USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 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 89 SER OG : rot 75:sc= 1.44 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.324 K(o=1.1,f=0.36!) USER MOD Set 2.1: A 79 TYR OH : rot -133:sc= 1.48 USER MOD Set 2.2: A 104 LYS NZ :NH3+ 180:sc= 2.77 (180deg=1.65) USER MOD Set 3.1: A 38 ASN : amide:sc= 1.18 K(o=-0.55,f=-6.1!) USER MOD Set 3.2: A 45 ASN : amide:sc= -1.73! C(o=-0.55!,f=-0.89!) USER MOD Set 4.1: A 22 TYR OH : rot 29:sc= 0.224 USER MOD Set 4.2: A 101 GLN : amide:sc= -0.0249 K(o=0.2,f=-1.9!) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.938 K(o=1.8,f=-11!) USER MOD Set 5.2: A 13 GLN : amide:sc= 0.863 K(o=1.8,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= 0.968 (180deg=0.174) USER MOD Single : A 18 CYS SG : rot 81:sc= -2.68! USER MOD Single : A 20 SER OG : rot 89:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 66:sc= -3.97! USER MOD Single : A 41 THR OG1 : rot 24:sc= 1.25 USER MOD Single : A 42 SER OG : rot -69:sc= -0.128 USER MOD Single : A 47 GLN : amide:sc= -0.697 K(o=-0.7,f=0) USER MOD Single : A 49 ASN : amide:sc= -4.01! C(o=-4!,f=-6.2!) USER MOD Single : A 54 HIS : no HE2:sc= 0.0529 K(o=0.053,f=-3!) USER MOD Single : A 57 SER OG : rot 33:sc= 0.738 USER MOD Single : A 60 MET CE :methyl -132:sc= -2.45 (180deg=-6.3!) USER MOD Single : A 61 SER OG : rot 69:sc= 0.68 USER MOD Single : A 63 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.964) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= 0.936 (180deg=-0.0431) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 83:sc= 0.685 USER MOD Single : A 83 THR OG1 : rot 79:sc= -0.926! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 88 SER OG : rot 93:sc= 1.26 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.275 K(o=-0.28,f=-1.8) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 123:sc= 1.97 USER MOD Single : A 112 SER OG : rot 90:sc= 0.578 USER MOD Single : A 115 TYR OH : rot 39:sc= 0.932 USER MOD Single : A 117 SER OG : rot 33:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -9.411 -15.911 -4.449 1.00 0.00 N ATOM 92 CA LYS A 7 -8.122 -15.196 -4.380 1.00 0.00 C ATOM 93 C LYS A 7 -8.067 -14.003 -5.347 1.00 0.00 C ATOM 94 O LYS A 7 -7.344 -13.040 -5.094 1.00 0.00 O ATOM 95 CB LYS A 7 -6.943 -16.146 -4.620 1.00 0.00 C ATOM 96 CG LYS A 7 -6.408 -16.803 -3.348 1.00 0.00 C ATOM 97 CD LYS A 7 -7.405 -17.789 -2.742 1.00 0.00 C ATOM 98 CE LYS A 7 -8.160 -17.175 -1.558 1.00 0.00 C ATOM 99 NZ LYS A 7 -9.203 -18.091 -1.010 1.00 0.00 N ATOM 0 HA LYS A 7 -8.039 -14.798 -3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.253 -16.925 -5.317 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.135 -15.593 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.477 -17.323 -3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.172 -16.032 -2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.117 -18.102 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.877 -18.684 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.451 -16.924 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.629 -16.243 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.685 -17.630 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.897 -18.311 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.755 -18.971 -0.683 1.00 0.00 H new ATOM 113 N ARG A 8 -8.870 -14.046 -6.436 1.00 0.00 N ATOM 114 CA ARG A 8 -8.940 -12.917 -7.367 1.00 0.00 C ATOM 115 C ARG A 8 -9.256 -11.620 -6.615 1.00 0.00 C ATOM 116 O ARG A 8 -8.659 -10.573 -6.891 1.00 0.00 O ATOM 117 CB ARG A 8 -9.974 -13.166 -8.462 1.00 0.00 C ATOM 118 CG ARG A 8 -11.403 -13.205 -7.988 1.00 0.00 C ATOM 119 CD ARG A 8 -12.279 -13.749 -9.080 1.00 0.00 C ATOM 120 NE ARG A 8 -12.578 -15.182 -8.915 1.00 0.00 N ATOM 121 CZ ARG A 8 -13.598 -15.825 -9.529 1.00 0.00 C ATOM 122 NH1 ARG A 8 -14.399 -15.165 -10.375 1.00 0.00 N ATOM 123 NH2 ARG A 8 -13.803 -17.117 -9.292 1.00 0.00 N ATOM 0 H ARG A 8 -9.464 -14.838 -6.681 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.965 -12.815 -7.844 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.878 -12.385 -9.216 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.743 -14.112 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.485 -13.828 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.732 -12.204 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.213 -13.188 -9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.791 -13.593 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.976 -15.726 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.241 -14.174 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.167 -15.653 -10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.192 -17.621 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.571 -17.605 -9.753 1.00 0.00 H new ATOM 137 N HIS A 9 -10.150 -11.726 -5.607 1.00 0.00 N ATOM 138 CA HIS A 9 -10.497 -10.595 -4.754 1.00 0.00 C ATOM 139 C HIS A 9 -9.268 -10.122 -4.015 1.00 0.00 C ATOM 140 O HIS A 9 -8.953 -8.942 -4.044 1.00 0.00 O ATOM 141 CB HIS A 9 -11.594 -10.972 -3.745 1.00 0.00 C ATOM 142 CG HIS A 9 -12.812 -10.118 -3.839 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.087 -9.098 -2.954 1.00 0.00 N ATOM 144 CD2 HIS A 9 -13.836 -10.138 -4.722 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.236 -8.528 -3.288 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.711 -9.143 -4.361 1.00 0.00 N ATOM 0 H HIS A 9 -10.639 -12.590 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.879 -9.795 -5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.878 -12.013 -3.902 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.188 -10.901 -2.736 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -12.499 -8.825 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.946 -10.813 -5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.705 -7.703 -2.773 1.00 0.00 H new ATOM 155 N ASP A 10 -8.564 -11.063 -3.370 1.00 0.00 N ATOM 156 CA ASP A 10 -7.334 -10.757 -2.625 1.00 0.00 C ATOM 157 C ASP A 10 -6.356 -10.008 -3.517 1.00 0.00 C ATOM 158 O ASP A 10 -5.879 -8.924 -3.161 1.00 0.00 O ATOM 159 CB ASP A 10 -6.630 -12.039 -2.076 1.00 0.00 C ATOM 160 CG ASP A 10 -7.539 -13.089 -1.466 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.706 -12.795 -1.156 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.062 -14.230 -1.283 1.00 0.00 O ATOM 0 H ASP A 10 -8.827 -12.048 -3.349 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.629 -10.142 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.072 -12.500 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.903 -11.735 -1.323 1.00 0.00 H new ATOM 167 N VAL A 11 -6.066 -10.586 -4.692 1.00 0.00 N ATOM 168 CA VAL A 11 -5.150 -9.951 -5.647 1.00 0.00 C ATOM 169 C VAL A 11 -5.646 -8.542 -5.988 1.00 0.00 C ATOM 170 O VAL A 11 -4.926 -7.549 -5.760 1.00 0.00 O ATOM 171 CB VAL A 11 -4.964 -10.773 -6.971 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.706 -10.331 -7.699 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.910 -12.275 -6.703 1.00 0.00 C ATOM 0 H VAL A 11 -6.448 -11.480 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.176 -9.908 -5.159 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.832 -10.576 -7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.593 -10.911 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.782 -9.272 -7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.839 -10.492 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.781 -12.808 -7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.072 -12.497 -6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.839 -12.594 -6.230 1.00 0.00 H new ATOM 183 N ALA A 12 -6.893 -8.456 -6.492 1.00 0.00 N ATOM 184 CA ALA A 12 -7.502 -7.168 -6.830 1.00 0.00 C ATOM 185 C ALA A 12 -7.416 -6.220 -5.650 1.00 0.00 C ATOM 186 O ALA A 12 -6.827 -5.157 -5.761 1.00 0.00 O ATOM 187 CB ALA A 12 -8.956 -7.337 -7.275 1.00 0.00 C ATOM 0 H ALA A 12 -7.490 -9.263 -6.671 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.946 -6.743 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.378 -6.362 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.995 -7.979 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.533 -7.791 -6.469 1.00 0.00 H new ATOM 193 N GLN A 13 -7.946 -6.651 -4.501 1.00 0.00 N ATOM 194 CA GLN A 13 -7.894 -5.872 -3.258 1.00 0.00 C ATOM 195 C GLN A 13 -6.486 -5.333 -3.002 1.00 0.00 C ATOM 196 O GLN A 13 -6.319 -4.143 -2.729 1.00 0.00 O ATOM 197 CB GLN A 13 -8.351 -6.729 -2.060 1.00 0.00 C ATOM 198 CG GLN A 13 -9.844 -6.633 -1.744 1.00 0.00 C ATOM 199 CD GLN A 13 -10.360 -7.802 -0.909 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.468 -8.293 -1.135 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.577 -8.257 0.059 1.00 0.00 N ATOM 0 H GLN A 13 -8.422 -7.548 -4.405 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.573 -5.026 -3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.101 -7.771 -2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.786 -6.428 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.037 -5.702 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.404 -6.587 -2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.665 -7.829 0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.886 -9.035 0.642 1.00 0.00 H new ATOM 210 N LEU A 14 -5.473 -6.207 -3.102 1.00 0.00 N ATOM 211 CA LEU A 14 -4.084 -5.793 -2.872 1.00 0.00 C ATOM 212 C LEU A 14 -3.699 -4.668 -3.829 1.00 0.00 C ATOM 213 O LEU A 14 -3.211 -3.608 -3.401 1.00 0.00 O ATOM 214 CB LEU A 14 -3.110 -6.991 -3.009 1.00 0.00 C ATOM 215 CG LEU A 14 -1.883 -7.038 -2.051 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.855 -5.863 -1.080 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.852 -8.348 -1.280 1.00 0.00 C ATOM 0 H LEU A 14 -5.589 -7.193 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.007 -5.421 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.683 -7.907 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.737 -7.005 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.995 -6.966 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.980 -5.944 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.807 -4.929 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.758 -5.874 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.987 -8.360 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.763 -8.444 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.784 -9.181 -1.980 1.00 0.00 H new ATOM 229 N LYS A 15 -3.976 -4.879 -5.117 1.00 0.00 N ATOM 230 CA LYS A 15 -3.717 -3.871 -6.142 1.00 0.00 C ATOM 231 C LYS A 15 -4.536 -2.607 -5.850 1.00 0.00 C ATOM 232 O LYS A 15 -3.974 -1.525 -5.680 1.00 0.00 O ATOM 233 CB LYS A 15 -4.058 -4.435 -7.547 1.00 0.00 C ATOM 234 CG LYS A 15 -3.871 -3.461 -8.711 1.00 0.00 C ATOM 235 CD LYS A 15 -2.406 -3.034 -8.875 1.00 0.00 C ATOM 236 CE LYS A 15 -1.955 -3.037 -10.347 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.018 -2.587 -11.291 1.00 0.00 N ATOM 0 H LYS A 15 -4.382 -5.744 -5.474 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.659 -3.610 -6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.437 -5.313 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.094 -4.773 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.218 -3.927 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.490 -2.578 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.273 -2.035 -8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.768 -3.706 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.085 -2.389 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.638 -4.043 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.578 -2.162 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.596 -3.403 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.622 -1.882 -10.823 1.00 0.00 H new ATOM 251 N PHE A 16 -5.859 -2.775 -5.756 1.00 0.00 N ATOM 252 CA PHE A 16 -6.807 -1.680 -5.475 1.00 0.00 C ATOM 253 C PHE A 16 -6.328 -0.829 -4.306 1.00 0.00 C ATOM 254 O PHE A 16 -6.287 0.409 -4.410 1.00 0.00 O ATOM 255 CB PHE A 16 -8.211 -2.233 -5.145 1.00 0.00 C ATOM 256 CG PHE A 16 -8.951 -2.955 -6.265 1.00 0.00 C ATOM 257 CD1 PHE A 16 -8.313 -3.377 -7.427 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.296 -3.228 -6.127 1.00 0.00 C ATOM 259 CE1 PHE A 16 -9.011 -4.049 -8.412 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.992 -3.894 -7.112 1.00 0.00 C ATOM 261 CZ PHE A 16 -10.349 -4.305 -8.254 1.00 0.00 C ATOM 0 H PHE A 16 -6.311 -3.682 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.862 -1.065 -6.373 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.115 -2.920 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.832 -1.402 -4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.260 -3.177 -7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.812 -2.914 