9.503 -7.154 1.00 0.00 C ATOM 1283 C SER A 85 -7.777 -10.092 -6.974 1.00 0.00 C ATOM 1284 O SER A 85 -7.385 -11.031 -7.668 1.00 0.00 O ATOM 1285 CB SER A 85 -9.770 -9.953 -8.488 1.00 0.00 C ATOM 1286 OG SER A 85 -10.666 -8.981 -9.000 1.00 0.00 O ATOM 0 H SER A 85 -9.253 -7.559 -7.954 1.00 0.00 H new ATOM 0 HA SER A 85 -9.793 -9.877 -6.341 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.971 -10.130 -9.208 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.293 -10.900 -8.354 1.00 0.00 H new ATOM 0 HG SER A 85 -11.033 -9.292 -9.854 1.00 0.00 H new ATOM 1292 N SER A 86 -7.043 -9.519 -6.036 1.00 0.00 N ATOM 1293 CA SER A 86 -5.681 -9.947 -5.724 1.00 0.00 C ATOM 1294 C SER A 86 -4.793 -9.641 -6.904 1.00 0.00 C ATOM 1295 O SER A 86 -3.775 -10.292 -7.138 1.00 0.00 O ATOM 1296 CB SER A 86 -5.639 -11.442 -5.395 1.00 0.00 C ATOM 1297 OG SER A 86 -6.468 -11.746 -4.287 1.00 0.00 O ATOM 0 H SER A 86 -7.372 -8.741 -5.465 1.00 0.00 H new ATOM 0 HA SER A 86 -5.326 -9.407 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.962 -12.017 -6.263 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.613 -11.741 -5.178 1.00 0.00 H new ATOM 0 HG SER A 86 -7.408 -11.647 -4.545 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.229 -8.654 -7.663 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.547 -8.231 -8.862 1.00 0.00 C ATOM 1305 C ASP A 87 -4.159 -6.761 -8.779 1.00 0.00 C ATOM 1306 O ASP A 87 -5.026 -5.887 -8.775 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.497 -8.456 -10.026 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.818 -8.345 -11.376 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.792 -9.027 -11.584 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.311 -7.574 -12.227 1.00 0.00 O ATOM 0 H ASP A 87 -6.075 -8.121 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.628 -8.802 -8.992 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.949 -9.444 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.307 -7.729 -9.972 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.861 -6.483 -8.718 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.396 -5.105 -8.641 1.00 0.00 C ATOM 1317 C ILE A 88 -2.291 -4.484 -10.024 1.00 0.00 C ATOM 1318 O ILE A 88 -2.006 -3.300 -10.151 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.028 -4.983 -7.940 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.191 -6.247 -8.153 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.218 -4.706 -6.458 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.298 -5.983 -8.199 1.00 0.00 C ATOM 0 H ILE A 88 -2.121 -7.185 -8.720 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.139 -4.571 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.488 -4.146 -8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.402 -6.953 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.497 -6.723 -9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.244 -4.622 -5.976 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.768 -3.774 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.779 -5.523 -6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.829 -6.922 -8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.521 -5.301 -9.020 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.617 -5.535 -7.258 1.00 0.00 H new ATOM 1334 N THR A 89 -2.508 -5.290 -11.059 1.00 0.00 N ATOM 1335 CA THR A 89 -2.425 -4.807 -12.433 1.00 0.00 C ATOM 1336 C THR A 89 -3.197 -3.503 -12.614 1.00 0.00 C ATOM 1337 O THR A 89 -2.632 -2.496 -13.033 1.00 0.00 O ATOM 1338 CB THR A 89 -2.964 -5.850 -13.429 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.468 -7.152 -13.092 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.556 -5.501 -14.852 1.00 0.00 C ATOM 0 H THR A 89 -2.742 -6.279 -10.972 1.00 0.00 H new ATOM 0 HA THR A 89 -1.369 -4.629 -12.637 1.00 0.00 H new ATOM 0 HB THR A 89 -4.052 -5.848 -13.369 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.817 -7.810 -13.729 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.948 -6.252 -15.538 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.958 -4.523 -15.116 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.469 -5.477 -14.923 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.492 -3.531 -12.311 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.333 -2.359 -12.454 1.00 0.00 C ATOM 1350 C ALA A 90 -4.885 -1.220 -11.537 1.00 0.00 C ATOM 1351 O ALA A 90 -4.800 -0.067 -11.964 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.788 -2.717 -12.193 1.00 0.00 C ATOM 0 H ALA A 90 -4.978 -4.358 -11.964 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.234 -2.006 -13.481 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.407 -1.827 -12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.110 -3.475 -12.907 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.891 -3.106 -11.180 1.00 0.00 H new ATOM 1358 N SER A 91 -4.589 -1.548 -10.280 1.00 0.00 N ATOM 1359 CA SER A 91 -4.138 -0.550 -9.311 1.00 0.00 C ATOM 1360 C SER A 91 -2.827 0.087 -9.746 1.00 0.00 C ATOM 1361 O SER A 91 -2.596 1.279 -9.531 1.00 0.00 O ATOM 1362 CB SER A 91 -3.963 -1.191 -7.934 1.00 0.00 C ATOM 1363 OG SER A 91 -4.167 -2.592 -7.992 1.00 0.00 O ATOM 0 H SER A 91 -4.653 -2.496 -9.909 1.00 0.00 H new ATOM 0 HA SER A 91 -4.899 0.228 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.962 -0.982 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.668 -0.747 -7.231 1.00 0.00 H new ATOM 0 HG SER A 91 -4.158 -2.962 -7.084 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.974 -0.715 -10.360 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.693 -0.216 -10.817 1.00 0.00 C ATOM 1371 C VAL A 92 -0.850 0.600 -12.077 1.00 0.00 C ATOM 1372 O VAL A 92 -0.353 1.708 -12.150 1.00 0.00 O ATOM 1373 CB VAL A 92 0.346 -1.321 -11.074 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.563 -0.728 -11.783 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.750 -1.993 -9.771 1.00 0.00 C ATOM 0 H VAL A 92 -2.144 -1.702 -10.551 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.321 0.404 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.097 -2.083 -11.716 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.297 -1.513 -11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.254 -0.294 -12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.007 0.047 -11.158 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.485 -2.771 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.183 -1.252 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.128 -2.438 -9.303 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.541 0.057 -13.068 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.745 0.761 -14.306 1.00 0.00 C ATOM 1387 C ASN A 93 -2.156 2.197 -14.035 1.00 0.00 C ATOM 1388 O ASN A 93 -1.726 3.127 -14.721 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.784 0.038 -15.143 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.973 0.908 -15.506 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.081 0.718 -14.801 1.00 0.00 O flip ATOM 1392 ND2 ASN A 93 -3.895 1.741 -16.408 1.00 0.00 N flip ATOM 0 H ASN A 93 -1.966 -0.869 -13.030 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.810 0.784 -14.866 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.315 -0.325 -16.058 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.136 -0.837 -14.597 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.023 1.853 -16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.703 2.319 -16.639 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.975 2.367 -13.007 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.432 3.684 -12.620 1.00 0.00 C ATOM 1401 C CYS A 94 -2.275 4.513 -12.085 1.00 0.00 C ATOM 1402 O CYS A 94 -2.079 5.653 -12.503 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.535 3.587 -11.569 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.731 4.952 -11.654 1.00 0.00 S ATOM 0 H CYS A 94 -3.334 1.607 -12.429 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.838 4.175 -13.505 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.064 2.642 -11.693 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.082 3.571 -10.578 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.506 3.939 -11.160 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.373 4.656 -10.586 1.00 0.00 C ATOM 1411 C ALA A 95 0.728 4.830 -11.616 1.00 0.00 C ATOM 1412 O ALA A 95 1.384 5.860 -11.656 1.00 0.00 O ATOM 1413 CB ALA A 95 0.156 3.967 -9.354 1.00 0.00 C ATOM 0 H ALA A 95 -1.645 2.995 -10.798 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.727 5.642 -10.285 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.999 4.531 -8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.631 3.911 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.483 2.960 -9.612 1.00 0.00 H new ATOM 1419 N LYS A 96 0.907 3.826 -12.469 1.00 0.00 N ATOM 1420 CA LYS A 96 1.903 3.902 -13.519 1.00 0.00 C ATOM 1421 C LYS A 96 1.664 5.208 -14.261 1.00 0.00 C ATOM 1422 O LYS A 96 2.589 5.932 -14.637 1.00 0.00 O ATOM 1423 CB LYS A 96 1.768 2.716 -14.478 1.00 0.00 C ATOM 1424 CG LYS A 96 3.022 2.449 -15.296 1.00 0.00 C ATOM 1425 CD LYS A 96 2.764 2.623 -16.783 1.00 0.00 C ATOM 1426 CE LYS A 96 2.533 1.286 -17.469 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.257 1.267 -18.236 1.00 0.00 N ATOM 0 H LYS A 96 0.375 2.956 -12.450 1.00 0.00 H new ATOM 0 HA LYS A 96 2.908 3.868 -13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.521 1.822 -13.905 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.935 2.901 -15.156 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.814 3.128 -14.981 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.375 1.436 -15.103 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.894 3.263 -16.930 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.613 3.128 -17.244 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.364 1.075 -18.142 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.519 0.493 -16.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.138 0.338 -18.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.461 1.443 -17.