USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=30 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 76:sc= 0.729 USER MOD Set 1.2: A 93 ASN : amide:sc= 0 X(o=0.73,f=0.73) USER MOD Set 2.1: A 38 ASN : amide:sc= 0.146 K(o=-2.9,f=-5.8) USER MOD Set 2.2: A 42 SER OG : rot -84:sc= -0.591! USER MOD Set 2.3: A 45 ASN : amide:sc= -2.42 X(o=-2.9,f=-2.7!) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= 1.11 USER MOD Set 3.2: A 101 GLN : amide:sc= 0.88 K(o=4.1,f=-13!) USER MOD Set 3.3: A 104 LYS NZ :NH3+ 178:sc= 2.1 (180deg=0.0169) USER MOD Single : A 7 LYS NZ :NH3+ 162:sc= -0.115 (180deg=-0.318) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 1.35 (180deg=1.29) USER MOD Single : A 18 CYS SG : rot 151:sc= -2.3! USER MOD Single : A 20 SER OG : rot 96:sc= 1.27 USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.662 USER MOD Single : A 41 THR OG1 : rot -58:sc= 1.23 USER MOD Single : A 47 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.26) USER MOD Single : A 49 ASN : amide:sc= 1.15 K(o=1.2,f=-0.2) USER MOD Single : A 54 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -126:sc= -2.67 (180deg=-5.53!) USER MOD Single : A 61 SER OG : rot 86:sc= 1.21 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.394) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= 0.993 (180deg=-0.715) USER MOD Single : A 66 TYR OH : rot 165:sc= 0 USER MOD Single : A 73 SER OG : rot -79:sc= 0.945 USER MOD Single : A 79 TYR OH : rot -34:sc= 0.466 USER MOD Single : A 83 THR OG1 : rot 92:sc= 1.91 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 80:sc= 1.12 USER MOD Single : A 88 SER OG : rot 89:sc= 0.614 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.31) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= 0.586 (180deg=-0.0928!) USER MOD Single : A 103 THR OG1 : rot 132:sc= 1.43 USER MOD Single : A 112 SER OG : rot 77:sc= 0.995 USER MOD Single : A 115 TYR OH : rot -140:sc= -0.354 USER MOD Single : A 117 SER OG : rot 94:sc= 0.419 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -8.922 -16.218 -4.959 1.00 0.00 N ATOM 92 CA LYS A 7 -7.779 -15.460 -5.527 1.00 0.00 C ATOM 93 C LYS A 7 -8.154 -14.025 -5.925 1.00 0.00 C ATOM 94 O LYS A 7 -7.579 -13.064 -5.406 1.00 0.00 O ATOM 95 CB LYS A 7 -7.160 -16.191 -6.747 1.00 0.00 C ATOM 96 CG LYS A 7 -6.907 -17.696 -6.560 1.00 0.00 C ATOM 97 CD LYS A 7 -5.782 -17.975 -5.560 1.00 0.00 C ATOM 98 CE LYS A 7 -5.580 -19.482 -5.324 1.00 0.00 C ATOM 99 NZ LYS A 7 -5.778 -20.297 -6.561 1.00 0.00 N ATOM 0 HA LYS A 7 -7.039 -15.403 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.821 -16.055 -7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.214 -15.710 -6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.823 -18.176 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.654 -18.142 -7.522 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.854 -17.538 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.010 -17.487 -4.612 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.574 -19.653 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.276 -19.821 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.345 -21.234 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.796 -20.409 -6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.332 -19.817 -7.368 1.00 0.00 H new ATOM 113 N ARG A 8 -9.105 -13.883 -6.840 1.00 0.00 N ATOM 114 CA ARG A 8 -9.528 -12.555 -7.302 1.00 0.00 C ATOM 115 C ARG A 8 -9.993 -11.652 -6.167 1.00 0.00 C ATOM 116 O ARG A 8 -9.611 -10.484 -6.113 1.00 0.00 O ATOM 117 CB ARG A 8 -10.593 -12.629 -8.394 1.00 0.00 C ATOM 118 CG ARG A 8 -11.667 -13.665 -8.168 1.00 0.00 C ATOM 119 CD ARG A 8 -12.629 -13.673 -9.323 1.00 0.00 C ATOM 120 NE ARG A 8 -13.810 -12.822 -9.094 1.00 0.00 N ATOM 121 CZ ARG A 8 -14.827 -12.677 -9.974 1.00 0.00 C ATOM 122 NH1 ARG A 8 -14.741 -13.233 -11.193 1.00 0.00 N ATOM 123 NH2 ARG A 8 -15.901 -11.961 -9.642 1.00 0.00 N ATOM 0 H ARG A 8 -9.598 -14.661 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.634 -12.105 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.066 -11.651 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.103 -12.837 -9.345 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.215 -14.650 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.200 -13.451 -7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.113 -13.334 -10.221 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.956 -14.696 -9.510 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.864 -12.309 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.910 -13.764 -11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -15.507 -13.125 -11.858 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.957 -11.521 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.667 -11.853 -10.307 1.00 0.00 H new ATOM 137 N HIS A 9 -10.816 -12.195 -5.267 1.00 0.00 N ATOM 138 CA HIS A 9 -11.358 -11.428 -4.132 1.00 0.00 C ATOM 139 C HIS A 9 -10.263 -10.723 -3.351 1.00 0.00 C ATOM 140 O HIS A 9 -10.332 -9.500 -3.131 1.00 0.00 O ATOM 141 CB HIS A 9 -12.150 -12.334 -3.173 1.00 0.00 C ATOM 142 CG HIS A 9 -13.587 -12.494 -3.534 1.00 0.00 C ATOM 143 ND1 HIS A 9 -14.606 -11.830 -2.879 1.00 0.00 N ATOM 144 CD2 HIS A 9 -14.183 -13.239 -4.495 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.763 -12.159 -3.423 1.00 0.00 C ATOM 146 NE2 HIS A 9 -15.535 -13.012 -4.405 1.00 0.00 N ATOM 0 H HIS A 9 -11.125 -13.166 -5.299 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.025 -10.679 -4.558 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.681 -13.318 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.083 -11.924 -2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.688 -13.890 -5.200 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.732 -11.793 -3.117 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -16.248 -13.434 -5.000 1.00 0.00 H new ATOM 155 N ASP A 10 -9.282 -11.499 -2.902 1.00 0.00 N ATOM 156 CA ASP A 10 -8.191 -10.970 -2.078 1.00 0.00 C ATOM 157 C ASP A 10 -7.209 -10.171 -2.916 1.00 0.00 C ATOM 158 O ASP A 10 -6.870 -9.034 -2.577 1.00 0.00 O ATOM 159 CB ASP A 10 -7.456 -12.107 -1.329 1.00 0.00 C ATOM 160 CG ASP A 10 -8.314 -12.781 -0.284 1.00 0.00 C ATOM 161 OD1 ASP A 10 -8.874 -12.090 0.569 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.428 -14.020 -0.302 1.00 0.00 O ATOM 0 H ASP A 10 -9.217 -12.499 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.634 -10.302 -1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.121 -12.852 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.564 -11.702 -0.852 1.00 0.00 H new ATOM 167 N VAL A 11 -6.751 -10.763 -4.018 1.00 0.00 N ATOM 168 CA VAL A 11 -5.799 -10.099 -4.906 1.00 0.00 C ATOM 169 C VAL A 11 -6.333 -8.719 -5.357 1.00 0.00 C ATOM 170 O VAL A 11 -5.640 -7.695 -5.182 1.00 0.00 O ATOM 171 CB VAL A 11 -5.432 -11.009 -6.125 1.00 0.00 C ATOM 172 CG1 VAL A 11 -4.510 -10.305 -7.103 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.783 -12.302 -5.640 1.00 0.00 C ATOM 0 H VAL A 11 -7.023 -11.700 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.879 -9.925 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.359 -11.239 -6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.281 -10.973 -7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.999 -9.408 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.586 -10.027 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.532 -12.927 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.875 -12.067 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.477 -12.837 -4.992 1.00 0.00 H new ATOM 183 N ALA A 12 -7.585 -8.677 -5.862 1.00 0.00 N ATOM 184 CA ALA A 12 -8.213 -7.398 -6.260 1.00 0.00 C ATOM 185 C ALA A 12 -8.226 -6.431 -5.082 1.00 0.00 C ATOM 186 O ALA A 12 -7.842 -5.266 -5.224 1.00 0.00 O ATOM 187 CB ALA A 12 -9.634 -7.610 -6.782 1.00 0.00 C ATOM 0 H ALA A 12 -8.173 -9.499 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.620 -6.972 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.065 -6.650 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.608 -8.266 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.244 -8.065 -6.002 1.00 0.00 H new ATOM 193 N GLN A 13 -8.620 -6.945 -3.899 1.00 0.00 N ATOM 194 CA GLN A 13 -8.626 -6.158 -2.657 1.00 0.00 C ATOM 195 C GLN A 13 -7.257 -5.524 -2.422 1.00 0.00 C ATOM 196 O GLN A 13 -7.163 -4.331 -2.132 1.00 0.00 O ATOM 197 CB GLN A 13 -8.968 -7.048 -1.448 1.00 0.00 C ATOM 198 CG GLN A 13 -10.409 -6.966 -0.972 1.00 0.00 C ATOM 199 CD GLN A 13 -10.703 -7.925 0.176 1.00 0.00 C ATOM 200 OE1 GLN A 13 -9.803 -8.015 1.144 1.00 0.00 O flip ATOM 201 NE2 GLN A 13 -11.732 -8.601 0.179 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.939 -7.907 -3.782 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.382 -5.380 -2.762 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.745 -8.084 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.313 -6.777 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.625 -5.946 -0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.076 -7.187 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.405 -8.508 -0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.911 -9.254 0.942 1.00 0.00 H new ATOM 210 N LEU A 14 -6.200 -6.345 -2.526 1.00 0.00 N ATOM 211 CA LEU A 14 -4.827 -5.876 -2.298 1.00 0.00 C ATOM 212 C LEU A 14 -4.494 -4.710 -3.229 1.00 0.00 C ATOM 213 O LEU A 14 -4.040 -3.648 -2.772 1.00 0.00 O ATOM 214 CB LEU A 14 -3.810 -7.033 -2.477 1.00 0.00 C ATOM 215 CG LEU A 14 -2.585 -7.079 -1.518 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.539 -5.888 -0.568 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.564 -8.378 -0.729 1.00 0.00 C ATOM 0 H LEU A 14 -6.271 -7.334 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.755 -5.522 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.351 -7.973 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.434 -6.993 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.696 -7.027 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.665 -5.971 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.478 -4.965 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.442 -5.875 0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.699 -8.387 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.476 -8.459 -0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.502 -9.221 -1.417 1.00 0.00 H new ATOM 229 N LYS A 15 -4.764 -4.899 -4.529 1.00 0.00 N ATOM 230 CA LYS A 15 -4.529 -3.855 -5.529 1.00 0.00 C ATOM 231 C LYS A 15 -5.370 -2.623 -5.210 1.00 0.00 C ATOM 232 O LYS A 15 -4.827 -1.548 -4.941 1.00 0.00 O ATOM 233 CB LYS A 15 -4.866 -4.361 -6.950 1.00 0.00 C ATOM 234 CG LYS A 15 -3.867 -3.947 -8.033 1.00 0.00 C ATOM 235 CD LYS A 15 -3.848 -4.956 -9.184 1.00 0.00 C ATOM 236 CE LYS A 15 -4.213 -4.311 -10.525 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.248 -3.252 -10.928 1.00 0.00 N ATOM 0 H LYS A 15 -5.145 -5.765 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.472 -3.591 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.926 -5.449 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.854 -3.993 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.129 -2.960 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.870 -3.867 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.857 -5.404 -9.256 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.548 -5.763 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.248 -5.080 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.212 -3.881 -10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.426 -2.978 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.365 -2.423 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.277 -3.615 -10.839 1.00 0.00 H new ATOM 251 N PHE A 16 -6.700 -2.798 -5.236 1.00 0.00 N ATOM 252 CA PHE A 16 -7.658 -1.710 -4.975 1.00 0.00 C ATOM 253 C PHE A 16 -7.260 -0.886 -3.760 1.00 0.00 C ATOM 254 O PHE A 16 -7.228 0.352 -3.834 1.00 0.00 O ATOM 255 CB PHE A 16 -9.084 -2.261 -4.786 1.00 0.00 C ATOM 256 CG PHE A 16 -9.912 -2.279 -6.042 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.650 -3.191 -7.051 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.951 -1.381 -6.214 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.408 -3.206 -8.205 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.712 -1.393 -7.365 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.439 -2.306 -8.363 1.00 0.00 C ATOM 0 H PHE A 16 -7.142 -3.695 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.642 -1.059 -5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.020 -3.275 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.597 -1.660 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.843 -3.899 -6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.169 -0.662 -5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.193 -3.923 -8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.521 -0.688 -7.485 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.032 -2.315 -9.266 1.00 0.00 H new ATOM 271 N LEU A 17 -6.976 -1.559 -2.642 1.00 0.00 N ATOM 272 CA LEU A 17 -6.594 -0.866 -1.410 1.00 0.00 C ATOM 273 C LEU A 17 -5.325 -0.034 -1.606 1.00 0.00 C ATOM 274 O LEU A 17 -5.304 1.161 -1.279 1.00 0.00 O ATOM 275 CB LEU A 17 -6.402 -1.859 -0.248 1.00 0.00 C ATOM 276 CG LEU A 17 -7.484 -1.843 0.851 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.643 -0.454 1.458 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.812 -2.333 0.307 1.00 0.00 C ATOM 0 H LEU A 17 -7.003 -2.576 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.410 -0.190 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.351 -2.866 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.438 -1.657 0.218 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.157 -2.520 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.413 -0.480 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.698 -0.140 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.932 0.252 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.560 -2.313 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.132 -1.686 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.700 -3.353 -0.061 1.00 0.00 H new ATOM 290 N CYS A 18 -4.275 -0.656 -2.159 1.00 0.00 N ATOM 291 CA CYS A 18 -3.004 0.048 -2.396 1.00 0.00 C ATOM 292 C CYS A 18 -3.182 1.145 -3.440 1.00 0.00 C ATOM 293 O CYS A 18 -2.825 2.307 -3.198 1.00 0.00 O ATOM 294 CB CYS A 18 -1.901 -0.929 -2.824 1.00 0.00 C ATOM 295 SG CYS A 18 -1.459 -2.138 -1.555 1.00 0.00 S ATOM 0 H CYS A 18 -4.278 -1.634 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.699 0.510 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.226 -1.459 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.011 -0.361 -3.096 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.049 -3.233 -2.123 1.00 0.00 H new ATOM 301 N GLU A 19 -3.764 0.776 -4.581 1.00 0.00 N ATOM 302 CA GLU A 19 -4.041 1.707 -5.663 1.00 0.00 C ATOM 303 C GLU A 19 -4.846 2.912 -5.157 1.00 0.00 C ATOM 304 O GLU A 19 -4.436 4.064 -5.357 1.00 0.00 O ATOM 305 CB GLU A 19 -4.783 0.976 -6.800 1.00 0.00 C ATOM 306 CG GLU A 19 -3.867 0.092 -7.658 1.00 0.00 C ATOM 307 CD GLU A 19 -4.321 -0.071 -9.090 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.080 0.764 -9.589 1.00 0.00 O ATOM 309 OE2 GLU A 19 -3.911 -1.042 -9.727 1.00 0.00 O ATOM 0 H GLU A 19 -4.056 -0.182 -4.777 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.097 2.088 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.572 0.359 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.267 1.713 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.864 0.518 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.797 -0.893 -7.197 1.00 0.00 H new ATOM 316 N SER A 20 -5.960 2.647 -4.474 1.00 0.00 N ATOM 317 CA SER A 20 -6.790 3.715 -3.921 1.00 0.00 C ATOM 318 C SER A 20 -6.041 4.527 -2.865 1.00 0.00 C ATOM 319 O SER A 20 -6.026 5.757 -2.936 1.00 0.00 O ATOM 320 CB SER A 20 -8.092 3.156 -3.360 1.00 0.00 C ATOM 321 OG SER A 20 -8.758 2.356 -4.350 1.00 0.00 O ATOM 0 H SER A 20 -6.307 1.705 -4.291 1.00 0.00 H new ATOM 0 HA SER A 20 -7.034 4.394 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.886 2.554 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.741 3.973 -3.046 1.00 0.00 H new ATOM 0 HG SER A 20 -8.537 1.412 -4.210 1.00 0.00 H new ATOM 327 N LEU A 21 -5.379 3.845 -1.905 1.00 0.00 N ATOM 328 CA LEU A 21 -4.604 4.566 -0.880 1.00 0.00 C ATOM 329 C LEU A 21 -3.624 5.510 -1.536 1.00 0.00 C ATOM 330 O LEU A 21 -3.520 6.672 -1.139 1.00 0.00 O ATOM 331 CB LEU A 21 -3.847 3.627 0.064 1.00 0.00 C ATOM 332 CG LEU A 21 -2.892 4.335 1.046 1.00 0.00 C ATOM 333 CD1 LEU A 21 -3.049 3.796 2.448 1.00 0.00 C ATOM 334 CD2 LEU A 21 -1.440 4.238 0.574 1.00 0.00 C ATOM 0 H LEU A 21 -5.366 2.829 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.324 5.123 -0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.571 3.048 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.273 2.919 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.163 5.391 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.362 4.315 3.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.073 3.954 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.825 2.729 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.791 4.746 1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.150 3.190 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.343 4.709 -0.404 1.00 0.00 H new ATOM 346 N TYR A 22 -2.909 5.010 -2.547 1.00 0.00 N ATOM 347 CA TYR A 22 -1.954 5.827 -3.284 1.00 0.00 C ATOM 348 C TYR A 22 -2.600 7.162 -3.687 1.00 0.00 C ATOM 349 O TYR A 22 -2.001 8.240 -3.498 1.00 0.00 O ATOM 350 CB TYR A 22 -1.445 5.073 -4.538 1.00 0.00 C ATOM 351 CG TYR A 22 -0.482 5.864 -5.395 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.256 6.900 -4.858 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.319 5.580 -6.738 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.118 7.621 -5.613 1.00 0.00 C ATOM 355 CE2 TYR A 22 0.554 6.308 -7.508 1.00 0.00 C ATOM 356 CZ TYR A 22 1.265 7.331 -6.932 1.00 0.00 C ATOM 357 OH TYR A 22 2.149 8.064 -7.675 1.00 0.00 O ATOM 0 H TYR A 22 -2.976 4.045 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.100 6.031 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.957 4.152 -4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.302 4.785 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.143 7.141 -3.811 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.885 4.777 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.687 8.424 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.680 6.078 -8.556 1.00 0.00 H new ATOM 0 HH TYR A 22 2.146 7.740 -8.600 1.00 0.00 H new ATOM 367 N ASP A 23 -3.844 7.081 -4.180 1.00 0.00 N ATOM 368 CA ASP A 23 -4.618 8.262 -4.571 1.00 0.00 C ATOM 369 C ASP A 23 -4.891 9.140 -3.363 1.00 0.00 C ATOM 370 O ASP A 23 -4.506 10.316 -3.348 1.00 0.00 O ATOM 371 CB ASP A 23 -5.944 7.852 -5.228 1.00 0.00 C ATOM 372 CG ASP A 23 -6.773 9.022 -5.624 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.346 9.770 -6.507 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.861 9.189 -5.064 1.00 0.00 O ATOM 0 H ASP A 23 -4.337 6.199 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.030 8.826 -5.295 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.736 7.244 