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.502 -4.373 -9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.046 -4.093 -6.986 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.895 -4.828 -9.025 1.00 0.00 H new ATOM 271 N LEU A 17 -5.980 -1.479 -3.191 1.00 0.00 N ATOM 272 CA LEU A 17 -5.500 -0.766 -2.003 1.00 0.00 C ATOM 273 C LEU A 17 -4.256 0.062 -2.349 1.00 0.00 C ATOM 274 O LEU A 17 -4.201 1.272 -2.069 1.00 0.00 O ATOM 275 CB LEU A 17 -5.181 -1.754 -0.856 1.00 0.00 C ATOM 276 CG LEU A 17 -6.306 -2.018 0.174 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.739 -0.740 0.873 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.500 -2.699 -0.471 1.00 0.00 C ATOM 0 H LEU A 17 -6.021 -2.493 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.290 -0.096 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.896 -2.708 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.310 -1.380 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.894 -2.690 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.530 -0.966 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.888 -0.306 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.110 -0.029 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.271 -2.870 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.898 -2.063 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.189 -3.654 -0.895 1.00 0.00 H new ATOM 290 N CYS A 18 -3.276 -0.586 -2.997 1.00 0.00 N ATOM 291 CA CYS A 18 -2.034 0.082 -3.423 1.00 0.00 C ATOM 292 C CYS A 18 -2.339 1.237 -4.382 1.00 0.00 C ATOM 293 O CYS A 18 -1.833 2.373 -4.196 1.00 0.00 O ATOM 294 CB CYS A 18 -1.093 -0.925 -4.098 1.00 0.00 C ATOM 295 SG CYS A 18 -0.479 -2.218 -2.993 1.00 0.00 S ATOM 0 H CYS A 18 -3.319 -1.576 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.545 0.488 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.617 -1.393 -4.931 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.243 -0.387 -4.517 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.384 -3.142 -2.861 1.00 0.00 H new ATOM 301 N GLU A 19 -3.154 0.939 -5.405 1.00 0.00 N ATOM 302 CA GLU A 19 -3.569 1.908 -6.414 1.00 0.00 C ATOM 303 C GLU A 19 -4.270 3.098 -5.764 1.00 0.00 C ATOM 304 O GLU A 19 -3.800 4.239 -5.878 1.00 0.00 O ATOM 305 CB GLU A 19 -4.518 1.232 -7.419 1.00 0.00 C ATOM 306 CG GLU A 19 -3.863 0.166 -8.285 1.00 0.00 C ATOM 307 CD GLU A 19 -4.688 -0.197 -9.478 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.901 -0.340 -9.346 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.122 -0.348 -10.560 1.00 0.00 O ATOM 0 H GLU A 19 -3.544 0.008 -5.551 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.682 2.271 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.345 0.780 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.945 1.997 -8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.888 0.523 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.688 -0.727 -7.685 1.00 0.00 H new ATOM 316 N SER A 20 -5.379 2.825 -5.071 1.00 0.00 N ATOM 317 CA SER A 20 -6.161 3.864 -4.392 1.00 0.00 C ATOM 318 C SER A 20 -5.267 4.757 -3.544 1.00 0.00 C ATOM 319 O SER A 20 -5.260 5.976 -3.712 1.00 0.00 O ATOM 320 CB SER A 20 -7.255 3.247 -3.509 1.00 0.00 C ATOM 321 OG SER A 20 -8.010 2.242 -4.207 1.00 0.00 O ATOM 0 H SER A 20 -5.759 1.884 -4.965 1.00 0.00 H new ATOM 0 HA SER A 20 -6.633 4.469 -5.166 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.799 2.807 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.928 4.032 -3.165 1.00 0.00 H new ATOM 0 HG SER A 20 -7.577 1.370 -4.095 1.00 0.00 H new ATOM 327 N LEU A 21 -4.486 4.131 -2.642 1.00 0.00 N ATOM 328 CA LEU A 21 -3.569 4.865 -1.754 1.00 0.00 C ATOM 329 C LEU A 21 -2.740 5.899 -2.506 1.00 0.00 C ATOM 330 O LEU A 21 -2.429 6.956 -1.959 1.00 0.00 O ATOM 331 CB LEU A 21 -2.653 3.915 -0.985 1.00 0.00 C ATOM 332 CG LEU A 21 -1.887 4.541 0.191 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.676 4.444 1.478 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.532 3.895 0.351 1.00 0.00 C ATOM 0 H LEU A 21 -4.473 3.120 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.197 5.397 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.253 3.088 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.930 3.491 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.743 5.598 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.106 4.896 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.624 4.970 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.868 3.396 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.007 4.353 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.657 2.829 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.048 4.036 -0.561 1.00 0.00 H new ATOM 346 N TYR A 22 -2.389 5.606 -3.755 1.00 0.00 N ATOM 347 CA TYR A 22 -1.628 6.558 -4.567 1.00 0.00 C ATOM 348 C TYR A 22 -2.362 7.900 -4.645 1.00 0.00 C ATOM 349 O TYR A 22 -1.747 8.952 -4.475 1.00 0.00 O ATOM 350 CB TYR A 22 -1.389 6.026 -5.994 1.00 0.00 C ATOM 351 CG TYR A 22 -0.042 6.388 -6.603 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.600 7.595 -6.305 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.589 5.517 -7.475 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.825 7.903 -6.856 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.809 5.824 -8.032 1.00 0.00 C ATOM 356 CZ TYR A 22 2.424 7.014 -7.721 1.00 0.00 C ATOM 357 OH TYR A 22 3.652 7.306 -8.258 1.00 0.00 O ATOM 0 H TYR A 22 -2.615 4.729 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.661 6.694 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.484 4.940 -5.980 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.177 6.407 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.128 8.296 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.115 4.579 -7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.312 8.835 -6.611 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.283 5.132 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 22 4.154 7.874 -7.637 1.00 0.00 H new ATOM 367 N ASP A 23 -3.678 7.849 -4.882 1.00 0.00 N ATOM 368 CA ASP A 23 -4.481 9.071 -5.004 1.00 0.00 C ATOM 369 C ASP A 23 -4.793 9.670 -3.663 1.00 0.00 C ATOM 370 O ASP A 23 -4.444 10.833 -3.409 1.00 0.00 O ATOM 371 CB ASP A 23 -5.781 8.833 -5.784 1.00 0.00 C ATOM 372 CG ASP A 23 -5.828 9.627 -7.048 1.00 0.00 C ATOM 373 OD1 ASP A 23 -5.689 10.858 -6.981 1.00 0.00 O ATOM 374 OD2 ASP A 23 -5.993 9.031 -8.112 1.00 0.00 O ATOM 0 H ASP A 23 -4.206 6.983 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.871 9.778 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.874 7.773 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.633 9.097 -5.158 1.00 0.00 H new ATOM 379 N GLU A 24 -5.446 8.889 -2.793 1.00 0.00 N ATOM 380 CA GLU A 24 -5.795 9.383 -1.444 1.00 0.00 C ATOM 381 C GLU A 24 -4.537 9.886 -0.729 1.00 0.00 C ATOM 382 O GLU A 24 -4.574 10.901 -0.016 1.00 0.00 O ATOM 383 CB GLU A 24 -6.552 8.329 -0.565 1.00 0.00 C ATOM 384 CG GLU A 24 -6.860 6.972 -1.219 1.00 0.00 C ATOM 385 CD GLU A 24 -8.035 7.025 -2.150 1.00 0.00 C ATOM 386 OE1 GLU A 24 -7.871 7.441 -3.300 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.132 6.643 -1.739 1.00 0.00 O ATOM 0 H GLU A 24 -5.740 7.932 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.493 10.208 -1.584 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.960 8.147 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.494 8.771 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.982 6.632 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.053 6.235 -0.440 1.00 0.00 H new ATOM 394 N GLY A 25 -3.413 9.192 -0.957 1.00 0.00 N ATOM 395 CA GLY A 25 -2.153 9.593 -0.384 1.00 0.00 C ATOM 396 C GLY A 25 -1.728 10.944 -0.884 1.00 0.00 C ATOM 397 O GLY A 25 -1.657 11.875 -0.103 1.00 0.00 O ATOM 0 H GLY A 25 -3.367 8.353 -1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.237 9.615 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.389 8.856 -0.630 1.00 0.00 H new ATOM 401 N ILE A 26 -1.511 11.080 -2.207 1.00 0.00 N ATOM 402 CA ILE A 26 -1.140 12.384 -2.794 1.00 0.00 C ATOM 403 C ILE A 26 -2.159 13.471 -2.396 1.00 0.00 C ATOM 404 O ILE A 26 -1.773 14.603 -2.046 1.00 0.00 O ATOM 405 CB ILE A 26 -0.998 12.313 -4.354 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.089 11.299 -4.752 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.668 13.685 -4.944 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.496 11.713 -4.364 1.00 0.00 C ATOM 0 H ILE A 26 -1.584 10.317 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.163 12.649 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.956 11.986 -4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.137 10.339 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.051 11.147 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.576 13.603 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.465 14.387 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.273 14.044 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.202 10.945 -4.680 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.745 12.656 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.554 11.836 -3.283 1.00 0.00 H new ATOM 420 N ALA A 27 -3.453 13.113 -2.394 1.00 0.00 N ATOM 421 CA ALA A 27 -4.514 14.040 -1.975 1.00 0.00 C ATOM 422 C ALA A 27 -4.235 14.571 -0.576 1.00 0.00 C ATOM 423 O ALA A 27 -4.374 15.766 -0.316 1.00 0.00 O ATOM 424 CB ALA A 27 -5.883 13.357 -2.011 1.00 0.00 C ATOM 0 H ALA A 27 -3.788 12.192 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.526 14.875 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.651 14.064 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.094 13.019 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.880 12.501 -1.336 1.00 0.00 H new ATOM 430 N THR A 28 -3.835 13.682 0.314 1.00 0.00 N ATOM 431 CA THR A 28 -3.535 14.050 1.681 1.00 0.00 C ATOM 432 C THR A 28 -2.096 14.587 1.842 1.00 0.00 C ATOM 433 O THR A 28 -1.848 15.427 2.699 1.00 0.00 O ATOM 434 CB THR A 28 -3.772 12.856 2.621 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.922 12.111 2.244 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.916 13.250 4.076 1.00 0.00 C ATOM 0 H THR A 28 -3.710 12.691 0.109 1.00 0.00 H new ATOM 0 HA THR A 28 -4.212 14.860 1.953 1.00 0.00 H new ATOM 0 HB THR A 28 -2.876 12.244 2.520 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.770 11.694 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.081 12.358 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.007 13.751 4.409 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.764 13.925 4.188 1.00 0.00 H new ATOM 444 N LEU A 29 -1.134 14.006 1.121 1.00 0.00 N ATOM 445 CA LEU A 29 0.282 14.344 1.305 1.00 0.00 C ATOM 446 C LEU A 29 0.696 15.665 0.635 1.00 0.00 C ATOM 447 O LEU A 29 1.719 16.242 1.016 1.00 0.00 O ATOM 448 CB LEU A 29 1.180 13.230 0.734 1.00 0.00 C ATOM 449 CG LEU A 29 1.118 11.853 1.413 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.273 10.740 0.387 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.198 11.734 2.467 1.00 0.00 C ATOM 0 H LEU A 29 -1.308 13.300 0.405 1.00 0.00 H new ATOM 0 HA LEU A 29 0.412 14.453 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.926 13.099 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.212 13.578 0.771 1.00 0.00 H new ATOM 0 HG LEU A 29 0.143 11.755 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.226 9.773 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.470 10.807 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.234 10.841 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.140 10.753 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.176 11.856 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.057 12.508 3.222 1.00 0.00 H new ATOM 576 N ASN A 38 0.791 18.011 7.976 1.00 0.00 N ATOM 577 CA ASN A 38 -0.313 17.137 7.619 1.00 0.00 C ATOM 578 C ASN A 38 -1.271 16.983 8.781 1.00 0.00 C ATOM 579 O ASN A 38 -0.900 17.229 9.941 1.00 0.00 O ATOM 580 CB ASN A 38 0.177 15.761 7.174 1.00 0.00 C ATOM 581 CG ASN A 38 -0.702 15.211 6.089 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.665 14.497 6.364 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.399 15.554 4.854 1.00 0.00 N ATOM 0 HA ASN A 38 -0.833 17.602 6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.204 15.833 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.184 15.079 8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.973 15.225 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.410 16.149 4.674 1.00 0.00 H new ATOM 590 N ASP A 39 -2.517 16.647 8.460 1.00 0.00 N ATOM 591 CA ASP A 39 -3.583 16.529 9.448 1.00 0.00 C ATOM 592 C ASP A 39 -3.892 15.066 9.746 1.00 0.00 C ATOM 593 O ASP A 39 -4.674 14.444 9.018 1.00 0.00 O ATOM 594 CB ASP A 39 -4.854 17.231 8.926 1.00 0.00 C ATOM 595 CG ASP A 39 -5.859 17.501 9.995 1.00 