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.280 2.007 -18.966 1.00 0.00 H new ATOM 1441 N LYS A 97 0.376 5.506 -14.402 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.078 6.730 -15.035 1.00 0.00 C ATOM 1443 C LYS A 97 0.041 7.889 -14.052 1.00 0.00 C ATOM 1444 O LYS A 97 0.313 9.024 -14.444 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.525 6.587 -15.513 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.852 7.438 -16.729 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.311 7.301 -17.129 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.583 7.948 -18.477 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.837 6.936 -19.538 1.00 0.00 N ATOM 0 H LYS A 97 -0.380 4.902 -14.079 1.00 0.00 H new ATOM 0 HA LYS A 97 0.549 6.930 -15.904 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.719 5.541 -15.750 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.196 6.859 -14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.629 8.483 -16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.216 7.142 -17.563 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.580 6.246 -17.170 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.942 7.762 -16.369 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.444 8.611 -18.394 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.731 8.566 -18.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.018 7.418 -20.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.006 6.319 -19.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.665 6.363 -19.280 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.148 7.589 -12.766 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.042 8.603 -11.728 1.00 0.00 C ATOM 1465 C ILE A 98 1.369 9.184 -11.703 1.00 0.00 C ATOM 1466 O ILE A 98 1.560 10.400 -11.727 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.402 8.050 -10.332 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.893 7.701 -10.272 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.053 9.066 -9.253 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.303 7.001 -8.993 1.00 0.00 C ATOM 0 H ILE A 98 -0.374 6.655 -12.424 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.761 9.386 -11.969 1.00 0.00 H new ATOM 0 HB ILE A 98 0.178 7.144 -10.155 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.476 8.616 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.143 7.064 -11.121 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.313 8.662 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.016 9.279 -9.286 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.612 9.986 -9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.371 6.786 -9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.747 6.068 -8.894 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.086 7.644 -8.140 1.00 0.00 H new ATOM 1482 N VAL A 99 2.352 8.291 -11.657 1.00 0.00 N ATOM 1483 CA VAL A 99 3.753 8.678 -11.631 1.00 0.00 C ATOM 1484 C VAL A 99 4.217 9.176 -12.998 1.00 0.00 C ATOM 1485 O VAL A 99 5.200 9.911 -13.096 1.00 0.00 O ATOM 1486 CB VAL A 99 4.650 7.517 -11.167 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.931 6.551 -12.309 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.945 8.051 -10.576 1.00 0.00 C ATOM 0 H VAL A 99 2.198 7.283 -11.637 1.00 0.00 H new ATOM 0 HA VAL A 99 3.843 9.493 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 99 4.119 6.966 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.567 5.741 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.991 6.139 -12.677 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.436 7.080 -13.117 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.568 7.217 -10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.477 8.631 -11.330 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.719 8.688 -9.721 1.00 0.00 H new ATOM 1498 N SER A 100 3.493 8.791 -14.048 1.00 0.00 N ATOM 1499 CA SER A 100 3.828 9.225 -15.400 1.00 0.00 C ATOM 1500 C SER A 100 3.153 10.559 -15.703 1.00 0.00 C ATOM 1501 O SER A 100 3.424 11.191 -16.725 1.00 0.00 O ATOM 1502 CB SER A 100 3.397 8.174 -16.425 1.00 0.00 C ATOM 1503 OG SER A 100 3.913 8.471 -17.710 1.00 0.00 O ATOM 0 H SER A 100 2.676 8.183 -13.988 1.00 0.00 H new ATOM 0 HA SER A 100 4.909 9.350 -15.466 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.744 7.190 -16.109 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.309 8.129 -16.468 1.00 0.00 H new ATOM 0 HG SER A 100 3.933 9.442 -17.838 1.00 0.00 H new ATOM 1509 N ASP A 101 2.273 10.976 -14.799 1.00 0.00 N ATOM 1510 CA ASP A 101 1.550 12.234 -14.947 1.00 0.00 C ATOM 1511 C ASP A 101 2.221 13.344 -14.143 1.00 0.00 C ATOM 1512 O ASP A 101 1.835 14.509 -14.230 1.00 0.00 O ATOM 1513 CB ASP A 101 0.098 12.070 -14.496 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.807 13.151 -15.054 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.983 13.198 -16.290 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.340 13.951 -14.256 1.00 0.00 O ATOM 0 H ASP A 101 2.042 10.458 -13.951 1.00 0.00 H new ATOM 0 HA ASP A 101 1.566 12.511 -16.001 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.269 11.094 -14.812 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.054 12.090 -13.407 1.00 0.00 H new ATOM 1521 N GLY A 102 3.231 12.970 -13.361 1.00 0.00 N ATOM 1522 CA GLY A 102 3.943 13.942 -12.552 1.00 0.00 C ATOM 1523 C GLY A 102 3.662 13.784 -11.071 1.00 0.00 C ATOM 1524 O GLY A 102 3.372 14.760 -10.380 1.00 0.00 O ATOM 0 H GLY A 102 3.568 12.011 -13.274 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.014 13.841 -12.728 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.662 14.947 -12.866 1.00 0.00 H new ATOM 1528 N ASN A 103 3.748 12.551 -10.582 1.00 0.00 N ATOM 1529 CA ASN A 103 3.501 12.266 -9.173 1.00 0.00 C ATOM 1530 C ASN A 103 4.317 11.062 -8.713 