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.510 7.228 -4.536 1.00 0.00 H new ATOM 379 N GLU A 24 -5.500 8.542 -2.322 1.00 0.00 N ATOM 380 CA GLU A 24 -5.762 9.255 -1.056 1.00 0.00 C ATOM 381 C GLU A 24 -4.478 9.941 -0.570 1.00 0.00 C ATOM 382 O GLU A 24 -4.507 11.082 -0.061 1.00 0.00 O ATOM 383 CB GLU A 24 -6.267 8.288 0.044 1.00 0.00 C ATOM 384 CG GLU A 24 -7.342 7.281 -0.392 1.00 0.00 C ATOM 385 CD GLU A 24 -8.702 7.899 -0.521 1.00 0.00 C ATOM 386 OE1 GLU A 24 -9.165 8.531 0.438 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.314 7.765 -1.586 1.00 0.00 O ATOM 0 H GLU A 24 -5.818 7.573 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.536 9.998 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.413 7.733 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.664 8.881 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.056 6.842 -1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.385 6.467 0.332 1.00 0.00 H new ATOM 394 N GLY A 25 -3.355 9.222 -0.707 1.00 0.00 N ATOM 395 CA GLY A 25 -2.074 9.721 -0.294 1.00 0.00 C ATOM 396 C GLY A 25 -1.646 10.920 -1.081 1.00 0.00 C ATOM 397 O GLY A 25 -1.522 12.001 -0.514 1.00 0.00 O ATOM 0 H GLY A 25 -3.329 8.284 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.112 9.979 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.328 8.933 -0.403 1.00 0.00 H new ATOM 401 N ILE A 26 -1.447 10.755 -2.405 1.00 0.00 N ATOM 402 CA ILE A 26 -1.052 11.886 -3.268 1.00 0.00 C ATOM 403 C ILE A 26 -1.994 13.065 -3.040 1.00 0.00 C ATOM 404 O ILE A 26 -1.546 14.181 -2.715 1.00 0.00 O ATOM 405 CB ILE A 26 -1.053 11.503 -4.791 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.023 10.414 -5.076 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.771 12.721 -5.676 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.418 10.897 -4.985 1.00 0.00 C ATOM 0 H ILE A 26 -1.551 9.865 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.032 12.159 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.048 11.127 -5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.168 9.595 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.200 10.011 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.779 12.419 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.539 13.477 -5.510 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.206 13.135 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.094 10.069 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.581 11.695 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.613 11.273 -3.981 1.00 0.00 H new ATOM 420 N ALA A 27 -3.300 12.789 -3.153 1.00 0.00 N ATOM 421 CA ALA A 27 -4.337 13.789 -2.932 1.00 0.00 C ATOM 422 C ALA A 27 -4.089 14.580 -1.657 1.00 0.00 C ATOM 423 O ALA A 27 -4.180 15.813 -1.655 1.00 0.00 O ATOM 424 CB ALA A 27 -5.711 13.121 -2.861 1.00 0.00 C ATOM 0 H ALA A 27 -3.660 11.867 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.310 14.481 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.476 13.879 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.912 12.601 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.726 12.406 -2.039 1.00 0.00 H new ATOM 430 N THR A 28 -3.811 13.875 -0.567 1.00 0.00 N ATOM 431 CA THR A 28 -3.628 14.521 0.722 1.00 0.00 C ATOM 432 C THR A 28 -2.203 15.064 0.945 1.00 0.00 C ATOM 433 O THR A 28 -2.042 16.181 1.489 1.00 0.00 O ATOM 434 CB THR A 28 -4.078 13.582 1.842 1.00 0.00 C ATOM 435 OG1 THR A 28 -5.332 13.000 1.510 1.00 0.00 O ATOM 436 CG2 THR A 28 -4.231 14.262 3.185 1.00 0.00 C ATOM 0 H THR A 28 -3.708 12.860 -0.552 1.00 0.00 H new ATOM 0 HA THR A 28 -4.262 15.408 0.734 1.00 0.00 H new ATOM 0 HB THR A 28 -3.290 12.834 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.199 12.294 0.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.552 13.532 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.275 14.690 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.976 15.054 3.109 1.00 0.00 H new ATOM 444 N LEU A 29 -1.172 14.308 0.539 1.00 0.00 N ATOM 445 CA LEU A 29 0.210 14.747 0.748 1.00 0.00 C ATOM 446 C LEU A 29 0.534 16.005 -0.060 1.00 0.00 C ATOM 447 O LEU A 29 1.399 16.786 0.347 1.00 0.00 O ATOM 448 CB LEU A 29 1.203 13.643 0.348 1.00 0.00 C ATOM 449 CG LEU A 29 1.103 12.315 1.109 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.480 11.143 0.216 1.00 0.00 C ATOM 451 CD2 LEU A 29 1.971 12.329 2.358 1.00 0.00 C ATOM 0 H LEU A 29 -1.268 13.406 0.073 1.00 0.00 H new ATOM 0 HA LEU A 29 0.308 14.970 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.072 13.437 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.213 14.032 0.475 1.00 0.00 H new ATOM 0 HG LEU A 29 0.065 12.192 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.400 10.214 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.806 11.106 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.505 11.267 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.879 11.374 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.012 12.490 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.645 13.133 3.018 1.00 0.00 H new ATOM 576 N ASN A 38 0.381 18.010 6.698 1.00 0.00 N ATOM 577 CA ASN A 38 -0.616 16.978 6.852 1.00 0.00 C ATOM 578 C ASN A 38 -1.222 17.103 8.223 1.00 0.00 C ATOM 579 O ASN A 38 -0.500 17.278 9.208 1.00 0.00 O ATOM 580 CB ASN A 38 -0.011 15.572 6.652 1.00 0.00 C ATOM 581 CG ASN A 38 0.900 15.145 7.793 1.00 0.00 C ATOM 582 OD1 ASN A 38 2.115 15.305 7.717 1.00 0.00 O ATOM 583 ND2 ASN A 38 0.323 14.614 8.856 1.00 0.00 N ATOM 0 HA ASN A 38 -1.384 17.105 6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.818 14.847 6.549 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.553 15.555 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.890 14.321 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -0.690 14.497 8.882 1.00 0.00 H new ATOM 590 N ASP A 39 -2.519 16.990 8.314 1.00 0.00 N ATOM 591 CA ASP A 39 -3.184 17.042 9.597 1.00 0.00 C ATOM 592 C ASP A 39 -3.509 15.634 9.998 1.00 0.00 C ATOM 593 O ASP A 39 -4.447 15.065 9.464 1.00 0.00 O ATOM 594 CB ASP A 39 -4.479 17.905 9.529 1.00 0.00 C ATOM 595 CG ASP A 39 -5.410 17.721 10.711 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.949 17.373 11.811 1.00 0.00 O ATOM 597 OD2 ASP A 39 -6.607 17.933 10.555 1.00 0.00 O ATOM 0 H ASP A 39 -3.141 16.861 7.516 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.531 17.509 10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.199 18.956 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.018 