0.00 C ATOM 596 OD1 ASP A 39 -6.230 16.584 10.726 1.00 0.00 O ATOM 597 OD2 ASP A 39 -6.286 18.642 10.108 1.00 0.00 O ATOM 0 H ASP A 39 -2.816 16.449 7.505 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.251 17.005 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.573 18.173 8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.312 16.612 8.154 1.00 0.00 H new ATOM 602 N PRO A 40 -3.308 14.489 10.832 1.00 0.00 N ATOM 603 CA PRO A 40 -3.562 13.083 11.223 1.00 0.00 C ATOM 604 C PRO A 40 -5.059 12.770 11.443 1.00 0.00 C ATOM 605 O PRO A 40 -5.465 11.600 11.377 1.00 0.00 O ATOM 606 CB PRO A 40 -2.802 12.928 12.550 1.00 0.00 C ATOM 607 CG PRO A 40 -1.780 14.015 12.549 1.00 0.00 C ATOM 608 CD PRO A 40 -2.371 15.156 11.768 1.00 0.00 C ATOM 0 HA PRO A 40 -3.241 12.399 10.437 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.475 13.022 13.402 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.332 11.947 12.622 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.541 14.324 13.567 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.851 13.673 12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.888 15.862 12.418 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.603 15.717 11.235 1.00 0.00 H new ATOM 616 N THR A 41 -5.857 13.795 11.754 1.00 0.00 N ATOM 617 CA THR A 41 -7.285 13.602 12.034 1.00 0.00 C ATOM 618 C THR A 41 -8.186 13.770 10.793 1.00 0.00 C ATOM 619 O THR A 41 -9.383 13.414 10.836 1.00 0.00 O ATOM 620 CB THR A 41 -7.732 14.539 13.162 1.00 0.00 C ATOM 621 OG1 THR A 41 -7.435 15.923 12.893 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.096 14.202 14.469 1.00 0.00 C ATOM 0 H THR A 41 -5.542 14.763 11.818 1.00 0.00 H new ATOM 0 HA THR A 41 -7.403 12.565 12.350 1.00 0.00 H new ATOM 0 HB THR A 41 -8.811 14.395 13.216 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.356 16.059 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.446 14.895 15.234 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.364 13.184 14.752 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.013 14.280 14.377 1.00 0.00 H new ATOM 630 N SER A 42 -7.651 14.371 9.737 1.00 0.00 N ATOM 631 CA SER A 42 -8.406 14.630 8.533 1.00 0.00 C ATOM 632 C SER A 42 -8.958 13.332 7.938 1.00 0.00 C ATOM 633 O SER A 42 -8.279 12.291 7.961 1.00 0.00 O ATOM 634 CB SER A 42 -7.524 15.361 7.516 1.00 0.00 C ATOM 635 OG SER A 42 -6.376 14.593 7.151 1.00 0.00 O ATOM 0 H SER A 42 -6.683 14.689 9.698 1.00 0.00 H new ATOM 0 HA SER A 42 -9.256 15.264 8.785 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.109 15.584 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.203 16.315 7.934 1.00 0.00 H new ATOM 0 HG SER A 42 -5.763 14.539 7.914 1.00 0.00 H new ATOM 641 N ALA A 43 -10.188 13.386 7.406 1.00 0.00 N ATOM 642 CA ALA A 43 -10.817 12.197 6.801 1.00 0.00 C ATOM 643 C ALA A 43 -9.902 11.532 5.785 1.00 0.00 C ATOM 644 O ALA A 43 -9.846 10.311 5.718 1.00 0.00 O ATOM 645 CB ALA A 43 -12.158 12.527 6.153 1.00 0.00 C ATOM 0 H ALA A 43 -10.763 14.228 7.381 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.995 11.497 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.585 11.622 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.838 12.925 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.010 13.270 5.369 1.00 0.00 H new ATOM 651 N VAL A 44 -9.139 12.340 5.044 1.00 0.00 N ATOM 652 CA VAL A 44 -8.197 11.840 4.087 1.00 0.00 C ATOM 653 C VAL A 44 -7.159 10.994 4.808 1.00 0.00 C ATOM 654 O VAL A 44 -6.975 9.804 4.500 1.00 0.00 O ATOM 655 CB VAL A 44 -7.462 12.960 3.299 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.739 12.879 1.813 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.758 14.344 3.809 1.00 0.00 C ATOM 0 H VAL A 44 -9.171 13.358 5.104 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.765 11.255 3.363 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.401 12.778 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.206 13.680 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.401 11.915 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.809 12.984 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.212 15.076 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.828 14.539 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.449 14.421 4.851 1.00 0.00 H new ATOM 667 N ASN A 45 -6.527 11.606 5.822 1.00 0.00 N ATOM 668 CA ASN A 45 -5.541 10.923 6.644 1.00 0.00 C ATOM 669 C ASN A 45 -6.143 9.661 7.263 1.00 0.00 C ATOM 670 O ASN A 45 -5.506 8.590 7.253 1.00 0.00 O ATOM 671 CB ASN A 45 -5.006 11.837 7.745 1.00 0.00 C ATOM 672 CG ASN A 45 -3.617 11.448 8.211 1.00 0.00 C ATOM 673 OD1 ASN A 45 -3.421 10.384 8.806 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.635 12.295 7.948 1.00 0.00 N ATOM 0 H ASN A 45 -6.689 12.578 6.086 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.709 10.643 5.998 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.987 12.864 7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.689 11.813 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.682 12.077 8.239 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.831 13.166 7.454 1.00 0.00 H new ATOM 681 N LEU A 46 -7.391 9.787 7.771 1.00 0.00 N ATOM 682 CA LEU A 46 -8.121 8.655 8.356 1.00 0.00 C ATOM 683 C LEU A 46 -8.318 7.563 7.324 1.00 0.00 C ATOM 684 O LEU A 46 -7.890 6.442 7.531 1.00 0.00 O ATOM 685 CB LEU A 46 -9.486 9.078 8.941 1.00 0.00 C ATOM 686 CG LEU A 46 -9.483 10.219 9.980 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.837 10.332 10.658 1.00 0.00 C ATOM 688 CD2 LEU A 46 -8.387 10.018 11.017 1.00 0.00 C ATOM 0 H LEU A 46 -7.908 10.666 7.784 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.515 8.275 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.131 9.375 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.942 8.202 9.402 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.280 11.149 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.813 11.142 11.387 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.602 10.539 9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.069 9.395 11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.411 10.838 11.735 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.548 9.074 11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.416 9.998 10.521 1.00 0.00 H new ATOM 700 N GLN A 47 -8.908 7.919 6.175 1.00 0.00 N ATOM 701 CA GLN A 47 -9.090 6.993 5.074 1.00 0.00 C ATOM 702 C GLN A 47 -7.828 6.227 4.760 1.00 0.00 C ATOM 703 O GLN A 47 -7.864 5.004 4.551 1.00 0.00 O ATOM 704 CB GLN A 47 -9.494 7.763 3.904 1.00 0.00 C ATOM 705 CG GLN A 47 -10.950 8.151 3.990 1.00 0.00 C ATOM 706 CD GLN A 47 -11.470 8.409 2.675 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.596 8.057 2.351 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.696 9.055 1.896 1.00 0.00 N ATOM 0 H GLN A 47 -9.268 8.856 5.993 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.849 6.262 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.879 8.659 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.323 7.177 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.520 7.352 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.062 9.037 4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.765 9.327 2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.007 9.301 0.956 1.00 0.00 H new ATOM 717 N LEU A 48 -6.698 6.940 4.757 1.00 0.00 N ATOM 718 CA LEU A 48 -5.409 6.320 4.514 1.00 0.00 C ATOM 719 C LEU A 48 -5.038 5.410 5.659 1.00 0.00 C ATOM 720 O LEU A 48 -4.813 4.248 5.449 1.00 0.00 O ATOM 721 CB LEU A 48 -4.314 7.358 4.315 1.00 0.00 C ATOM 722 CG LEU A 48 -4.499 8.279 3.125 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.966 9.655 3.435 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.834 7.702 1.893 1.00 0.00 C ATOM 0 H LEU A 48 -6.658 7.946 4.921 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.498 5.737 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.246 7.967 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.361 6.840 4.207 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.566 8.368 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.107 10.303 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.502 10.069 4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.904 9.589 3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.979 8.379 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.767 7.578 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.277 6.733 1.661 1.00 0.00 H new ATOM 736 N ASN A 49 -4.988 5.946 6.878 1.00 0.00 N ATOM 737 CA ASN A 49 -4.633 5.121 8.052 1.00 0.00 C ATOM 738 C ASN A 49 -5.571 3.922 8.219 1.00 0.00 C ATOM 739 O ASN A 49 -5.134 2.819 8.591 1.00 0.00 O ATOM 740 CB ASN A 49 -4.496 5.955 9.338 1.00 0.00 C ATOM 741 CG ASN A 49 -5.786 6.341 10.028 1.00 0.00 C ATOM 742 OD1 ASN A 49 -6.652 5.522 10.257 1.00 0.00 O ATOM 743 ND2 ASN A 49 -5.901 7.600 10.382 1.00 0.00 N ATOM 0 H ASN A 49 -5.183 6.925 7.086 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.643 4.710 7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.884 5.395 10.045 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.951 6.868 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.740 7.919 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.152 8.259 10.172 1.00 0.00 H new ATOM 750 N ASP A 50 -6.840 4.124 7.891 1.00 0.00 N ATOM 751 CA ASP A 50 -7.848 3.051 7.922 1.00 0.00 C ATOM 752 C ASP A 50 -7.479 1.973 6.927 1.00 0.00 C ATOM 753 O ASP A 50 -7.315 0.791 7.295 1.00 0.00 O ATOM 754 CB ASP A 50 -9.234 3.609 7.551 1.00 0.00 C ATOM 755 CG ASP A 50 -10.282 2.546 7.347 1.00 0.00 C ATOM 756 OD1 ASP A 50 -10.511 1.737 8.262 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.889 2.523 6.276 1.00 0.00 O ATOM 0 H ASP A 50 -7.207 5.029 7.596 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.879 2.636 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.565 4.287 8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.146 4.199 6.639 1.00 0.00 H new ATOM 762 N LEU A 51 -7.338 2.375 5.664 1.00 0.00 N ATOM 763 CA LEU A 51 -6.986 1.439 4.618 1.00 0.00 C ATOM 764 C LEU A 51 -5.583 0.866 4.845 1.00 0.00 C ATOM 765 O LEU A 51 -5.400 -0.324 4.742 1.00 0.00 O ATOM 766 CB LEU A 51 -7.169 2.048 3.201 1.00 0.00 C ATOM 767 CG LEU A 51 -6.174 3.129 2.763 1.00 0.00 C ATOM 768 CD1 LEU A 51 -4.845 2.508 2.414 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.712 3.919 1.578 1.00 0.00 C ATOM 0 H LEU A 51 -7.463 3.338 5.350 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.683 0.603 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.123 1.235 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.172 2.470 3.143 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.035 3.817 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.149 3.288 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.445 1.990 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.979 1.797 1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.987 4.679 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.886 3.244 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.649 4.400 1.857 1.00 0.00 H new ATOM 781 N ILE A 52 -4.618 1.717 5.225 1.00 0.00 N ATOM 782 CA ILE A 52 -3.241 1.286 5.531 1.00 0.00 C ATOM 783 C ILE A 52 -3.266 0.125 6.522 1.00 0.00 C ATOM 784 O ILE A 52 -2.656 -0.918 6.277 1.00 0.00 O ATOM 785 CB ILE A 52 -2.367 2.475 6.101 1.00 0.00 C ATOM 786 CG1 ILE A 52 -2.035 3.484 5.002 1.00 0.00 C ATOM 787 CG2 ILE A 52 -1.066 1.994 6.758 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.441 4.764 5.537 1.00 0.00 C ATOM 0 H ILE A 52 -4.767 2.721 5.329 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.780 0.957 4.600 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.973 2.953 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.335 3.031 4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.942 3.716 4.444 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.507 2.853 7.131 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.302 1.327 7.587 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.463 1.460 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.227 5.440 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.149 5.237 6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.518 4.541 6.071 1.00 0.00 H new ATOM 800 N GLU A 53 -4.017 0.277 7.616 1.00 0.00 N ATOM 801 CA GLU A 53 -4.123 -0.801 8.588 1.00 0.00 C ATOM 802 C GLU A 53 -4.927 -1.957 8.041 1.00 0.00 C ATOM 803 O GLU A 53 -4.543 -3.113 8.232 1.00 0.00 O ATOM 804 CB GLU A 53 -4.639 -0.306 9.922 1.00 0.00 C ATOM 805 CG GLU A 53 -3.612 0.565 10.607 1.00 0.00 C ATOM 806 CD GLU A 53 -3.516 0.319 12.069 1.00 0.00 C ATOM 807 OE1 GLU A 53 -2.827 -0.626 12.469 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.123 1.060 12.827 1.00 0.00 O ATOM 0 H GLU A 53 -4.548 1.118 7.843 