1.00 0.00 C ATOM 1531 O ASN A 103 3.936 9.916 -8.946 1.00 0.00 O ATOM 1532 CB ASN A 103 2.011 12.009 -8.936 1.00 0.00 C ATOM 1533 CG ASN A 103 1.221 13.293 -8.781 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.537 14.132 -7.938 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.184 13.451 -9.595 1.00 0.00 N ATOM 0 H ASN A 103 3.987 11.732 -11.141 1.00 0.00 H new ATOM 0 HA ASN A 103 3.808 13.135 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.607 11.435 -9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.888 11.400 -8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.387 14.294 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.042 12.729 -10.279 1.00 0.00 H new ATOM 1542 N GLY A 104 5.438 11.331 -8.052 1.00 0.00 N ATOM 1543 CA GLY A 104 6.287 10.259 -7.567 1.00 0.00 C ATOM 1544 C GLY A 104 5.697 9.558 -6.360 1.00 0.00 C ATOM 1545 O GLY A 104 4.484 9.377 -6.273 1.00 0.00 O ATOM 0 H GLY A 104 5.773 12.271 -7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.443 9.533 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.265 10.663 -7.307 1.00 0.00 H new ATOM 1549 N MET A 105 6.556 9.178 -5.421 1.00 0.00 N ATOM 1550 CA MET A 105 6.120 8.509 -4.207 1.00 0.00 C ATOM 1551 C MET A 105 5.600 9.535 -3.218 1.00 0.00 C ATOM 1552 O MET A 105 5.164 9.198 -2.117 1.00 0.00 O ATOM 1553 CB MET A 105 7.283 7.736 -3.582 1.00 0.00 C ATOM 1554 CG MET A 105 8.304 7.242 -4.595 1.00 0.00 C ATOM 1555 SD MET A 105 7.576 6.166 -5.845 1.00 0.00 S ATOM 1556 CE MET A 105 6.490 5.171 -4.829 1.00 0.00 C ATOM 0 H MET A 105 7.564 9.324 -5.481 1.00 0.00 H new ATOM 0 HA MET A 105 5.324 7.808 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.785 8.376 -2.856 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.887 6.882 -3.033 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.769 8.098 -5.084 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.096 6.704 -4.074 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.355 4.193 -5.291 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.930 5.047 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.523 5.666 -4.737 1.00 0.00 H new ATOM 1566 N ASN A 106 5.664 10.796 -3.624 1.00 0.00 N ATOM 1567 CA ASN A 106 5.220 11.898 -2.792 1.00 0.00 C ATOM 1568 C ASN A 106 3.698 11.969 -2.740 1.00 0.00 C ATOM 1569 O ASN A 106 3.122 12.311 -1.707 1.00 0.00 O ATOM 1570 CB ASN A 106 5.791 13.206 -3.336 1.00 0.00 C ATOM 1571 CG ASN A 106 7.115 13.006 -4.048 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.149 12.799 -3.413 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.089 13.068 -5.373 1.00 0.00 N ATOM 0 H ASN A 106 6.024 11.079 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 106 5.581 11.736 -1.776 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.075 13.653 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.926 13.910 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.949 12.942 -5.906 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.209 13.242 -5.858 1.00 0.00 H new ATOM 1580 N ALA A 107 3.051 11.644 -3.859 1.00 0.00 N ATOM 1581 CA ALA A 107 1.593 11.672 -3.934 1.00 0.00 C ATOM 1582 C ALA A 107 0.979 10.922 -2.759 1.00 0.00 C ATOM 1583 O ALA A 107 0.084 11.428 -2.081 1.00 0.00 O ATOM 1584 CB ALA A 107 1.119 11.077 -5.251 1.00 0.00 C ATOM 0 H ALA A 107 3.513 11.359 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 107 1.267 12.711 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.030 11.105 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.528 11.655 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.459 10.044 -5.327 1.00 0.00 H new ATOM 1590 N TRP A 108 1.474 9.713 -2.524 1.00 0.00 N ATOM 1591 CA TRP A 108 0.985 8.886 -1.431 1.00 0.00 C ATOM 1592 C TRP A 108 1.591 9.353 -0.107 1.00 0.00 C ATOM 1593 O TRP A 108 2.804 9.526 0.008 1.00 0.00 O ATOM 1594 CB TRP A 108 1.300 7.415 -1.710 1.00 0.00 C ATOM 1595 CG TRP A 108 0.688 6.928 -2.994 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.586 6.469 -3.172 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.318 6.866 -4.281 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.786 6.124 -4.489 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.367 6.358 -5.191 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.592 7.190 -4.752 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.656 6.168 -6.545 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.876 7.001 -6.092 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.912 6.495 -6.974 1.00 0.00 C ATOM 0 H TRP A 108 2.215 9.284 -3.078 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.097 8.987 -1.353 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.381 7.280 -1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.935 6.806 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.329 6.388 -2.392 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.653 5.754 -4.879 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.343 7.581 -4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.085 5.778 -7.