17.660 8.614 1.00 0.00 H new ATOM 602 N PRO A 40 -2.736 15.022 10.918 1.00 0.00 N ATOM 603 CA PRO A 40 -2.984 13.636 11.352 1.00 0.00 C ATOM 604 C PRO A 40 -4.471 13.358 11.656 1.00 0.00 C ATOM 605 O PRO A 40 -4.929 12.228 11.506 1.00 0.00 O ATOM 606 CB PRO A 40 -2.146 13.515 12.623 1.00 0.00 C ATOM 607 CG PRO A 40 -1.008 14.463 12.415 1.00 0.00 C ATOM 608 CD PRO A 40 -1.555 15.610 11.605 1.00 0.00 C ATOM 0 HA PRO A 40 -2.723 12.916 10.576 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.726 13.780 13.507 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.791 12.495 12.768 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.615 14.814 13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.186 13.975 11.892 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.838 16.450 12.240 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.820 15.983 10.891 1.00 0.00 H new ATOM 616 N THR A 41 -5.214 14.399 12.058 1.00 0.00 N ATOM 617 CA THR A 41 -6.629 14.256 12.384 1.00 0.00 C ATOM 618 C THR A 41 -7.570 14.612 11.211 1.00 0.00 C ATOM 619 O THR A 41 -8.794 14.550 11.358 1.00 0.00 O ATOM 620 CB THR A 41 -6.958 15.075 13.647 1.00 0.00 C ATOM 621 OG1 THR A 41 -6.820 16.496 13.438 1.00 0.00 O ATOM 622 CG2 THR A 41 -6.073 14.716 14.804 1.00 0.00 C ATOM 0 H THR A 41 -4.853 15.347 12.163 1.00 0.00 H new ATOM 0 HA THR A 41 -6.810 13.200 12.584 1.00 0.00 H new ATOM 0 HB THR A 41 -7.996 14.828 13.870 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.905 16.697 13.150 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.344 15.320 15.670 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.198 13.660 15.044 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.033 14.907 14.539 1.00 0.00 H new ATOM 630 N SER A 42 -7.018 15.018 10.073 1.00 0.00 N ATOM 631 CA SER A 42 -7.831 15.379 8.942 1.00 0.00 C ATOM 632 C SER A 42 -8.530 14.151 8.358 1.00 0.00 C ATOM 633 O SER A 42 -7.976 13.033 8.387 1.00 0.00 O ATOM 634 CB SER A 42 -7.006 16.124 7.890 1.00 0.00 C ATOM 635 OG SER A 42 -5.861 15.386 7.454 1.00 0.00 O ATOM 0 H SER A 42 -6.013 15.102 9.920 1.00 0.00 H new ATOM 0 HA SER A 42 -8.609 16.062 9.283 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.638 16.345 7.030 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.681 17.080 8.301 1.00 0.00 H new ATOM 0 HG SER A 42 -5.123 15.526 8.083 1.00 0.00 H new ATOM 641 N ALA A 43 -9.757 14.345 7.875 1.00 0.00 N ATOM 642 CA ALA A 43 -10.589 13.257 7.332 1.00 0.00 C ATOM 643 C ALA A 43 -9.809 12.257 6.498 1.00 0.00 C ATOM 644 O ALA A 43 -9.980 11.029 6.663 1.00 0.00 O ATOM 645 CB ALA A 43 -11.750 13.805 6.523 1.00 0.00 C ATOM 0 H ALA A 43 -10.208 15.260 7.847 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.970 12.721 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.346 12.978 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.373 14.434 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.367 14.397 5.692 1.00 0.00 H new ATOM 651 N VAL A 44 -8.979 12.750 5.597 1.00 0.00 N ATOM 652 CA VAL A 44 -8.207 11.893 4.734 1.00 0.00 C ATOM 653 C VAL A 44 -7.086 11.259 5.506 1.00 0.00 C ATOM 654 O VAL A 44 -6.884 10.048 5.426 1.00 0.00 O ATOM 655 CB VAL A 44 -7.604 12.613 3.512 1.00 0.00 C ATOM 656 CG1 VAL A 44 -8.074 11.994 2.216 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.874 14.085 3.512 1.00 0.00 C ATOM 0 H VAL A 44 -8.826 13.747 5.448 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.909 11.147 4.361 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.525 12.482 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.629 12.527 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.772 10.947 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.160 12.061 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.425 14.537 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.950 14.258 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.444 14.534 4.407 1.00 0.00 H new ATOM 667 N ASN A 45 -6.359 12.077 6.283 1.00 0.00 N ATOM 668 CA ASN A 45 -5.266 11.562 7.093 1.00 0.00 C ATOM 669 C ASN A 45 -5.757 10.385 7.933 1.00 0.00 C ATOM 670 O ASN A 45 -5.087 9.348 8.022 1.00 0.00 O ATOM 671 CB ASN A 45 -4.674 12.630 8.016 1.00 0.00 C ATOM 672 CG ASN A 45 -3.366 13.217 7.499 1.00 0.00 C ATOM 673 OD1 ASN A 45 -3.355 14.108 6.654 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.255 12.735 8.008 1.00 0.00 N ATOM 0 H ASN A 45 -6.512 13.082 6.361 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.480 11.240 6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.400 13.433 8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.505 12.195 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.353 13.101 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.294 11.995 8.709 1.00 0.00 H new ATOM 681 N LEU A 46 -6.970 10.529 8.496 1.00 0.00 N ATOM 682 CA LEU A 46 -7.599 9.470 9.276 1.00 0.00 C ATOM 683 C LEU A 46 -7.918 8.304 8.373 1.00 0.00 C ATOM 684 O LEU A 46 -7.609 7.153 8.702 1.00 0.00 O ATOM 685 CB LEU A 46 -8.877 9.972 9.964 1.00 0.00 C ATOM 686 CG LEU A 46 -8.706 11.199 10.869 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.050 11.760 11.277 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.885 10.847 12.092 1.00 0.00 C ATOM 0 H LEU A 46 -7.530 11.378 8.419 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.905 9.152 10.054 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.612 10.210 9.195 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.291 9.158 10.560 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.175 11.965 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.902 12.629 11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.606 12.056 10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.612 11.000 11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.774 11.729 12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.389 10.061 12.