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.118 -1.181 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.560 0.258 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.885 -1.155 10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.637 0.392 10.151 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.862 1.612 10.437 1.00 0.00 H new ATOM 815 N HIS A 54 -5.964 -1.651 7.255 1.00 0.00 N ATOM 816 CA HIS A 54 -6.715 -2.694 6.551 1.00 0.00 C ATOM 817 C HIS A 54 -5.754 -3.508 5.683 1.00 0.00 C ATOM 818 O HIS A 54 -5.768 -4.737 5.716 1.00 0.00 O ATOM 819 CB HIS A 54 -7.804 -2.100 5.672 1.00 0.00 C ATOM 820 CG HIS A 54 -8.792 -3.117 5.182 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.534 -4.488 5.114 1.00 0.00 N ATOM 822 CD2 HIS A 54 -10.047 -2.960 4.748 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.605 -5.106 4.652 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.540 -4.202 4.421 1.00 0.00 N ATOM 0 H HIS A 54 -6.299 -0.702 7.092 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.190 -3.332 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.334 -1.330 6.232 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.342 -1.610 4.815 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.658 -4.939 5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.579 -2.024 4.668 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.701 -6.170 4.490 1.00 0.00 H new ATOM 833 N ILE A 55 -4.885 -2.811 4.942 1.00 0.00 N ATOM 834 CA ILE A 55 -3.861 -3.464 4.142 1.00 0.00 C ATOM 835 C ILE A 55 -2.913 -4.209 5.080 1.00 0.00 C ATOM 836 O ILE A 55 -2.538 -5.332 4.807 1.00 0.00 O ATOM 837 CB ILE A 55 -3.029 -2.456 3.285 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.918 -1.585 2.404 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.038 -3.196 2.410 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.188 -0.407 1.798 1.00 0.00 C ATOM 0 H ILE A 55 -4.877 -1.793 4.885 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.363 -4.143 3.453 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.498 -1.809 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.335 -2.196 1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.757 -1.219 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.467 -2.479 1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.358 -3.773 3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.575 -3.870 1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.878 0.171 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.794 0.225 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.366 -0.767 1.180 1.00 0.00 H new ATOM 852 N ALA A 56 -2.550 -3.567 6.200 1.00 0.00 N ATOM 853 CA ALA A 56 -1.671 -4.172 7.198 1.00 0.00 C ATOM 854 C ALA A 56 -2.214 -5.525 7.630 1.00 0.00 C ATOM 855 O ALA A 56 -1.533 -6.540 7.495 1.00 0.00 O ATOM 856 CB ALA A 56 -1.492 -3.243 8.402 1.00 0.00 C ATOM 0 H ALA A 56 -2.857 -2.623 6.434 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.691 -4.325 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.834 -3.715 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.053 -2.301 8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.462 -3.050 8.860 1.00 0.00 H new ATOM 862 N SER A 57 -3.474 -5.550 8.078 1.00 0.00 N ATOM 863 CA SER A 57 -4.127 -6.801 8.457 1.00 0.00 C ATOM 864 C SER A 57 -4.245 -7.730 7.243 1.00 0.00 C ATOM 865 O SER A 57 -4.018 -8.941 7.358 1.00 0.00 O ATOM 866 CB SER A 57 -5.507 -6.540 9.083 1.00 0.00 C ATOM 867 OG SER A 57 -6.159 -5.396 8.507 1.00 0.00 O ATOM 0 H SER A 57 -4.057 -4.720 8.186 1.00 0.00 H new ATOM 0 HA SER A 57 -3.510 -7.292 9.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.136 -7.420 8.949 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.394 -6.389 10.157 1.00 0.00 H new ATOM 0 HG SER A 57 -5.915 -5.323 7.561 1.00 0.00 H new ATOM 873 N PHE A 58 -4.534 -7.138 6.070 1.00 0.00 N ATOM 874 CA PHE A 58 -4.616 -7.872 4.809 1.00 0.00 C ATOM 875 C PHE A 58 -3.317 -8.626 4.580 1.00 0.00 C ATOM 876 O PHE A 58 -3.304 -9.848 4.470 1.00 0.00 O ATOM 877 CB PHE A 58 -4.888 -6.899 3.635 1.00 0.00 C ATOM 878 CG PHE A 58 -5.266 -7.543 2.322 1.00 0.00 C ATOM 879 CD1 PHE A 58 -5.572 -8.891 2.236 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.315 -6.784 1.169 1.00 0.00 C ATOM 881 CE1 PHE A 58 -5.919 -9.464 1.038 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.661 -7.354 -0.032 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.964 -8.694 -0.097 1.00 0.00 C ATOM 0 H PHE A 58 -4.716 -6.139 5.977 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.441 -8.583 4.860 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.688 -6.220 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.997 -6.292 3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.537 -9.501 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.079 -5.731 1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.156 -10.517 0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.695 -6.749 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.237 -9.140 -1.042 1.00 0.00 H new ATOM 893 N VAL A 59 -2.223 -7.886 4.597 1.00 0.00 N ATOM 894 CA VAL A 59 -0.899 -8.444 4.459 1.00 0.00 C ATOM 895 C VAL A 59 -0.623 -9.424 5.592 1.00 0.00 C ATOM 896 O VAL A 59 -0.227 -10.556 5.337 1.00 0.00 O ATOM 897 CB VAL A 59 0.172 -7.328 4.449 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.565 -7.902 4.232 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.145 -6.308 3.372 1.00 0.00 C ATOM 0 H VAL A 59 -2.234 -6.872 4.708 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.849 -8.975 3.508 1.00 0.00 H new ATOM 0 HB VAL A 59 0.156 -6.838 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.296 -7.093 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.800 -8.601 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.599 -8.424 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.616 -5.528 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.158 -6.799 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.121 -5.864 3.567 1.00 0.00 H new ATOM 909 N MET A 60 -0.857 -8.987 6.847 1.00 0.00 N ATOM 910 CA MET A 60 -0.650 -9.845 8.018 1.00 0.00 C ATOM 911 C MET A 60 -1.192 -11.245 7.759 1.00 0.00 C ATOM 912 O MET A 60 -0.448 -12.212 7.840 1.00 0.00 O ATOM 913 CB MET A 60 -1.306 -9.257 9.275 1.00 0.00 C ATOM 914 CG MET A 60 -0.339 -8.774 10.299 1.00 0.00 C ATOM 915 SD MET A 60 -1.085 -7.655 11.490 1.00 0.00 S ATOM 916 CE MET A 60 -1.183 -6.169 10.513 1.00 0.00 C ATOM 0 H MET A 60 -1.188 -8.048 7.068 1.00 0.00 H new ATOM 0 HA MET A 60 0.425 -9.902 8.192 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.951 -8.429 8.981 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.947 -10.015 9.725 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.082 -9.630 10.826 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.488 -8.268 9.801 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.792 -5.329 11.088 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.595 -6.292 9.604 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.223 -5.975 10.249 1.00 0.00 H new ATOM 926 N SER A 61 -2.480 -11.343 7.387 1.00 0.00 N ATOM 927 CA SER A 61 -3.075 -12.619 7.072 1.00 0.00 C ATOM 928 C SER A 61 -2.546 -13.165 5.743 1.00 0.00 C ATOM 929 O SER A 61 -2.333 -14.379 5.621 1.00 0.00 O ATOM 930 CB SER A 61 -4.598 -12.537 7.049 1.00 0.00 C ATOM 931 OG SER A 61 -5.106 -11.365 7.721 1.00 0.00 O ATOM 0 H SER A 61 -3.113 -10.548 7.302 1.00 0.00 H new ATOM 0 HA SER A 61 -2.789 -13.312 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.941 -12.534 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.012 -13.428 7.520 1.00 0.00 H new ATOM 0 HG SER A 61 -4.880 -10.566 7.200 1.00 0.00 H new ATOM 937 N PHE A 62 -2.333 -12.280 4.751 1.00 0.00 N ATOM 938 CA PHE A 62 -1.807 -12.691 3.443 1.00 0.00 C ATOM 939 C PHE A 62 -0.554 -13.545 3.609 1.00 0.00 C ATOM 940 O PHE A 62 -0.517 -14.706 3.169 1.00 0.00 O ATOM 941 CB PHE A 62 -1.511 -11.476 2.548 1.00 0.00 C ATOM 942 CG PHE A 62 -1.956 -11.690 1.140 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.293 -12.581 0.334 1.00 0.00 C ATOM 944 CD2 PHE A 62 -3.051 -11.018 0.633 1.00 0.00 C ATOM 945 CE1 PHE A 62 -1.702 -12.808 -0.962 1.00 0.00 C ATOM 946 CE2 PHE A 62 -3.471 -11.231 -0.666 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.796 -12.130 -1.466 1.00 0.00 C ATOM 0 H PHE A 62 -2.517 -11.280 4.833 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.576 -13.289 2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.010 -10.597 2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.441 -11.269 2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.437 -13.113 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.585 -10.318 1.259 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.169 -13.514 -1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.325 -10.696 -1.054 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.121 -12.303 -2.481 1.00 0.00 H new ATOM 957 N LYS A 63 0.433 -12.992 4.313 1.00 0.00 N ATOM 958 CA LYS A 63 1.684 -13.689 4.627 1.00 0.00 C ATOM 959 C LYS A 63 1.434 -15.066 5.254 1.00 0.00 C ATOM 960 O LYS A 63 2.230 -15.988 5.069 1.00 0.00 O ATOM 961 CB LYS A 63 2.557 -12.847 5.565 1.00 0.00 C ATOM 962 CG LYS A 63 2.578 -11.347 5.247 1.00 0.00 C ATOM 963 CD LYS A 63 2.528 -10.495 6.510 1.00 0.00 C ATOM 964 CE LYS A 63 3.872 -10.470 7.213 1.00 0.00 C ATOM 965 NZ LYS A 63 3.933 -9.463 8.303 1.00 0.00 N ATOM 0 H LYS A 63 0.389 -12.043 4.684 1.00 0.00 H new ATOM 0 HA LYS A 63 2.207 -13.837 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.204 -12.983 6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.578 -13.227 5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.480 -11.108 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.730 -11.100 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.231 -9.478 6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.769 -10.888 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.080 -11.458 7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.654 -10.258 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.758 -9.654 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.018 -8.511 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.066 -9.517 8.874 1.00 0.00 H new ATOM 979 N ILE A 64 0.342 -15.205 5.985 1.00 0.00 N ATOM 980 CA ILE A 64 -0.013 -16.477 6.595 1.00 0.00 C ATOM 981 C ILE A 64 -0.645 -17.388 5.543 1.00 0.00 C ATOM 982 O ILE A 64 -0.251 -18.550 5.399 1.00 0.00 O ATOM 983 CB ILE A 64 -1.016 -16.305 7.784 1.00 0.00 C ATOM 984 CG1 ILE A 64 -0.646 -15.103 8.647 1.00 0.00 C ATOM 985 CG2 ILE A 64 -1.072 -17.563 8.635 1.00 0.00 C ATOM 986 CD1 ILE A 64 -1.400 -15.023 9.950 1.00 0.00 C ATOM 0 H ILE A 64 -0.318 -14.450 6.172 1.00 0.00 H new ATOM 0 HA ILE A 64 0.904 -16.916 6.989 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.004 -16.131 7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.422 -15.138 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.828 -14.191 8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.776 -17.417 9.