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.859 7.248 -6.466 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.167 6.360 -8.015 1.00 0.00 H new ATOM 1614 N VAL A 109 0.722 9.597 0.870 1.00 0.00 N ATOM 1615 CA VAL A 109 1.134 10.097 2.182 1.00 0.00 C ATOM 1616 C VAL A 109 1.830 9.054 3.047 1.00 0.00 C ATOM 1617 O VAL A 109 2.618 9.406 3.925 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.056 10.638 2.969 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.326 11.907 3.717 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.258 10.880 2.067 1.00 0.00 C ATOM 0 H VAL A 109 -0.284 9.455 0.777 1.00 0.00 H new ATOM 0 HA VAL A 109 1.848 10.890 1.961 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.342 9.882 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.537 12.276 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.138 11.690 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.651 12.665 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.087 11.265 2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.995 11.606 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.554 9.943 1.596 1.00 0.00 H new ATOM 1630 N ALA A 110 1.550 7.783 2.815 1.00 0.00 N ATOM 1631 CA ALA A 110 2.172 6.723 3.601 1.00 0.00 C ATOM 1632 C ALA A 110 3.665 6.647 3.327 1.00 0.00 C ATOM 1633 O ALA A 110 4.432 6.118 4.133 1.00 0.00 O ATOM 1634 CB ALA A 110 1.510 5.386 3.312 1.00 0.00 C ATOM 0 H ALA A 110 0.903 7.458 2.097 1.00 0.00 H new ATOM 0 HA ALA A 110 2.032 6.959 4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.987 4.608 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.452 5.441 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.615 5.149 2.253 1.00 0.00 H new ATOM 1640 N TRP A 111 4.072 7.193 2.191 1.00 0.00 N ATOM 1641 CA TRP A 111 5.477 7.198 1.820 1.00 0.00 C ATOM 1642 C TRP A 111 6.169 8.437 2.380 1.00 0.00 C ATOM 1643 O TRP A 111 7.323 8.371 2.800 1.00 0.00 O ATOM 1644 CB TRP A 111 5.646 7.119 0.299 1.00 0.00 C ATOM 1645 CG TRP A 111 7.079 7.146 -0.146 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.858 6.068 -0.458 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.905 8.303 -0.327 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.116 6.485 -0.821 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.170 7.851 -0.750 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.698 9.678 -0.176 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.220 8.724 -1.021 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.742 10.542 -0.446 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.989 10.063 -0.864 1.00 0.00 C ATOM 0 H TRP A 111 3.452 7.636 1.513 1.00 0.00 H new ATOM 0 HA TRP A 111 5.947 6.315 2.252 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.178 6.204 -0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.115 7.952 -0.161 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.533 5.039 -0.424 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.885 5.875 -1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.739 10.058 0.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.183 8.357 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.593 11.606 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.785 10.765 -1.067 1.00 0.00 H new ATOM 1664 N ARG A 112 5.462 9.566 2.405 1.00 0.00 N ATOM 1665 CA ARG A 112 6.017 10.804 2.941 1.00 0.00 C ATOM 1666 C ARG A 112 5.650 10.976 4.413 1.00 0.00 C ATOM 1667 O ARG A 112 5.274 12.067 4.843 1.00 0.00 O ATOM 1668 CB ARG A 112 5.494 11.992 2.152 1.00 0.00 C ATOM 1669 CG ARG A 112 6.546 12.669 1.289 1.00 0.00 C ATOM 1670 CD ARG A 112 5.973 13.865 0.547 1.00 0.00 C ATOM 1671 NE ARG A 112 5.347 14.824 1.454 1.00 0.00 N ATOM 1672 CZ ARG A 112 4.244 15.506 1.159 1.00 0.00 C ATOM 1673 NH1 ARG A 112 3.647 15.336 -0.013 1.00 0.00 N ATOM 1674 NH2 ARG A 112 3.736 16.360 2.038 1.00 0.00 N ATOM 0 H ARG A 112 4.505 9.647 2.060 1.00 0.00 H new ATOM 0 HA ARG A 112 7.102 10.752 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.674 11.660 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.082 12.724 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.378 12.992 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.946 11.952 0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.768 14.360 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.238 13.522 -0.181 1.00 0.00 H new ATOM 0 HE ARG A 112 5.780 14.979 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.034 14.680 -0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.801 15.861 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 112 4.191 16.494 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.890 16.883 1.811 1.00 0.00 H new ATOM 1688 N ASN A 113 5.760 9.904 5.175 1.00 0.00 N ATOM 1689 CA ASN A 113 5.438 9.952 6.597 1.00 0.00 C ATOM 1690 C ASN A 113 6.228 8.916 7.378 1.00 0.00 C ATOM 1691 O ASN A 113 7.074 9.256 8.207 1.00 0.00 O ATOM 1692 CB ASN A 113 3.939 9.730 6.808 1.00 0.00 C ATOM 1693 CG ASN A 113 3.280 10.881 7.544 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.628 11.729 6.937 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.450 10.915 8.860 1.00 0.00 N ATOM 0 H ASN A 113 6.068 8.991 4.839 1.00 0.00 H new ATOM 0 HA ASN A 113 5.712 10.940 6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.455 9.597 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.787 8.809 7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.032 11.666 9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.999 10.190 9.322 1.00 0.00 H new ATOM 1702 N ARG A 114 5.943 7.652 7.111 1.00 0.00 N ATOM 1703 CA ARG