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.901 10.497 11.781 1.00 0.00 H new ATOM 700 N GLN A 47 -8.475 8.615 7.184 1.00 0.00 N ATOM 701 CA GLN A 47 -8.769 7.604 6.201 1.00 0.00 C ATOM 702 C GLN A 47 -7.566 6.758 5.905 1.00 0.00 C ATOM 703 O GLN A 47 -7.603 5.552 6.043 1.00 0.00 O ATOM 704 CB GLN A 47 -9.264 8.203 4.935 1.00 0.00 C ATOM 705 CG GLN A 47 -10.739 8.180 4.921 1.00 0.00 C ATOM 706 CD GLN A 47 -11.249 9.097 3.947 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.708 8.709 2.874 1.00 0.00 O ATOM 708 NE2 GLN A 47 -11.164 10.314 4.283 1.00 0.00 N ATOM 0 H GLN A 47 -8.722 9.563 6.901 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.551 6.975 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.905 9.228 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.873 7.649 4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.090 7.172 4.698 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.121 8.440 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.772 10.566 5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.488 11.043 3.647 1.00 0.00 H new ATOM 717 N LEU A 48 -6.470 7.418 5.520 1.00 0.00 N ATOM 718 CA LEU A 48 -5.212 6.723 5.218 1.00 0.00 C ATOM 719 C LEU A 48 -4.745 5.932 6.421 1.00 0.00 C ATOM 720 O LEU A 48 -4.348 4.786 6.285 1.00 0.00 O ATOM 721 CB LEU A 48 -4.133 7.714 4.794 1.00 0.00 C ATOM 722 CG LEU A 48 -4.482 8.540 3.562 1.00 0.00 C ATOM 723 CD1 LEU A 48 -4.168 10.007 3.774 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.774 8.007 2.333 1.00 0.00 C ATOM 0 H LEU A 48 -6.427 8.431 5.410 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.394 6.036 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.933 8.391 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.211 7.166 4.599 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.556 8.452 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.429 10.568 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.745 10.384 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.104 10.125 3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.040 8.614 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.696 8.048 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.076 6.974 2.158 1.00 0.00 H new ATOM 736 N ASN A 49 -4.859 6.531 7.617 1.00 0.00 N ATOM 737 CA ASN A 49 -4.507 5.820 8.867 1.00 0.00 C ATOM 738 C ASN A 49 -5.321 4.536 8.959 1.00 0.00 C ATOM 739 O ASN A 49 -4.767 3.454 9.219 1.00 0.00 O ATOM 740 CB ASN A 49 -4.748 6.688 10.117 1.00 0.00 C ATOM 741 CG ASN A 49 -3.527 7.506 10.516 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.662 7.040 11.266 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.429 8.717 10.009 1.00 0.00 N ATOM 0 H ASN A 49 -5.185 7.488 7.750 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.442 5.590 8.836 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.584 7.361 9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.036 6.046 10.949 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.622 9.300 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.160 9.073 9.393 1.00 0.00 H new ATOM 750 N ASP A 50 -6.632 4.645 8.648 1.00 0.00 N ATOM 751 CA ASP A 50 -7.516 3.480 8.588 1.00 0.00 C ATOM 752 C ASP A 50 -7.020 2.547 7.508 1.00 0.00 C ATOM 753 O ASP A 50 -6.688 1.407 7.791 1.00 0.00 O ATOM 754 CB ASP A 50 -8.965 3.892 8.278 1.00 0.00 C ATOM 755 CG ASP A 50 -9.907 2.715 8.238 1.00 0.00 C ATOM 756 OD1 ASP A 50 -10.046 2.091 7.179 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.498 2.399 9.273 1.00 0.00 O ATOM 0 H ASP A 50 -7.092 5.530 8.436 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.505 2.985 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.307 4.600 9.033 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.994 4.409 7.319 1.00 0.00 H new ATOM 762 N LEU A 51 -6.919 3.075 6.277 1.00 0.00 N ATOM 763 CA LEU A 51 -6.403 2.355 5.110 1.00 0.00 C ATOM 764 C LEU A 51 -5.178 1.536 5.475 1.00 0.00 C ATOM 765 O LEU A 51 -5.156 0.337 5.280 1.00 0.00 O ATOM 766 CB LEU A 51 -6.024 3.359 4.015 1.00 0.00 C ATOM 767 CG LEU A 51 -7.161 3.783 3.102 1.00 0.00 C ATOM 768 CD1 LEU A 51 -7.309 5.290 3.029 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.954 3.241 1.740 1.00 0.00 C ATOM 0 H LEU A 51 -7.200 4.032 6.065 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.182 1.682 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.609 4.249 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.232 2.924 3.405 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.079 3.378 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.135 5.543 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.511 5.684 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.387 5.728 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.776 3.552 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.014 3.619 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.919 2.152 1.783 1.00 0.00 H new ATOM 781 N ILE A 52 -4.173 2.210 6.011 1.00 0.00 N ATOM 782 CA ILE A 52 -2.919 1.574 6.435 1.00 0.00 C ATOM 783 C ILE A 52 -3.199 0.285 7.239 1.00 0.00 C ATOM 784 O ILE A 52 -2.765 -0.797 6.846 1.00 0.00 O ATOM 785 CB ILE A 52 -2.029 2.560 7.271 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.572 3.734 6.407 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.811 1.865 7.881 1.00 0.00 C ATOM 788 CD1 ILE A 52 -1.289 4.983 7.197 1.00 0.00 C ATOM 0 H ILE A 52 -4.196 3.218 6.168 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.367 1.307 5.534 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.648 2.928 8.090 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.673 3.446 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.340 3.949 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.226 2.588 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.142 1.065 8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.195 1.446 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.969 5.776 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.193 5.295 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.500 4.784 7.922 1.00 0.00 H new ATOM 800 N GLU A 53 -3.989 0.401 8.307 1.00 0.00 N ATOM 801 CA GLU A 53 -4.376 -0.767 9.114 1.00 0.00 C ATOM 802 C GLU A 53 -5.266 -1.692 8.301 1.00 0.00 C ATOM 803 O GLU A 53 -5.012 -2.891 8.208 1.00 0.00 O ATOM 804 CB GLU A 53 -5.115 -0.323 10.371 1.00 0.00 C ATOM 805 CG GLU A 53 -4.215 0.031 11.505 1.00 0.00 C ATOM 806 CD GLU A 53 -4.944 0.062 12.800 1.00 0.00 C ATOM 807 OE1 GLU A 53 -5.517 1.100 13.126 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.978 -0.957 13.480 1.00 0.00 O ATOM 0 H GLU A 53 -4.374 1.286 8.636 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.471 -1.301 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.737 0.539 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.786 -1.121 10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.402 -0.692 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.762 1.005 11.319 1.00 0.00 H new ATOM 815 N HIS