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.398 -18.403 8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.082 -17.772 9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.078 -14.141 10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.469 -14.955 9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.199 -15.916 10.542 1.00 0.00 H new ATOM 998 N LYS A 65 -1.655 -16.864 4.842 1.00 0.00 N ATOM 999 CA LYS A 65 -2.398 -17.642 3.858 1.00 0.00 C ATOM 1000 C LYS A 65 -1.557 -18.087 2.650 1.00 0.00 C ATOM 1001 O LYS A 65 -1.746 -19.218 2.168 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.699 -16.923 3.403 1.00 0.00 C ATOM 1003 CG LYS A 65 -3.493 -15.545 2.767 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.720 -14.635 2.949 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.126 -13.931 1.640 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.302 -14.890 0.520 1.00 0.00 N ATOM 0 H LYS A 65 -1.974 -15.900 4.942 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.682 -18.556 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.217 -17.562 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.355 -16.813 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.619 -15.068 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.285 -15.664 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.558 -15.228 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.504 -13.885 3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.055 -13.383 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.365 -13.198 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.175 -14.663 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.490 -14.822 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.364 -15.857 0.898 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.693 -17.213 2.108 1.00 0.00 N ATOM 1021 CA TYR A 66 0.056 -17.574 0.884 1.00 0.00 C ATOM 1022 C TYR A 66 1.560 -17.241 0.961 1.00 0.00 C ATOM 1023 O TYR A 66 1.965 -16.311 1.650 1.00 0.00 O ATOM 1024 CB TYR A 66 -0.578 -16.880 -0.335 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.447 -17.634 -1.643 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.996 -18.901 -1.803 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.216 -17.071 -2.719 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -0.883 -19.579 -2.999 1.00 0.00 C ATOM 1029 CE2 TYR A 66 0.330 -17.743 -3.919 1.00 0.00 C ATOM 1030 CZ TYR A 66 -0.219 -18.994 -4.055 1.00 0.00 C ATOM 1031 OH TYR A 66 -0.111 -19.662 -5.258 1.00 0.00 O ATOM 0 H TYR A 66 -0.497 -16.283 2.478 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.012 -18.657 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.636 -16.717 -0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.121 -15.897 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.519 -19.362 -0.978 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.652 -16.088 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.313 -20.564 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.849 -17.286 -4.748 1.00 0.00 H new ATOM 0 HH TYR A 66 0.386 -19.109 -5.896 1.00 0.00 H new ATOM 1041 N PRO A 67 2.427 -18.081 0.320 1.00 0.00 N ATOM 1042 CA PRO A 67 3.897 -17.902 0.334 1.00 0.00 C ATOM 1043 C PRO A 67 4.462 -17.188 -0.927 1.00 0.00 C ATOM 1044 O PRO A 67 5.633 -16.786 -0.943 1.00 0.00 O ATOM 1045 CB PRO A 67 4.371 -19.344 0.345 1.00 0.00 C ATOM 1046 CG PRO A 67 3.393 -20.050 -0.549 1.00 0.00 C ATOM 1047 CD PRO A 67 2.059 -19.353 -0.370 1.00 0.00 C ATOM 0 HA PRO A 67 4.221 -17.276 1.165 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.391 -19.433 -0.029 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.364 -19.760 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.717 -20.005 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.318 -21.105 -0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.571 -19.165 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.370 -19.950 0.227 1.00 0.00 H new ATOM 1055 N ASP A 68 3.672 -17.128 -2.008 1.00 0.00 N ATOM 1056 CA ASP A 68 4.148 -16.560 -3.289 1.00 0.00 C ATOM 1057 C ASP A 68 4.254 -15.047 -3.270 1.00 0.00 C ATOM 1058 O ASP A 68 4.967 -14.453 -4.091 1.00 0.00 O ATOM 1059 CB ASP A 68 3.279 -17.024 -4.467 1.00 0.00 C ATOM 1060 CG ASP A 68 4.046 -17.307 -5.727 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.228 -17.674 -5.647 1.00 0.00 O ATOM 1062 OD2 ASP A 68 3.456 -17.196 -6.799 1.00 0.00 O ATOM 0 H ASP A 68 2.708 -17.461 -2.028 1.00 0.00 H new ATOM 0 HA ASP A 68 5.158 -16.945 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.740 -17.925 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.531 -16.259 -4.675 1.00 0.00 H new ATOM 1067 N ASP A 69 3.547 -14.436 -2.364 1.00 0.00 N ATOM 1068 CA ASP A 69 3.521 -13.010 -2.214 1.00 0.00 C ATOM 1069 C ASP A 69 4.498 -12.515 -1.156 1.00 0.00 C ATOM 1070 O ASP A 69 4.514 -11.326 -0.863 1.00 0.00 O ATOM 1071 CB ASP A 69 2.141 -12.603 -1.820 1.00 0.00 C ATOM 1072 CG ASP A 69 1.777 -13.083 -0.449 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.385 -14.247 -0.332 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.927 -12.318 0.510 1.00 0.00 O ATOM 0 H ASP A 69 2.958 -14.928 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 69 3.817 -12.568 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.061 -11.517 -1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.427 -12.999 -2.543 1.00 0.00 H new ATOM 1079 N GLY A 70 5.271 -13.417 -0.562 1.00 0.00 N ATOM 1080 CA GLY A 70 6.218 -13.039 0.500 1.00 0.00 C ATOM 1081 C GLY A 70 6.938 -11.712 0.234 1.00 0.00 C ATOM 1082 O GLY A 70 7.069 -10.873 1.147 1.00 0.00 O ATOM 0 H GLY A 70 5.267 -14.411 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.681 -12.969 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.960 -13.830 0.612 1.00 0.00 H new ATOM 1086 N ASP A 71 7.327 -11.484 -1.028 1.00 0.00 N ATOM 1087 CA ASP A 71 7.955 -10.217 -1.436 1.00 0.00 C ATOM 1088 C ASP A 71 6.921 -9.103 -1.446 1.00 0.00 C ATOM 1089 O ASP A 71 7.107 -8.066 -0.807 1.00 0.00 O ATOM 1090 CB ASP A 71 8.609 -10.343 -2.824 1.00 0.00 C ATOM 1091 CG ASP A 71 9.354 -9.108 -3.233 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.233 -8.661 -2.476 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.090 -8.606 -4.326 1.00 0.00 O ATOM 0 H ASP A 71 7.218 -12.159 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 71 8.736 -9.977 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.295 -11.190 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.839 -10.558 -3.565 1.00 0.00 H new ATOM 1098 N LEU A 72 5.794 -9.361 -2.112 1.00 0.00 N ATOM 1099 CA LEU A 72 4.673 -8.426 -2.149 1.00 0.00 C ATOM 1100 C LEU A 72 4.279 -8.014 -0.745 1.00 0.00 C ATOM 1101 O LEU A 72 4.198 -6.842 -0.459 1.00 0.00 O ATOM 1102 CB LEU A 72 3.452 -9.045 -2.851 1.00 0.00 C ATOM 1103 CG LEU A 72 2.388 -8.048 -3.340 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.846 -7.325 -4.595 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.062 -8.753 -3.583 1.00 0.00 C ATOM 0 H LEU A 72 5.635 -10.220 -2.638 1.00 0.00 H new ATOM 0 HA LEU A 72 4.998 -7.551 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.802 -9.623 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.978 -9.746 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 72 2.245 -7.303 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.072 -6.627 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.764 -6.777 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.030 -8.051 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.323 -8.030 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.194 -9.526 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.717 -9.209 -2.655 1.00 0.00 H new ATOM 1117 N SER A 73 4.050 -8.992 0.122 1.00 0.00 N ATOM 1118 CA SER A 73 3.648 -8.731 1.502 1.00 0.00 C ATOM 1119 C SER A 73 4.599 -7.748 2.186 1.00 0.00 C ATOM 1120 O SER A 73 4.157 -6.731 2.736 1.00 0.00 O ATOM 1121 CB SER A 73 3.548 -10.038 2.297 1.00 0.00 C ATOM 1122 OG SER A 73 2.208 -10.511 2.318 1.00 0.00 O ATOM 0 H SER A 73 4.136 -9.982 -0.107 1.00 0.00 H new ATOM 0 HA SER A 73 2.661 -8.270 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.198 -10.791 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.898 -9.877 3.317 1.00 0.00 H new ATOM 0 HG SER A 73 2.025 -11.011 1.495 1.00 0.00 H new ATOM 1128 N GLU A 74 5.902 -8.009 2.089 1.00 0.00 N ATOM 1129 CA GLU A 74 6.887 -7.129 2.650 1.00 0.00 C ATOM 1130 C GLU A 74 6.832 -5.757 1.977 1.00 0.00 C ATOM 1131 O GLU A 74 6.809 -4.717 2.652 1.00 0.00 O ATOM 1132 CB GLU A 74 8.257 -7.788 2.585 1.00 0.00 C ATOM 1133 CG GLU A 74 9.219 -7.130 1.689 1.00 0.00 C ATOM 1134 CD GLU A 74 10.626 -7.537 1.960 1.00 0.00 C ATOM 1135 OE1 GLU A 74 11.078 -8.526 1.388 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.275 -6.894 2.783 1.00 0.00 O ATOM 0 H GLU A 74 6.286 -8.830 1.622 1.00 0.00 H new ATOM 0 HA GLU A 74 6.672 -6.949 3.703 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.679 -7.816 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.132 -8.822 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.969 -7.368 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.130 -6.049 1.797 1.00 0.00 H new ATOM 1143 N LEU A 75 6.770 -5.779 0.659 1.00 0.00 N ATOM 1144 CA LEU A 75 6.653 -4.572 -0.165 1.00 0.00 C ATOM 1145 C LEU A 75 5.439 -3.760 0.277 1.00 0.00 C ATOM 1146 O LEU A 75 5.534 -2.550 0.510 1.00 0.00 O ATOM 1147 CB LEU A 75 6.509 -4.956 -1.650 1.00 0.00 C ATOM 1148 CG LEU A 75 7.128 -4.012 -2.702 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.919 -2.883 -2.070 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.991 -4.793 -3.661 1.00 0.00 C ATOM 0 H LEU A 75 6.799 -6.642 0.116 1.00 0.00 H new ATOM 0 HA LEU A 75 7.554 -3.971 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.951 -5.943 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.446 -5.050 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 75 6.305 -3.555 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.334 -2.247 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.262 -2.292 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.730 -3.298 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.422 -4.115 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.792 -5.287 -3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.384 -5.543 -4.169 1.00 0.00 H new ATOM 1162 N VAL A 76 4.302 -4.439 0.411 1.00 0.00 N ATOM 1163 CA VAL A 76 3.080 -3.814 0.872 1.00 0.00 C ATOM 1164 C VAL A 76 3.314 -3.215 2.256 1.00 0.00 C ATOM 1165 O VAL A 76 3.031 -2.036 2.466 1.00 0.00 O ATOM 1166 CB VAL A 76 1.877 -4.811 0.930 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.593 -4.083 1.274 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.700 -5.567 -0.383 1.00 0.00 C ATOM 0 H VAL A 76 4.209 -5.433 0.202 1.00 0.00 H new ATOM 0 HA VAL A 76 2.818 -3.037 0.154 1.00 0.00 H new ATOM 0 HB VAL A 76 2.103 -5.536 1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.231 -4.796 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.697 -3.601 2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.388 -3.328 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.854 -6.249 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.516 -4.857 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.604 -6.136 -0.600 1.00 0.00 H new ATOM 1178 N GLU A 77 3.894 -4.012 3.179 1.00 0.00 N ATOM 1179 CA GLU A 77 4.219 -3.507 4.522 1.00 0.00 C ATOM 1180 C GLU A 77 5.075 -2.243 4.412 1.00 0.00 C ATOM 1181 O GLU A 77 4.736 -1.217 5.009 1.00 0.00 O ATOM 1182 CB GLU A 77 4.911 -4.576 5.378 1.00 0.00 C ATOM 1183 CG GLU A 77 3.966 -5.671 5.879 1.00 0.00 C ATOM 1184 CD GLU A 77 4.172 -5.991 7.322 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.853 -5.147 8.175 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.679 -7.081 7.616 1.00 0.00 O ATOM 0 H GLU A 77 4.141 -4.989 3.020 1.00 0.00 H new ATOM 0 HA GLU A 77 3.286 -3.254 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.708 -5.036 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.381 -4.094 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.935 -5.354 5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.114 -6.573 5.286 1.00 0.00 H new ATOM 1193 N GLU A 78 6.116 -2.292 3.553 1.00 0.00 N ATOM 1194 CA GLU A 78 6.937 -1.110 3.259 1.00 0.00 C ATOM 1195 C GLU A 78 6.018 0.043 2.833 1.00 0.00 C ATOM 1196 O GLU A 78 6.051 1.110 3.416 1.00 0.00 O ATOM 1197 CB GLU A 78 7.939 -1.403 2.129 1.00 0.00 C ATOM 1198 CG GLU A 78 9.237 -2.059 2.560 1.00 0.00 C ATOM 1199 CD GLU A 78 10.223 -2.127 1.434 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.600 -1.066 0.901 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.629 -3.234 1.071 1.00 0.00 O ATOM 0 H GLU A 78 6.402 -3.135 3.056 1.00 0.00 H new ATOM 0 HA GLU A 78 7.496 -0.841 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.454 -2.046 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.176 -0.466 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.670 -1.500 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.032 -3.065 2.926 1.00 0.00 H new ATOM 1208 N TYR A 79 5.156 -0.228 1.841 1.00 0.00 N ATOM 1209 CA TYR A 79 4.159 0.744 1.353 1.00 0.00 C ATOM 1210 C TYR A 79 3.379 1.352 2.535 1.00 0.00 C ATOM 1211 O TYR A 79 3.260 2.582 2.654 1.00 0.00 O ATOM 1212 CB TYR A 79 3.180 0.049 0.375 1.00 0.00 C ATOM 1213 CG TYR A 79 2.525 0.941 -0.674 1.00 0.00 C ATOM 1214 CD1 TYR A 79 2.485 2.322 -0.539 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.934 0.382 -1.799 1.00 0.00 C ATOM 1216 CE1 TYR A 79 1.880 3.110 -1.489 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.325 1.168 -2.753 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.298 2.531 -2.594 1.00 0.00 C ATOM 1219 OH TYR A 79 0.687 3.337 -3.554 1.00 0.00 O ATOM 0 H TYR A 79 5.128 -1.124 1.354 1.00 0.00 H new ATOM 0 HA TYR A 79 4.679 1.546 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.719 -0.746 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.392 -0.426 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.936 2.785 0.326 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.952 -0.690 -1.929 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.861 4.183 -1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.871 0.714 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.193 2.969 -3.778 1.00 0.00 H new ATOM 1229 N LEU A 80 2.856 0.492 3.410 1.00 0.00 N ATOM 1230 CA LEU A 80 2.108 0.944 4.597 1.00 0.00 C ATOM 1231 C LEU A 80 3.004 1.764 5.499 1.00 0.00 C ATOM 1232 O LEU A 80 2.657 2.892 5.878 1.00 0.00 O ATOM 1233 CB LEU A 80 1.546 -0.253 5.380 