A 114 6.616 6.556 7.788 1.00 0.00 C ATOM 1704 C ARG A 114 7.739 5.985 6.933 1.00 0.00 C ATOM 1705 O ARG A 114 8.451 5.075 7.356 1.00 0.00 O ATOM 1706 CB ARG A 114 5.610 5.459 8.117 1.00 0.00 C ATOM 1707 CG ARG A 114 4.968 5.606 9.487 1.00 0.00 C ATOM 1708 CD ARG A 114 3.458 5.459 9.413 1.00 0.00 C ATOM 1709 NE ARG A 114 2.799 6.725 9.102 1.00 0.00 N ATOM 1710 CZ ARG A 114 1.908 7.309 9.900 1.00 0.00 C ATOM 1711 NH1 ARG A 114 1.571 6.743 11.050 1.00 0.00 N ATOM 1712 NH2 ARG A 114 1.355 8.461 9.545 1.00 0.00 N ATOM 0 H ARG A 114 5.246 7.359 6.426 1.00 0.00 H new ATOM 0 HA ARG A 114 7.053 6.942 8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.828 5.457 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.110 4.492 8.062 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.375 4.854 10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.220 6.581 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.203 4.721 8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.084 5.080 10.364 1.00 0.00 H new ATOM 0 HE ARG A 114 3.035 7.187 8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.995 5.857 11.326 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.888 7.193 11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.612 8.899 8.661 1.00 0.00 H new ATOM 0 HH22 ARG A 114 0.672 8.909 10.156 1.00 0.00 H new ATOM 1726 N CYS A 115 7.882 6.510 5.723 1.00 0.00 N ATOM 1727 CA CYS A 115 8.910 6.033 4.810 1.00 0.00 C ATOM 1728 C CYS A 115 9.993 7.077 4.570 1.00 0.00 C ATOM 1729 O CYS A 115 11.183 6.761 4.590 1.00 0.00 O ATOM 1730 CB CYS A 115 8.285 5.632 3.478 1.00 0.00 C ATOM 1731 SG CYS A 115 9.485 4.979 2.281 1.00 0.00 S ATOM 0 H CYS A 115 7.302 7.263 5.353 1.00 0.00 H new ATOM 0 HA CYS A 115 9.378 5.166 5.276 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.517 4.879 3.658 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.786 6.499 3.044 1.00 0.00 H new ATOM 1736 N LYS A 116 9.582 8.318 4.332 1.00 0.00 N ATOM 1737 CA LYS A 116 10.528 9.397 4.076 1.00 0.00 C ATOM 1738 C LYS A 116 11.455 9.609 5.269 1.00 0.00 C ATOM 1739 O LYS A 116 11.142 10.372 6.183 1.00 0.00 O ATOM 1740 CB LYS A 116 9.779 10.694 3.762 1.00 0.00 C ATOM 1741 CG LYS A 116 10.607 11.698 2.975 1.00 0.00 C ATOM 1742 CD LYS A 116 10.184 13.127 3.276 1.00 0.00 C ATOM 1743 CE LYS A 116 11.023 13.733 4.389 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.875 14.850 3.897 1.00 0.00 N ATOM 0 H LYS A 116 8.602 8.601 4.311 1.00 0.00 H new ATOM 0 HA LYS A 116 11.135 9.115 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.878 10.456 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.457 11.154 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.662 11.571 3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.500 11.503 1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.280 13.733 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.132 13.144 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.368 14.098 5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.655 12.961 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.431 15.236 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.518 14.497 3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.271 15.598 3.500 1.00 0.00 H new ATOM 1758 N GLY A 117 12.599 8.931 5.251 1.00 0.00 N ATOM 1759 CA GLY A 117 13.551 9.066 6.336 1.00 0.00 C ATOM 1760 C GLY A 117 14.244 7.762 6.684 1.00 0.00 C ATOM 1761 O GLY A 117 15.070 7.722 7.596 1.00 0.00 O ATOM 0 H GLY A 117 12.882 8.293 4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.301 9.808 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.036 9.444 7.219 1.00 0.00 H new ATOM 1765 N THR A 118 13.916 6.692 5.962 1.00 0.00 N ATOM 1766 CA THR A 118 14.523 5.389 6.214 1.00 0.00 C ATOM 1767 C THR A 118 15.238 4.870 4.967 1.00 0.00 C ATOM 1768 O THR A 118 15.729 5.654 4.155 1.00 0.00 O ATOM 1769 CB THR A 118 13.467 4.359 6.661 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.453 4.229 5.658 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.832 4.774 7.980 1.00 0.00 C ATOM 0 H THR A 118 13.236 6.702 5.201 1.00 0.00 H new ATOM 0 HA THR A 118 15.250 5.521 7.016 1.00 0.00 H new ATOM 0 HB THR A 118 13.964 3.399 6.800 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.050 5.105 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.090 4.032 8.276 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.602 4.844 8.748 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.349 5.744 7.862 1.00 0.00 H new ATOM 1779 N ASP A 119 15.297 3.548 4.819 1.00 0.00 N ATOM 1780 CA ASP A 119 15.957 2.937 3.671 1.00 0.00 C ATOM 1781 C ASP A 119 15.068 1.898 2.997 1.00 0.00 C ATOM 1782 O ASP A 119 14.825 0.822 3.546 1.00 0.00 O ATOM 1783 CB ASP A 119 17.262 2.305 4.088 1.00 0.00 C ATOM 1784 CG ASP A 119 18.296 2.318 2.979 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.960 3.361 2.799 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.442 1.287 2.291 1.00 0.00 O ATOM 0 H ASP A 119 14.896 2.882 5.479 1.00 0.00 H new ATOM 0 HA ASP A 119 16.155 3.729 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.657 2.835 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.080 1.276 4.399 1.00 0.00 H new ATOM 1791 N VAL A 120 14.590 2.227 1.801 1.00 0.00 N ATOM 1792 CA VAL A 120 13.731 1.333 1.038 1.00 0.00 C