1.00 0.00 C ATOM 1234 CG LEU A 80 0.884 -1.343 4.539 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.257 -2.390 5.413 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.127 -0.750 3.582 1.00 0.00 C ATOM 0 H LEU A 80 2.933 -0.521 3.324 1.00 0.00 H new ATOM 0 HA LEU A 80 1.276 1.560 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.358 -0.703 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.817 0.118 6.100 1.00 0.00 H new ATOM 0 HG LEU A 80 1.659 -1.827 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.207 -3.154 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.023 -2.848 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.501 -1.929 6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.584 -1.547 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.899 -0.227 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.372 -0.048 2.914 1.00 0.00 H new ATOM 1248 N ASP A 81 4.172 1.204 5.816 1.00 0.00 N ATOM 1249 CA ASP A 81 5.173 1.865 6.652 1.00 0.00 C ATOM 1250 C ASP A 81 5.524 3.227 6.092 1.00 0.00 C ATOM 1251 O ASP A 81 5.537 4.219 6.829 1.00 0.00 O ATOM 1252 CB ASP A 81 6.427 1.015 6.740 1.00 0.00 C ATOM 1253 CG ASP A 81 7.126 1.169 8.043 1.00 0.00 C ATOM 1254 OD1 ASP A 81 6.799 0.434 8.977 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.018 2.010 8.140 1.00 0.00 O ATOM 0 H ASP A 81 4.451 0.276 5.499 1.00 0.00 H new ATOM 0 HA ASP A 81 4.751 1.992 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.164 -0.033 6.594 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.106 1.289 5.932 1.00 0.00 H new ATOM 1260 N ASP A 82 5.804 3.276 4.786 1.00 0.00 N ATOM 1261 CA ASP A 82 6.130 4.534 4.089 1.00 0.00 C ATOM 1262 C ASP A 82 5.029 5.543 4.333 1.00 0.00 C ATOM 1263 O ASP A 82 5.251 6.582 4.964 1.00 0.00 O ATOM 1264 CB ASP A 82 6.259 4.319 2.557 1.00 0.00 C ATOM 1265 CG ASP A 82 7.636 3.938 2.089 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.614 4.208 2.795 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.738 3.374 0.993 1.00 0.00 O ATOM 0 H ASP A 82 5.812 2.454 4.182 1.00 0.00 H new ATOM 0 HA ASP A 82 7.083 4.892 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.559 3.541 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.958 5.235 2.049 1.00 0.00 H new ATOM 1272 N THR A 83 3.815 5.199 3.876 1.00 0.00 N ATOM 1273 CA THR A 83 2.637 6.049 4.064 1.00 0.00 C ATOM 1274 C THR A 83 2.515 6.477 5.535 1.00 0.00 C ATOM 1275 O THR A 83 2.407 7.676 5.839 1.00 0.00 O ATOM 1276 CB THR A 83 1.334 5.330 3.605 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.566 4.411 2.529 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.263 6.287 3.133 1.00 0.00 C ATOM 0 H THR A 83 3.627 4.333 3.372 1.00 0.00 H new ATOM 0 HA THR A 83 2.767 6.936 3.444 1.00 0.00 H new ATOM 0 HB THR A 83 0.997 4.803 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.953 3.583 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.619 5.724 2.827 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.003 6.965 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.637 6.863 2.287 1.00 0.00 H new ATOM 1286 N TYR A 84 2.566 5.492 6.440 1.00 0.00 N ATOM 1287 CA TYR A 84 2.485 5.748 7.871 1.00 0.00 C ATOM 1288 C TYR A 84 3.582 6.728 8.313 1.00 0.00 C ATOM 1289 O TYR A 84 3.290 7.749 8.945 1.00 0.00 O ATOM 1290 CB TYR A 84 2.580 4.422 8.660 1.00 0.00 C ATOM 1291 CG TYR A 84 2.815 4.607 10.136 1.00 0.00 C ATOM 1292 CD1 TYR A 84 4.097 4.763 10.640 1.00 0.00 C ATOM 1293 CD2 TYR A 84 1.756 4.652 11.015 1.00 0.00 C ATOM 1294 CE1 TYR A 84 4.312 4.960 11.982 1.00 0.00 C ATOM 1295 CE2 TYR A 84 1.961 4.843 12.361 1.00 0.00 C ATOM 1296 CZ TYR A 84 3.237 4.998 12.843 1.00 0.00 C ATOM 1297 OH TYR A 84 3.431 5.198 14.193 1.00 0.00 O ATOM 0 H TYR A 84 2.664 4.506 6.198 1.00 0.00 H new ATOM 0 HA TYR A 84 1.520 6.207 8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.658 3.858 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.389 3.821 8.246 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.940 4.729 9.966 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.749 4.536 10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.316 5.084 12.360 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.120 4.871 13.038 1.00 0.00 H new ATOM 0 HH TYR A 84 2.565 5.198 14.652 1.00 0.00 H new ATOM 1307 N THR A 85 4.830 6.415 7.986 1.00 0.00 N ATOM 1308 CA THR A 85 5.964 7.264 8.355 1.00 0.00 C ATOM 1309 C THR A 85 5.803 8.672 7.776 1.00 0.00 C ATOM 1310 O THR A 85 5.986 9.658 8.492 1.00 0.00 O ATOM 1311 CB THR A 85 7.298 6.624 7.926 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.343 5.247 8.312 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.514 7.294 8.533 1.00 0.00 C ATOM 0 H THR A 85 5.086 5.577 7.464 1.00 0.00 H new ATOM 0 HA THR A 85 5.981 7.354 9.441 1.00 0.00 H new ATOM 0 HB THR A 85 7.335 6.744 6.843 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.934 4.697 7.611 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.417 6.791 8.187 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.542 8.340 8.229 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.458 7.233 9.620 1.00 0.00 H new ATOM 1321 N LEU A 86 5.385 8.762 6.504 1.00 0.00 N ATOM 1322 CA LEU A 86 5.126 10.048 5.861 1.00 0.00 C ATOM 1323 C LEU A 86 4.231 10.897 6.742 1.00 0.00 C ATOM 1324 O LEU A 86 4.674 11.905 7.282 1.00 0.00 O ATOM 1325 CB LEU A 86 4.432 9.839 4.522 1.00 0.00 C ATOM 1326 CG LEU A 86 5.265 10.040 3.238 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.471 10.949 3.461 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.696 8.711 2.660 1.00 0.00 C ATOM 0 H LEU A 86 5.220 7.954 5.904 1.00 0.00 H new ATOM 0 HA LEU A 86 6.081 10.551 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.033 8.825 4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.580 10.517 4.477 1.00 0.00 H new ATOM 0 HG LEU A 86 4.618 10.540 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.023 11.057 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.131 11.929 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.122 10.511 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.281 8.880 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.303 8.176 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.815 8.117 2.416 1.00 0.00 H new ATOM 1340 N PHE A 87 2.980 10.447 6.906 1.00 0.00 N ATOM 1341 CA PHE A 87 1.993 11.142 7.741 1.00 0.00 C ATOM 1342 C PHE A 87 2.458 11.296 9.188 1.00 0.00 C ATOM 1343 O PHE A 87 2.022 12.222 9.884 1.00 0.00 O ATOM 1344 CB PHE A 87 0.629 10.448 7.672 1.00 0.00 C ATOM 1345 CG PHE A 87 0.013 10.521 6.300 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.400 11.731 5.781 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.129 9.386 5.521 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.942 11.815 4.524 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.671 9.465 4.257 1.00 0.00 C ATOM 1350 CZ PHE A 87 -1.077 10.681 3.758 1.00 0.00 C ATOM 0 H PHE A 87 2.626 9.597 6.467 1.00 0.00 H new ATOM 0 HA PHE A 87 1.888 12.148 7.335 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.742 9.403 7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.046 10.907 8.394 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.295 12.627 6.375 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.188 8.429 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.262 12.771 4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.777 8.573 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.501 10.745 2.767 1.00 0.00 H new ATOM 1360 N SER A 88 3.374 10.431 9.627 1.00 0.00 N ATOM 1361 CA SER A 88 3.931 10.532 10.954 1.00 0.00 C ATOM 1362 C SER A 88 4.897 11.727 11.057 1.00 0.00 C ATOM 1363 O SER A 88 5.043 12.320 12.131 1.00 0.00 O ATOM 1364 CB SER A 88 4.609 9.243 11.318 1.00 0.00 C ATOM 1365 OG SER A 88 3.649 8.194 11.445 1.00 0.00 O ATOM 0 H SER A 88 3.739 9.656 9.073 1.00 0.00 H new ATOM 0 HA SER A 88 3.124 10.710 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.343 8.983 10.555 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.152 9.363 12.255 1.00 0.00 H new ATOM 0 HG SER A 88 3.560 7.726 10.588 1.00 0.00 H new ATOM 1371 N SER A 89 5.445 12.158 9.922 1.00 0.00 N ATOM 1372 CA SER A 89 6.247 13.367 9.867 1.00 0.00 C ATOM 1373 C SER A 89 5.286 14.521 9.657 1.00 0.00 C ATOM 1374 O SER A 89 4.632 14.580 8.607 1.00 0.00 O ATOM 1375 CB SER A 89 7.263 13.317 8.698 1.00 0.00 C ATOM 1376 OG SER A 89 7.441 11.979 8.183 1.00 0.00 O ATOM 0 H SER A 89 5.344 11.681 9.026 1.00 0.00 H new ATOM 0 HA SER A 89 6.819 13.479 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.922 13.971 7.895 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.224 13.704 9.038 1.00 0.00 H new ATOM 0 HG SER A 89 6.658 11.727 7.650 1.00 0.00 H new ATOM 1382 N TYR A 90 5.110 15.373 10.687 1.00 0.00 N ATOM 1383 CA TYR A 90 4.131 16.472 10.628 1.00 0.00 C ATOM 1384 C TYR A 90 4.050 17.078 9.235 1.00 0.00 C ATOM 1385 O TYR A 90 2.997 17.044 8.609 1.00 0.00 O ATOM 1386 CB TYR A 90 4.405 17.541 11.689 1.00 0.00 C ATOM 1387 CG TYR A 90 3.418 17.491 12.828 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.046 17.520 12.586 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.846 17.403 14.142 1.00 0.00 C ATOM 1390 CE1 TYR A 90 1.144 17.463 13.614 1.00 0.00 C ATOM 1391 CE2 TYR A 90 2.946 17.342 15.178 1.00 0.00 C ATOM 1392 CZ TYR A 90 1.597 17.372 14.913 1.00 0.00 C ATOM 1393 OH TYR A 90 0.699 17.305 15.952 1.00 0.00 O ATOM 0 H TYR A 90 5.630 15.320 11.563 1.00 0.00 H new ATOM 0 HA TYR A 90 3.156 16.040 10.853 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.414 17.409 12.081 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.369 18.527 11.225 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.688 17.589 11.569 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.904 17.382 14.356 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.084 17.489 13.409 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.297 17.271 16.197 1.00 0.00 H new ATOM 0 HH TYR A 90 1.185 17.243 16.801 1.00 0.00 H new ATOM 1403 N GLY A 91 5.178 17.507 8.708 1.00 0.00 N ATOM 1404 CA GLY A 91 5.223 17.952 7.337 1.00 0.00 C ATOM 1405 C GLY A 91 5.804 16.859 6.485 1.00 0.00 C ATOM 1406 O GLY A 91 6.853 16.295 6.838 1.00 0.00 O ATOM 0 H GLY A 91 6.067 17.556 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.221 18.206 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.828 18.855 7.254 1.00 0.00 H new ATOM 1410 N ILE A 92 5.109 16.490 5.421 1.00 0.00 N ATOM 1411 CA ILE A 92 5.545 15.378 4.576 1.00 0.00 C ATOM 1412 C ILE A 92 6.942 15.621 4.005 1.00 0.00 C ATOM 1413 O ILE A 92 7.182 16.619 3.313 1.00 0.00 O ATOM 1414 CB ILE A 92 4.529 15.062 3.438 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.148 14.788 4.028 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.974 13.851 2.619 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.134 13.693 5.084 1.00 0.00 C ATOM 0 H ILE A 92 4.244 16.938 5.119 1.00 0.00 H new ATOM 0 HA ILE A 92 5.589 14.500 5.221 1.00 0.00 H new ATOM 0 HB ILE A 92 4.485 15.931 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.763 15.708 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.468 14.511 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.245 13.656 1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.946 14.053 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.049 12.979 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.118 13.558 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.488 12.760 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.787 13.976 5.910 1.00 0.00 H new ATOM 1429 N ASN A 93 7.846 14.695 4.278 1.00 0.00 N ATOM 1430 CA ASN A 93 9.223 14.786 3.776 1.00 0.00 C ATOM 1431 C ASN A 93 9.343 14.070 2.451 1.00 0.00 C ATOM 1432 O ASN A 93 8.939 12.899 2.334 1.00 0.00 O ATOM 1433 CB ASN A 93 10.290 14.225 4.762 1.00 0.00 C ATOM 1434 CG ASN A 93 9.751 13.772 6.103 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.885 14.479 7.110 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.150 12.599 6.141 1.00 0.00 N ATOM 0 H ASN A 93 7.659 13.868 4.844 1.00 0.00 H new ATOM 0 HA ASN A 93 9.429 15.850 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.794 13.383 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.044 14.993 4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.776 12.246 7.022 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.059 12.045 5.290 1.00 0.00 H new ATOM 1443 N ASP A 94 9.899 14.764 1.455 1.00 0.00 N ATOM 1444 CA ASP A 94 10.091 14.201 0.110 1.00 0.00 C ATOM 1445 C ASP A 94 10.790 12.844 0.141 1.00 0.00 C ATOM 1446 O ASP A 94 10.294 11.903 -0.451 1.00 0.00 O ATOM 1447 CB ASP A 94 10.868 15.161 -0.806 1.00 0.00 C ATOM 1448 CG ASP A 94 9.993 15.791 -1.839 1.00 0.00 C ATOM 1449 OD1 ASP A 94 9.341 15.063 -2.597 1.00 0.00 O ATOM 1450 OD2 ASP A 94 9.942 17.018 -1.890 1.00 0.00 