ATOM 1793 C VAL A 120 14.544 0.204 0.418 1.00 0.00 C ATOM 1794 O VAL A 120 14.056 -0.915 0.266 1.00 0.00 O ATOM 1795 CB VAL A 120 12.978 2.091 -0.074 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.223 3.275 0.506 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.939 2.549 -1.162 1.00 0.00 C ATOM 0 H VAL A 120 14.786 3.114 1.338 1.00 0.00 H new ATOM 0 HA VAL A 120 13.001 0.915 1.731 1.00 0.00 H new ATOM 0 HB VAL A 120 12.256 1.409 -0.524 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.698 3.798 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.502 2.921 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.927 3.956 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.386 3.081 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.688 3.213 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.432 1.682 -1.600 1.00 0.00 H new ATOM 1807 N GLN A 121 15.795 0.505 0.074 1.00 0.00 N ATOM 1808 CA GLN A 121 16.680 -0.490 -0.512 1.00 0.00 C ATOM 1809 C GLN A 121 16.836 -1.661 0.447 1.00 0.00 C ATOM 1810 O GLN A 121 17.115 -2.788 0.039 1.00 0.00 O ATOM 1811 CB GLN A 121 18.046 0.123 -0.823 1.00 0.00 C ATOM 1812 CG GLN A 121 18.477 -0.051 -2.270 1.00 0.00 C ATOM 1813 CD GLN A 121 19.340 -1.280 -2.478 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.981 -2.186 -3.230 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.487 -1.317 -1.809 1.00 0.00 N ATOM 0 H GLN A 121 16.214 1.427 0.192 1.00 0.00 H new ATOM 0 HA GLN A 121 16.244 -0.845 -1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.020 1.187 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.794 -0.330 -0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.592 -0.122 -2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 121 19.028 0.833 -2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.745 -0.544 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.110 -2.119 -1.908 1.00 0.00 H new ATOM 1824 N ALA A 122 16.636 -1.375 1.730 1.00 0.00 N ATOM 1825 CA ALA A 122 16.734 -2.389 2.768 1.00 0.00 C ATOM 1826 C ALA A 122 15.379 -3.045 3.000 1.00 0.00 C ATOM 1827 O ALA A 122 15.300 -4.154 3.529 1.00 0.00 O ATOM 1828 CB ALA A 122 17.258 -1.777 4.059 1.00 0.00 C ATOM 0 H ALA A 122 16.404 -0.443 2.074 1.00 0.00 H new ATOM 0 HA ALA A 122 17.436 -3.155 2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.326 -2.548 4.826 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.246 -1.351 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.578 -0.993 4.392 1.00 0.00 H new ATOM 1834 N TRP A 123 14.311 -2.356 2.596 1.00 0.00 N ATOM 1835 CA TRP A 123 12.959 -2.887 2.760 1.00 0.00 C ATOM 1836 C TRP A 123 12.756 -4.133 1.904 1.00 0.00 C ATOM 1837 O TRP A 123 11.830 -4.911 2.135 1.00 0.00 O ATOM 1838 CB TRP A 123 11.915 -1.833 2.388 1.00 0.00 C ATOM 1839 CG TRP A 123 11.483 -0.976 3.539 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.249 0.366 3.508 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.226 -1.395 4.888 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.869 0.807 4.751 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.849 -0.258 5.612 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.279 -2.618 5.556 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.529 -0.318 6.961 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.961 -2.673 6.895 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.589 -1.526 7.585 1.00 0.00 C ATOM 0 H TRP A 123 14.356 -1.437 2.156 1.00 0.00 H new ATOM 0 HA TRP A 123 12.834 -3.156 3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.321 -1.194 1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.041 -2.333 1.971 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.348 0.991 2.633 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.639 1.771 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.567 -3.515 5.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.240 0.571 7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.001 -3.619 7.415 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.343 -1.594 8.634 1.00 0.00 H new ATOM 1858 N ILE A 124 13.629 -4.318 0.920 1.00 0.00 N ATOM 1859 CA ILE A 124 13.548 -5.472 0.033 1.00 0.00 C ATOM 1860 C ILE A 124 14.790 -6.345 0.161 1.00 0.00 C ATOM 1861 O ILE A 124 15.021 -7.238 -0.653 1.00 0.00 O ATOM 1862 CB ILE A 124 13.379 -5.048 -1.438 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.354 -3.922 -1.786 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.944 -4.619 -1.705 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.820 -3.950 -3.225 1.00 0.00 C ATOM 0 H ILE A 124 14.401 -3.683 0.717 1.00 0.00 H new ATOM 0 HA ILE A 124 12.670 -6.042 0.336 1.00 0.00 H new ATOM 0 HB ILE A 124 13.605 -5.904 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.876 -2.963 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.222 -3.988 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.841 -4.322 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.271 -5.450 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.690 -3.776 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.509 -3.123 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.327 -4.894 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.960 -3.853 -3.888 1.00 0.00 H new ATOM 1877 N ARG A 125 15.585 -6.078 1.193 1.00 0.00 N ATOM 1878 CA ARG A 125 16.804 -6.837 1.435 1.00 0.00 C ATOM 1879 C ARG A 125 16.475 -8.291 1.757 1.00 0.00 C ATOM 1880 O ARG A 125 16.239 -8.644 2.912 1.00 0.00 O ATOM 1881 CB ARG A 125 17.600 -6.214 2.585 1.00 0.00 C ATOM 1882 CG ARG A 125 19.073 -6.590 2.579 1.00 0.00 C ATOM 1883 CD ARG A 125 19.949 -5.413 2.976 1.00 0.00 C ATOM 1884 NE ARG A 125 20.990 -5.801 3.922 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.779 -4.933 4.548 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.645 -3.632 4.330 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.703 -5.366 5.396 1.00 0.00 N ATOM 0 H ARG A 125 15.405 -5.341 1.875 1.00 0.00 H new ATOM 0 HA ARG A 125 17.410 -6.808 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.510 -5.129 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.158 -6.525 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.241 -7.419 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.357 -6.938 1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.410 -4.987 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.329 -4.633 3.418 1.00 0.00 H new ATOM 0 HE ARG A 125 21.120 -6.794 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.935 -3.294 3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.252 -2.969 4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.809 -6.366 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.308 -4.699 5.876 1.00 0.00 H new ATOM 1901 N GLY A 126 16.458 -9.128 0.726 1.00 0.00 N ATOM 1902 CA GLY A 126 16.153 -10.533 0.916 1.00 0.00 C ATOM 1903 C GLY A 126 15.418 -11.138 -0.265 1.00 0.00 C ATOM 1904 O GLY A 126 15.152 -12.340 -0.287 1.00 0.00 O ATOM 0 H GLY A 126 16.650 -8.858 -0.239 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.080 -11.082 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.547 -10.651 1.815 1.00 0.00 H new ATOM 1908 N CYS A 127 15.093 -10.308 -1.253 1.00 0.00 N ATOM 1909 CA CYS A 127 14.395 -10.770 -2.441 1.00 0.00 C ATOM 1910 C CYS A 127 15.261 -10.588 -3.679 1.00 0.00 C ATOM 1911 O CYS A 127 15.999 -9.609 -3.794 1.00 0.00 O ATOM 1912 CB CYS A 127 13.092 -10.018 -2.610 1.00 0.00 C ATOM 1913 SG CYS A 127 12.350 -9.440 -1.051 1.00 0.00 S ATOM 0 H CYS A 127 15.304 -9.310 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 127 14.181 -11.832 -2.319 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.264 -9.158 -3.257 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.378 -10.663 -3.121 1.00 0.00 H new ATOM 1918 N ARG A 128 15.165 -11.535 -4.601 1.00 0.00 N ATOM 1919 CA ARG A 128 15.939 -11.481 -5.836 1.00 0.00 C ATOM 1920 C ARG A 128 15.229 -12.255 -6.934 1.00 0.00 C ATOM 1921 O ARG A 128 15.781 -13.192 -7.513 1.00 0.00 O ATOM 1922 CB ARG A 128 17.345 -12.041 -5.615 1.00 0.00 C ATOM 1923 CG ARG A 128 18.398 -11.414 -6.512 1.00 0.00 C ATOM 1924 CD ARG A 128 19.412 -10.616 -5.708 1.00 0.00 C ATOM 1925 NE ARG A 128 20.399 -11.478 -5.062 1.00 0.00 N ATOM 1926 CZ ARG A 128 21.216 -11.069 -4.096 1.00 0.00 C ATOM 1927 NH1 ARG A 128 21.165 -9.816 -3.665 1.00 0.00 N ATOM 1928 NH2 ARG A 128 22.085 -11.915 -3.559 1.00 0.00 N ATOM 0 H ARG A 128 14.559 -12.351 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 128 16.029 -10.439 -6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 128 17.629 -11.887 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 128 17.329 -13.117 -5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 128 18.911 -12.195 -7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 128 17.916 -10.762 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 128 19.921 -9.911 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.893 -10.029 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 128 20.465 -12.448 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 128 20.498 -9.163 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.793 -9.506 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 128 22.127 -12.880 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 128 22.712 -11.601 -2.818 1.00 0.00 H new ATOM 1942 N LEU A 129 13.994 -11.860 -7.203 1.00 0.00 N ATOM 1943 CA LEU A 129 13.175 -12.508 -8.216 1.00 0.00 C ATOM 1944 C LEU A 129 13.270 -11.774 -9.549 1.00 0.00 C ATOM 1945 O LEU A 129 13.508 -10.549 -9.533 1.00 0.00 O ATOM 1946 CB LEU A 129 11.718 -12.555 -7.741 1.00 0.00 C ATOM 1947 CG LEU A 129 11.499 -12.091 -6.297 1.00 0.00 C ATOM 1948 CD1 LEU A 129 11.352 -10.577 -6.234 1.00 0.00 C ATOM 1949 CD2 LEU A 129 10.282 -12.771 -5.691 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.106 -12.431 -10.599 1.00 0.00 O ATOM 0 H LEU A 129 13.533 -11.084 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 129 13.543 -13.523 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.114 -11.934 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.351 -13.577 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 129 12.375 -12.375 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 129 11.197 -10.269 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.256 -10.107 -6.621 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.497 -10.269 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.146 -12.427 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.397 -12.524 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.429 -13.851 -5.694 1.00 0.00 H new TER 1962 LEU A 129