O ATOM 0 H ASP A 94 10.228 15.725 1.553 1.00 0.00 H new ATOM 0 HA ASP A 94 9.090 14.059 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.332 15.940 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.674 14.617 -1.298 1.00 0.00 H new ATOM 1455 N PRO A 95 11.987 12.726 0.807 1.00 0.00 N ATOM 1456 CA PRO A 95 12.756 11.465 0.864 1.00 0.00 C ATOM 1457 C PRO A 95 11.868 10.247 1.145 1.00 0.00 C ATOM 1458 O PRO A 95 11.827 9.294 0.344 1.00 0.00 O ATOM 1459 CB PRO A 95 13.758 11.697 2.022 1.00 0.00 C ATOM 1460 CG PRO A 95 13.431 13.054 2.585 1.00 0.00 C ATOM 1461 CD PRO A 95 12.699 13.796 1.514 1.00 0.00 C ATOM 0 HA PRO A 95 13.239 11.243 -0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.660 10.924 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.786 11.661 1.662 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.818 12.964 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.340 13.584 2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.012 14.533 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.381 14.332 0.855 1.00 0.00 H new ATOM 1469 N GLU A 96 11.148 10.293 2.263 1.00 0.00 N ATOM 1470 CA GLU A 96 10.239 9.231 2.650 1.00 0.00 C ATOM 1471 C GLU A 96 9.123 9.074 1.616 1.00 0.00 C ATOM 1472 O GLU A 96 8.789 7.957 1.225 1.00 0.00 O ATOM 1473 CB GLU A 96 9.666 9.513 4.035 1.00 0.00 C ATOM 1474 CG GLU A 96 10.669 9.314 5.176 1.00 0.00 C ATOM 1475 CD GLU A 96 11.354 10.582 5.597 1.00 0.00 C ATOM 1476 OE1 GLU A 96 11.757 11.361 4.735 1.00 0.00 O ATOM 1477 OE2 GLU A 96 11.503 10.791 6.789 1.00 0.00 O ATOM 0 H GLU A 96 11.182 11.070 2.923 1.00 0.00 H new ATOM 0 HA GLU A 96 10.791 8.292 2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.298 10.539 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.808 8.862 4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.151 8.888 6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.422 8.589 4.866 1.00 0.00 H new ATOM 1484 N LEU A 97 8.598 10.198 1.114 1.00 0.00 N ATOM 1485 CA LEU A 97 7.591 10.128 0.065 1.00 0.00 C ATOM 1486 C LEU A 97 8.167 9.449 -1.172 1.00 0.00 C ATOM 1487 O LEU A 97 7.507 8.620 -1.789 1.00 0.00 O ATOM 1488 CB LEU A 97 7.033 11.498 -0.306 1.00 0.00 C ATOM 1489 CG LEU A 97 5.985 11.475 -1.422 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.688 10.858 -0.949 1.00 0.00 C ATOM 1491 CD2 LEU A 97 5.750 12.849 -1.960 1.00 0.00 C ATOM 0 H LEU A 97 8.849 11.141 1.412 1.00 0.00 H new ATOM 0 HA LEU A 97 6.763 9.539 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.590 11.949 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.858 12.142 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 97 6.376 10.853 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.966 10.857 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.870 9.833 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.292 11.438 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.002 12.807 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.395 13.498 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.682 13.246 -2.362 1.00 0.00 H new ATOM 1503 N GLN A 98 9.396 9.804 -1.543 1.00 0.00 N ATOM 1504 CA GLN A 98 10.030 9.187 -2.687 1.00 0.00 C ATOM 1505 C GLN A 98 10.180 7.682 -2.463 1.00 0.00 C ATOM 1506 O GLN A 98 9.880 6.896 -3.362 1.00 0.00 O ATOM 1507 CB GLN A 98 11.346 9.881 -3.040 1.00 0.00 C ATOM 1508 CG GLN A 98 11.153 11.354 -3.414 1.00 0.00 C ATOM 1509 CD GLN A 98 9.908 11.595 -4.227 1.00 0.00 C ATOM 1510 OE1 GLN A 98 9.643 10.895 -5.213 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.132 12.552 -3.840 1.00 0.00 N ATOM 0 H GLN A 98 9.960 10.509 -1.069 1.00 0.00 H new ATOM 0 HA GLN A 98 9.388 9.315 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.028 9.811 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.817 9.357 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.107 11.952 -2.504 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.021 11.697 -3.977 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.379 13.110 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.272 12.749 -4.351 1.00 0.00 H new ATOM 1520 N ARG A 99 10.475 7.281 -1.209 1.00 0.00 N ATOM 1521 CA ARG A 99 10.449 5.871 -0.831 1.00 0.00 C ATOM 1522 C ARG A 99 9.061 5.307 -1.146 1.00 0.00 C ATOM 1523 O ARG A 99 8.942 4.341 -1.902 1.00 0.00 O ATOM 1524 CB ARG A 99 10.746 5.703 0.665 1.00 0.00 C ATOM 1525 CG ARG A 99 12.179 5.334 0.962 1.00 0.00 C ATOM 1526 CD ARG A 99 12.504 3.927 0.458 1.00 0.00 C ATOM 1527 NE ARG A 99 11.386 2.964 0.651 1.00 0.00 N ATOM 1528 CZ ARG A 99 10.913 2.547 1.856 1.00 0.00 C ATOM 1529 NH1 ARG A 99 11.429 3.041 2.984 1.00 0.00 N ATOM 1530 NH2 ARG A 99 9.930 1.649 1.916 1.00 0.00 N ATOM 0 H ARG A 99 10.731 7.916 -0.453 1.00 0.00 H new ATOM 0 HA ARG A 99 11.214 5.334 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.505 6.633 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.090 4.934 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.848 6.055 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.356 5.388 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.754 3.976 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.388 3.557 0.977 1.00 0.00 H new ATOM 0 HE ARG A 99 10.940 2.587 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.178 3.732 2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.074 2.728 3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.530 1.272 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.578 1.338 2.821 1.00 0.00 H new ATOM 1544 N TRP A 100 8.023 6.000 -0.645 1.00 0.00 N ATOM 1545 CA TRP A 100 6.610 5.667 -0.921 1.00 0.00 C ATOM 1546 C TRP A 100 6.414 5.438 -2.418 1.00 0.00 C ATOM 1547 O TRP A 100 5.744 4.482 -2.840 1.00 0.00 O ATOM 1548 CB TRP A 100 5.715 6.840 -0.463 1.00 0.00 C ATOM 1549 CG TRP A 100 4.278 6.516 -0.252 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.768 5.641 0.638 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.157 7.092 -0.937 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.409 5.634 0.562 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.003 6.509 -0.395 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.018 8.042 -1.956 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.724 6.842 -0.830 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.745 8.373 -2.388 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.615 7.769 -1.822 1.00 0.00 C ATOM 0 H TRP A 100 8.139 6.809 -0.035 1.00 0.00 H new ATOM 0 HA TRP A 100 6.340 4.760 -0.381 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.119 7.238 0.468 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.783 7.635 -1.205 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.353 5.034 1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.791 5.060 1.135 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.887 8.508 -2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -0.151 6.382 -0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.622 9.106 -3.171 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.366 8.045 -2.181 1.00 0.00 H new ATOM 1568 N GLN A 101 6.995 6.338 -3.215 1.00 0.00 N ATOM 1569 CA GLN A 101 6.921 6.283 -4.670 1.00 0.00 C ATOM 1570 C GLN A 101 7.646 5.039 -5.219 1.00 0.00 C ATOM 1571 O GLN A 101 7.071 4.285 -6.002 1.00 0.00 O ATOM 1572 CB GLN A 101 7.495 7.571 -5.278 1.00 0.00 C ATOM 1573 CG GLN A 101 6.955 8.838 -4.624 1.00 0.00 C ATOM 1574 CD GLN A 101 5.990 9.592 -5.493 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.499 9.085 -6.498 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.686 10.783 -5.100 1.00 0.00 N ATOM 0 H GLN A 101 7.533 7.130 -2.862 1.00 0.00 H new ATOM 0 HA GLN A 101 5.873 6.202 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.581 7.556 -5.185 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.267 7.595 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.461 8.573 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.790 9.491 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.116 11.168 -4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.015 11.339 -5.630 1.00 0.00 H new ATOM 1585 N LYS A 102 8.892 4.815 -4.778 1.00 0.00 N ATOM 1586 CA LYS A 102 9.674 3.639 -5.217 1.00 0.00 C ATOM 1587 C LYS A 102 9.026 2.331 -4.740 1.00 0.00 C ATOM 1588 O LYS A 102 8.844 1.391 -5.526 1.00 0.00 O ATOM 1589 CB LYS A 102 11.132 3.703 -4.710 1.00 0.00 C ATOM 1590 CG LYS A 102 11.833 5.032 -4.928 1.00 0.00 C ATOM 1591 CD LYS A 102 12.673 5.422 -3.735 1.00 0.00 C ATOM 1592 CE LYS A 102 14.148 5.237 -4.019 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.655 3.888 -3.635 1.00 0.00 N ATOM 0 H LYS A 102 9.381 5.424 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 102 9.682 3.657 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.140 3.477 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.707 2.921 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.465 4.969 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.092 5.807 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.478 6.462 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.388 4.819 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.330 5.398 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.713 5.998 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 15.670 3.823 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.510 3.740 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.139 3.159 -4.167 1.00 0.00 H new ATOM 1607 N THR A 103 8.716 2.265 -3.448 1.00 0.00 N ATOM 1608 CA THR A 103 8.115 1.073 -2.845 1.00 0.00 C ATOM 1609 C THR A 103 6.864 0.618 -3.621 1.00 0.00 C ATOM 1610 O THR A 103 6.751 -0.563 -3.987 1.00 0.00 O ATOM 1611 CB THR A 103 7.797 1.327 -1.358 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.927 1.893 -0.679 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.395 0.089 -0.595 1.00 0.00 C ATOM 0 H THR A 103 8.872 3.029 -2.791 1.00 0.00 H new ATOM 0 HA THR A 103 8.838 0.260 -2.904 1.00 0.00 H new ATOM 0 HB THR A 103 6.951 2.014 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.672 2.749 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.188 0.352 0.442 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.501 -0.342 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.205 -0.639 -0.630 1.00 0.00 H new ATOM 1621 N LYS A 104 5.944 1.557 -3.916 1.00 0.00 N ATOM 1622 CA LYS A 104 4.747 1.211 -4.694 1.00 0.00 C ATOM 1623 C LYS A 104 5.147 0.670 -6.064 1.00 0.00 C ATOM 1624 O LYS A 104 4.668 -0.389 -6.477 1.00 0.00 O ATOM 1625 CB LYS A 104 3.780 2.407 -4.836 1.00 0.00 C ATOM 1626 CG LYS A 104 4.396 3.632 -5.498 1.00 0.00 C ATOM 1627 CD LYS A 104 3.394 4.739 -5.706 1.00 0.00 C ATOM 1628 CE LYS A 104 3.252 5.618 -4.473 1.00 0.00 C ATOM 1629 NZ LYS A 104 1.910 5.509 -3.856 1.00 0.00 N ATOM 0 H LYS A 104 6.006 2.535 -3.634 1.00 0.00 H new ATOM 0 HA LYS A 104 4.212 0.434 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.913 2.092 -5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.417 2.686 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.217 4.000 -4.882 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.822 3.346 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 104 3.701 5.351 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.425 4.308 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.010 5.338 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.441 6.656 -4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.861 6.126 -3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 1.187 5.801 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.738 4.524 -3.570 1.00 0.00 H new ATOM 1643 N GLU A 105 6.071 1.377 -6.744 1.00 0.00 N ATOM 1644 CA GLU A 105 6.580 0.943 -8.049 1.00 0.00 C ATOM 1645 C GLU A 105 7.022 -0.509 -7.979 1.00 0.00 C ATOM 1646 O GLU A 105 6.562 -1.342 -8.767 1.00 0.00 O ATOM 1647 CB GLU A 105 7.747 1.823 -8.492 1.00 0.00 C ATOM 1648 CG GLU A 105 7.348 3.249 -8.818 1.00 0.00 C ATOM 1649 CD GLU A 105 7.038 3.410 -10.257 1.00 0.00 C ATOM 1650 OE1 GLU A 105 7.967 3.478 -11.045 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.868 3.419 -10.613 1.00 0.00 O ATOM 0 H GLU A 105 6.477 2.250 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 105 5.778 1.038 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.499 1.837 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.214 1.376 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.478 3.530 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.156 3.926 -8.541 1.00 0.00 H new ATOM 1658 N ARG A 106 7.849 -0.820 -6.972 1.00 0.00 N ATOM 1659 CA ARG A 106 8.288 -2.191 -6.723 1.00 0.00 C ATOM 1660 C ARG A 106 7.081 -3.124 -6.674 1.00 0.00 C ATOM 1661 O ARG A 106 6.987 -4.049 -7.464 1.00 0.00 O ATOM 1662 CB ARG A 106 9.053 -2.291 -5.404 1.00 0.00 C ATOM 1663 CG ARG A 106 10.402 -1.617 -5.387 1.00 0.00 C ATOM 1664 CD ARG A 106 11.134 -1.935 -4.094 1.00 0.00 C ATOM 1665 NE ARG A 106 11.107 -3.377 -3.753 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.075 -3.851 -2.485 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.266 -3.016 -1.463 1.00 0.00 N ATOM 1668 NH2 ARG A 106 10.892 -5.152 -2.255 1.00 0.00 N ATOM 0 H ARG A 106 8.226 -0.135 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 106 8.951 -2.485 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.439 -1.858 -4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.189 -3.345 -5.161 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.994 -1.951 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.279 -0.539 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.170 -1.607 -4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.685 -1.366 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 106 11.113 -4.052 -4.518 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.435 -2.026 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.243 -3.368 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.775 -5.797 -3.037 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.869 -5.502 -1.297 1.00 0.00 H new ATOM 1682 N LEU A 107 6.118 -2.817 -5.786 1.00 0.00 N ATOM 1683 CA LEU A 107 4.875 -3.612 -5.668 1.00 0.00 C ATOM 1684 C LEU A 107 4.236 -3.848 -7.042 1.00 0.00 C ATOM 1685 O LEU A 107 3.749 -4.943 -7.346 1.00 0.00 O ATOM 1686 CB LEU A 107 3.855 -2.892 -4.772 1.00 0.00 C ATOM 1687 CG LEU A 107 3.869 -3.260 -3.288 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.372 -2.103 -2.445 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.489 -3.677 -2.835 1.00 0.00 C ATOM 0 H LEU A 107 6.173 -2.029 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 107 5.146 -4.571 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.023 -1.819 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.857 -3.091 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 107 4.551 -4.100 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.372 -2.392 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.386 -1.844 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.720 -1.241 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.516 -3.936 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.791 -2.854 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.163 -4.542 -3.412 1.00 0.00 H new ATOM 1701 N PHE A 108 4.238 -2.811 -7.863 1.00 0.00 N ATOM 1702 CA PHE A 108 3.645 -2.870 -9.186 1.00 0.00 C ATOM 1703 C PHE A 108 4.424 -3.772 -10.107 1.00 0.00 C ATOM 1704 O PHE A 108 3.831 -4.422 -10.965 1.00 0.00 O ATOM 1705 CB PHE A 108 3.450 -1.475 -9.788 1.00 0.00 C ATOM 1706 CG PHE A 108 2.171 -0.831 -9.322 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.956 -0.593 -7.976 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.180 -0.485 -10.219 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.791 -0.023 -7.536 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.004 0.085 -9.783 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.190 0.318 -8.439 1.00 0.00 C ATOM 0 H PHE A 108 4.650 -1.907 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 108 2.653 -3.308 -9.071 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.294 -0.842 -9.516 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.444 -1.548 -10.876 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.719 -0.861 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.328 -0.663 -11.274 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.642 0.159 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.765 0.349 -10.494 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.110 0.767 -8.095 1.00 0.00 H new ATOM 1721 N ARG A 109 5.733 -3.899 -9.888 1.00 0.00 N ATOM 1722 CA ARG A 109 6.534 -4.846 -10.664 1.00 0.00 C ATOM 1723 C ARG A 109 5.972 -6.244 -10.462 1.00 0.00 C ATOM 1724 O ARG A 109 5.719 -6.958 -11.433 1.00 0.00 O ATOM 1725 CB ARG A 109 8.024 -4.806 -10.272 1.00 0.00 C ATOM 1726 CG ARG A 109 8.616 -3.412 -10.068 1.00 0.00 C ATOM 1727 CD ARG A 109 8.773 -2.641 -11.384 1.00 0.00 C ATOM 1728 NE ARG A 109 7.479 -2.247 -11.961 1.00 0.00 N ATOM 1729 CZ ARG A 109 6.937 -2.752 -13.098 1.00 0.00 C ATOM 1730 NH1 ARG A 109 7.572 -3.708 -13.799 1.00 0.00 N ATOM 1731 NH2 ARG A 109 5.769 -2.294 -13.519 1.00 0.00 N ATOM 0 H ARG A 109 6.255 -3.367 -9.191 1.00 0.00 H new ATOM 0 HA ARG A 109 6.477 -4.564 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.154 -5.375 -9.351 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.599 -5.316 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.976 -2.844 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.589 -3.501 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.376 -1.750 -11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.315 -3.258 -12.101 1.00 0.00 H new ATOM 0 HE ARG A 109 6.944 -1.534 -11.465 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.473 -4.063 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 109 7.153 -4.078 -14.652 1.00 0.00 H new ATOM 0 HH21 ARG A 109 5.285 -1.568 -12.990 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.353 -2.667 -14.372 1.00 0.00 H new ATOM 1745 N LEU A 110 5.662 -6.580 -9.192 1.00 0.00 N ATOM 1746 CA LEU A 110 5.043 -7.807 -8.846 1.00 0.00 C ATOM 1747 C LEU A 110 3.690 -7.941 -9.554 1.00 0.00 C ATOM 1748 O LEU A 110 3.432 -8.937 -10.247 1.00 0.00 O ATOM 1749 CB LEU A 110 4.867 -7.841 -7.334 1.00 0.00 C ATOM 1750 CG LEU A 110 6.162 -7.931 -6.516 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.890 -6.622 -6.445 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.932 -8.497 -5.137 1.00 0.00 C ATOM 0 H LEU A 110 5.851 -5.976 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 110 5.665 -8.644 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.328 -6.944 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.238 -8.694 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 110 6.803 -8.629 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.798 -6.742 -5.855 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.152 -6.296 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.250 -5.874 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.879 -8.540 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.234 -7.860 -4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.516 -9.501 -5.221 1.00 0.00 H new ATOM 1764 N PHE A 111 2.834 -6.919 -9.389 1.00 0.00 N ATOM 1765 CA PHE A 111 1.498 -6.902 -10.023 1.00 0.00 C ATOM 1766 C PHE A 111 1.577 -6.958 -11.561 1.00 0.00 C ATOM 1767 O PHE A 111 0.603 -7.349 -12.212 1.00 0.00 O ATOM 1768 CB PHE A 111 0.698 -5.652 -9.611 1.00 0.00 C ATOM 1769 CG PHE A 111 0.147 -5.692 -8.209 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.915 -6.526 -7.888 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.685 -4.894 -7.217 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.423 -6.558 -6.602 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.181 -4.920 -5.934 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.874 -5.753 -5.624 1.00 0.00 C ATOM 0 H PHE A 111 3.039 -6.095 -8.824 1.00 0.00 H new ATOM 0 HA PHE A 111 0.988 -7.798 -9.669 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.341 -4.777 -9.710 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.129 -5.520 -10.308 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.349 -7.156 -8.650 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.512 -4.240 -7.450 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.248 -7.212 -6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.612 -4.288 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.269 -5.775 -4.619 1.00 0.00 H new ATOM 1784 N SER A 112 2.702 -6.527 -12.139 1.00 0.00 N ATOM 1785 CA SER A 112 2.863 -6.480 -13.603 1.00 0.00 C ATOM 1786 C SER A 112 3.063 -7.871 -14.243 1.00 0.00 C ATOM 1787 O SER A 112 3.121 -7.969 -15.475 1.00 0.00 O ATOM 1788 CB SER A 112 4.020 -5.538 -13.998 1.00 0.00 C ATOM 1789 OG SER A 112 3.844 -4.226 -13.449 1.00 0.00 O ATOM 0 H SER A 112 3.518 -6.204 -11.619 1.00 0.00 H new ATOM 0 HA SER A 112 1.925 -6.087 -13.996 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.965 -5.955 -13.649 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.082 -5.473 -15.084 1.00 0.00 H new ATOM 0 HG SER A 112 4.261 -4.184 -12.563 1.00 0.00 H new ATOM 1795 N GLY A 113 3.125 -8.934 -13.437 1.00 0.00 N ATOM 1796 CA GLY A 113 3.257 -10.266 -14.007 1.00 0.00 C ATOM 1797 C GLY A 113 4.401 -11.071 -13.446 1.00 0.00 C ATOM 1798 O GLY A 113 5.076 -11.788 -14.194 1.00 0.00 O ATOM 0 H GLY A 113 3.087 -8.897 -12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.328 -10.813 -13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.386 -10.176 -15.086 1.00 0.00 H new ATOM 1802 N GLU A 114 4.571 -11.043 -12.126 1.00 0.00 N ATOM 1803 CA GLU A 114 5.566 -11.884 -11.470 1.00 0.00 C ATOM 1804 C GLU A 114 4.828 -13.058 -10.806 1.00 0.00 C ATOM 1805 O GLU A 114 3.836 -13.551 -11.343 1.00 0.00 O ATOM 1806 CB GLU A 114 6.362 -11.077 -10.420 1.00 0.00 C ATOM 1807 CG GLU A 114 6.936 -9.757 -10.922 1.00 0.00 C ATOM 1808 CD GLU A 114 8.263 -9.918 -11.576 1.00 0.00 C ATOM 1809 OE1 GLU A 114 9.190 -10.370 -10.916 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.385 -9.592 -12.746 1.00 0.00 O ATOM 0 H GLU A 114 4.035 -10.449 -11.493 1.00 0.00 H new ATOM 0 HA GLU A 114 6.282 -12.255 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.710 -10.873 -9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.181 -11.696 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.239 -9.309 -11.630 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.030 -9.065 -10.085 1.00 0.00 H new ATOM 1817 N TYR A 115 5.248 -13.439 -9.600 1.00 0.00 N ATOM 1818 CA TYR A 115 4.554 -14.475 -8.816 1.00 0.00 C ATOM 1819 C TYR A 115 3.018 -14.219 -8.781 1.00 0.00 C ATOM 1820 O TYR A 115 2.222 -15.164 -8.714 1.00 0.00 O ATOM 1821 CB TYR A 115 5.104 -14.582 -7.353 1.00 0.00 C ATOM 1822 CG TYR A 115 6.135 -13.529 -6.984 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.761 -12.214 -6.775 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.478 -13.844 -6.908 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.692 -11.244 -6.500 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.421 -12.882 -6.619 1.00 0.00 C ATOM 1827 CZ TYR A 115 8.029 -11.582 -6.417 1.00 0.00 C ATOM 1828 OH TYR A 115 8.986 -10.615 -6.152 1.00 0.00 O ATOM 0 H TYR A 115 6.069 -13.047 -9.138 1.00 0.00 H new ATOM 0 HA TYR A 115 4.748 -15.422 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.267 -14.510 -6.659 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.547 -15.568 -7.217 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.716 -11.945 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.794 -14.863 -7.078 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.381 -10.221 -6.349 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.465 -13.150 -6.552 1.00 0.00 H new ATOM 0 HH TYR A 115 8.638 -9.983 -5.489 1.00 0.00 H new ATOM 1838 N ILE A 116 2.619 -12.932 -8.844 1.00 0.00 N ATOM 1839 CA ILE A 116 1.207 -12.538 -8.815 1.00 0.00 C ATOM 1840 C ILE A 116 0.383 -13.166 -9.962 1.00 0.00 C ATOM 1841 O ILE A 116 -0.716 -13.683 -9.706 1.00 0.00 O ATOM 1842 CB ILE A 116 1.001 -10.983 -8.831 1.00 0.00 C ATOM 1843 CG1 ILE A 116 2.001 -10.252 -7.910 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.427 -10.637 -8.423 1.00 0.00 C ATOM 1845 CD1 ILE A 116 1.644 -10.313 -6.443 1.00 0.00 C ATOM 0 H ILE A 116 3.266 -12.147 -8.916 1.00 0.00 H new ATOM 0 HA ILE A 116 0.840 -12.927 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 116 1.184 -10.644 -9.851 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.992 -10.685 -8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.063 -9.207 -8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.558 -9.555 -8.438 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.126 -11.097 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.619 -11.012 -7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.395 -9.776 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.668 -9.853 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.611 -11.353 -6.120 1.00 0.00 H new ATOM 1857 N SER A 117 0.879 -13.099 -11.217 1.00 0.00 N ATOM 1858 CA SER A 117 0.117 -13.645 -12.362 1.00 0.00 C ATOM 1859 C SER A 117 -0.247 -15.112 -12.134 1.00 0.00 C ATOM 1860 O SER A 117 -1.388 -15.521 -12.373 1.00 0.00 O ATOM 1861 CB SER A 117 0.871 -13.472 -13.703 1.00 0.00 C ATOM 1862 OG SER A 117 2.275 -13.301 -13.513 1.00 0.00 O ATOM 0 H SER A 117 1.779 -12.684 -11.460 1.00 0.00 H new ATOM 0 HA SER A 117 -0.805 -13.067 -12.430 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.695 -14.344 -14.332 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.470 -12.609 -14.235 1.00 0.00 H new ATOM 0 HG SER A 117 2.565 -13.820 -12.734 1.00 0.00 H new