A 54 -6.272 -1.095 7.682 1.00 0.00 N ATOM 816 CA HIS A 54 -7.229 -1.772 6.793 1.00 0.00 C ATOM 817 C HIS A 54 -6.484 -2.742 5.870 1.00 0.00 C ATOM 818 O HIS A 54 -6.799 -3.936 5.805 1.00 0.00 O ATOM 819 CB HIS A 54 -7.946 -0.699 5.946 1.00 0.00 C ATOM 820 CG HIS A 54 -9.332 -1.028 5.520 1.00 0.00 C ATOM 821 ND1 HIS A 54 -10.421 -0.260 5.878 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.811 -2.025 4.740 1.00 0.00 C ATOM 823 CE1 HIS A 54 -11.514 -0.770 5.335 1.00 0.00 C ATOM 824 NE2 HIS A 54 -11.170 -1.844 4.636 1.00 0.00 N ATOM 0 H HIS A 54 -6.459 -0.097 7.781 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.953 -2.335 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.973 0.229 6.517 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.348 -0.508 5.055 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -10.388 0.571 6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.233 -2.816 4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.515 -0.379 5.442 1.00 0.00 H new ATOM 833 N ILE A 55 -5.461 -2.222 5.207 1.00 0.00 N ATOM 834 CA ILE A 55 -4.619 -3.007 4.333 1.00 0.00 C ATOM 835 C ILE A 55 -3.708 -3.921 5.159 1.00 0.00 C ATOM 836 O ILE A 55 -3.579 -5.098 4.847 1.00 0.00 O ATOM 837 CB ILE A 55 -3.753 -2.097 3.403 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.621 -1.062 2.684 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.987 -2.926 2.384 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.840 0.093 2.105 1.00 0.00 C ATOM 0 H ILE A 55 -5.195 -1.239 5.264 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.269 -3.614 3.703 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.036 -1.573 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.169 -1.556 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.361 -0.673 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.393 -2.267 1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.327 -3.622 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.690 -3.485 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.524 0.784 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.313 0.613 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.118 -0.283 1.380 1.00 0.00 H new ATOM 852 N ALA A 56 -3.086 -3.372 6.218 1.00 0.00 N ATOM 853 CA ALA A 56 -2.173 -4.145 7.083 1.00 0.00 C ATOM 854 C ALA A 56 -2.841 -5.405 7.597 1.00 0.00 C ATOM 855 O ALA A 56 -2.351 -6.511 7.362 1.00 0.00 O ATOM 856 CB ALA A 56 -1.658 -3.298 8.254 1.00 0.00 C ATOM 0 H ALA A 56 -3.198 -2.397 6.496 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.318 -4.434 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.989 -3.898 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.118 -2.433 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.501 -2.960 8.857 1.00 0.00 H new ATOM 862 N SER A 57 -3.974 -5.244 8.271 1.00 0.00 N ATOM 863 CA SER A 57 -4.724 -6.381 8.788 1.00 0.00 C ATOM 864 C SER A 57 -5.106 -7.341 7.652 1.00 0.00 C ATOM 865 O SER A 57 -4.937 -8.561 7.785 1.00 0.00 O ATOM 866 CB SER A 57 -5.956 -5.913 9.561 1.00 0.00 C ATOM 867 OG SER A 57 -5.580 -5.164 10.740 1.00 0.00 O ATOM 0 H SER A 57 -4.393 -4.336 8.472 1.00 0.00 H new ATOM 0 HA SER A 57 -4.086 -6.926 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.579 -5.293 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.556 -6.776 9.851 1.00 0.00 H new ATOM 0 HG SER A 57 -6.387 -4.875 11.215 1.00 0.00 H new ATOM 873 N PHE A 58 -5.525 -6.793 6.500 1.00 0.00 N ATOM 874 CA PHE A 58 -5.811 -7.634 5.335 1.00 0.00 C ATOM 875 C PHE A 58 -4.543 -8.406 4.944 1.00 0.00 C ATOM 876 O PHE A 58 -4.545 -9.641 4.917 1.00 0.00 O ATOM 877 CB PHE A 58 -6.333 -6.796 4.144 1.00 0.00 C ATOM 878 CG PHE A 58 -6.369 -7.549 2.833 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.011 -8.775 2.737 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.751 -7.037 1.709 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.035 -9.468 1.550 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.776 -7.729 0.517 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.418 -8.945 0.440 1.00 0.00 C ATOM 0 H PHE A 58 -5.670 -5.794 6.355 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.598 -8.340 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.337 -6.441 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.702 -5.915 4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.499 -9.191 3.606 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.243 -6.085 1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.538 -10.422 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.292 -7.318 -0.356 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.436 -9.488 -0.494 1.00 0.00 H new ATOM 893 N VAL A 59 -3.442 -7.670 4.722 1.00 0.00 N ATOM 894 CA VAL A 59 -2.143 -8.262 4.400 1.00 0.00 C ATOM 895 C VAL A 59 -1.756 -9.319 5.436 1.00 0.00 C ATOM 896 O VAL A 59 -1.433 -10.438 5.068 1.00 0.00 O ATOM 897 CB VAL A 59 -1.026 -7.175 4.281 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.358 -7.795 4.068 1.00 0.00 C ATOM 899 CG2 VAL A 59 -1.349 -6.210 3.148 1.00 0.00 C ATOM 0 H VAL A 59 -3.432 -6.651 4.762 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.238 -8.746 3.428 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.999 -6.630 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.103 -7.003 3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.601 -8.441 4.912 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.356 -8.382 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.563 -5.458 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.413 -6.760 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.302 -5.721 3.347 1.00 0.00 H new ATOM 909 N MET A 60 -1.834 -8.975 6.733 1.00 0.00 N ATOM 910 CA MET A 60 -1.532 -9.941 7.810 1.00 0.00 C ATOM 911 C MET A 60 -2.290 -11.253 7.565 1.00 0.00 C ATOM 912 O MET A 60 -1.686 -12.332 7.527 1.00 0.00 O ATOM 913 CB MET A 60 -1.904 -9.377 9.198 1.00 0.00 C ATOM 914 CG MET A 60 -0.730 -9.022 10.059 1.00 0.00 C ATOM 915 SD MET A 60 -1.104 -7.743 11.278 1.00 0.00 S ATOM 916 CE MET A 60 -1.353 -6.314 10.229 1.00 0.00 C ATOM 0 H MET A 60 -2.100 -8.047 7.061 1.00 0.00 H new ATOM 0 HA MET A 60 -0.458 -10.129 7.798 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.521 -8.489 9.062 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.515 -10.112 9.723 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.382 -9.917 10.575 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.088 -8.682 9.424 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.705 -5.502 10.560 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.112 -6.573 9.198 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.394 -5.995 10.289 1.00 0.00 H new ATOM 926 N SER A 61 -3.596 -11.135 7.325 1.00 0.00 N ATOM 927 CA SER A 61 -4.448 -12.261 7.011 1.00 0.00 C ATOM 928 C SER A 61 -3.998 -12.912 5.692 1.00 0.00 C ATOM 929 O SER A 61 -3.829 -14.133 5.621 1.00 0.00 O ATOM 930 CB SER A 61 -5.900 -11.791 6.932 1.00 0.00 C ATOM 931 OG SER A 61 -6.180 -10.752 7.898 1.00 0.00 O ATOM 0 H SER A 61 -4.088 -10.242 7.346 1.00 0.00 H new ATOM 0 HA SER A 61 -4.370 -13.013 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.108 -11.420 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.566 -12.637 7.104 1.00 0.00 H new ATOM 0 HG SER A 61 -5.933 -9.881 7.522 1.00 0.00 H new ATOM 937 N PHE A 62 -3.713 -12.075 4.684 1.00 0.00 N ATOM 938 CA PHE A 62 -3.174 -12.539 3.402 1.00 0.00 C ATOM 939 C PHE A 62 -1.952 -13.437 3.639 1.00 0.00 C ATOM 940 O PHE A 62 -1.895 -14.544 3.124 1.00 0.00 O ATOM 941 CB PHE A 62 -2.790 -11.342 2.520 1.00 0.00 C ATOM 942 CG PHE A 62 -2.820 -11.635 1.044 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.702 -12.146 0.402 1.00 0.00 C ATOM 944 CD2 PHE A 62 -3.967 -11.402 0.300 1.00 0.00 C ATOM 945 CE1 PHE A 62 -1.726 -12.417 -0.948 1.00 0.00 C ATOM 946 CE2 PHE A 62 -3.995 -11.673 -1.055 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.874 -12.182 -1.680 1.00 0.00 C ATOM 0 H PHE A 62 -3.849 -11.065 4.735 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.942 -13.117 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.470 -10.516 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.789 -11.008 2.794 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.801 -12.334 0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.847 -11.005 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.847 -12.813 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.893 -11.487 -1.625 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.894 -12.396 -2.738 1.00 0.00 H new ATOM 957 N LYS A 63 -1.018 -12.964 4.485 1.00 0.00 N ATOM 958 CA LYS A 63 0.192 -13.741 4.853 1.00 0.00 C ATOM 959 C LYS A 63 -0.172 -15.124 5.407 1.00 0.00 C ATOM 960 O LYS A 63 0.520 -16.107 5.139 1.00 0.00 O ATOM 961 CB LYS A 63 1.065 -12.990 5.879 1.00 0.00 C ATOM 962 CG LYS A 63 1.158 -11.476 5.661 1.00 0.00 C ATOM 963 CD LYS A 63 2.570 -10.968 5.831 1.00 0.00 C ATOM 964 CE LYS A 63 2.860 -10.551 7.264 1.00 0.00 C ATOM 965 NZ LYS A 63 4.128 -9.811 7.371 1.00 0.00 N ATOM 0 H LYS A 63 -1.073 -12.048 4.929 1.00 0.00 H new ATOM 0 HA LYS A 63 0.766 -13.869 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.668 -13.175 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.071 -13.409 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.802 -11.231 4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.502 -10.967 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.273 -11.745 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.731 -10.119 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.044 -9.930 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.901 -11.436 7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.150 -9.288 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.924 -10.480 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.207 -9.142 6.579 1.00 0.00 H new ATOM 979 N ILE A 64 -1.281 -15.198 6.141 1.00 0.00 N ATOM 980 CA ILE A 64 -1.779 -16.471 6.672 1.00 0.00 C ATOM 981 C ILE A 64 -2.184 -17.342 5.496 1.00 0.00 C ATOM 982 O ILE A 64 -1.866 -18.543 5.436 1.00 0.00 O ATOM 983 CB ILE A 64 -3.054 -16.289 7.576 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.931 -15.117 8.539 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.361 -17.550 8.352 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.176 -14.902 9.367 1.00 0.00 C ATOM 0 H ILE A 64 -1.855 -14.390 6.383 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.986 -16.912 7.276 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.876 -16.075 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.084 -15.287 9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.716 -14.210 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.247 -17.392 8.967 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.543 -18.370 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.515 -17.798 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.027 -14.053 10.034 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.021 -14.702 8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.379 -15.796 9.957 1.00 0.00 H new ATOM 998 N LYS A 65 -2.932 -16.730 4.586 1.00 0.00 N ATOM 999 CA LYS A 65 -3.450 -17.387 3.430 1.00 0.00 C ATOM 1000 C LYS A 65 -2.336 -17.827 2.481 1.00 0.00 C ATOM 1001 O LYS A 65 -2.294 -18.998 2.067 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.420 -16.459 2.701 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.627 -16.015 3.537 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.074 -14.598 3.170 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.578 -14.530 2.901 1.00 0.00 C ATOM 1006 NZ LYS A 65 -8.004 -15.451 1.818 1.00 0.00 N ATOM 0 H LYS A 65 -3.191 -15.745 4.648 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.975 -18.283 3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.877 -15.573 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.781 -16.963 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.453 -16.709 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.371 -16.054 4.596 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.818 -13.915 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.531 -14.263 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.119 -14.775 3.815 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.850 -13.509 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.584 -14.932 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.165 -15.839 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.562 -16.229 2.224 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.463 -16.898 2.103 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.401 -17.200 1.149 1.00 0.00 C ATOM 1022 C TYR A 66 0.963 -16.670 1.602 1.00 0.00 C ATOM 1023 O TYR A 66 1.056 -15.596 2.196 1.00 0.00 O ATOM 1024 CB TYR A 66 -0.747 -16.630 -0.238 1.00 0.00 C ATOM 1025 CG TYR A 66 0.035 -17.258 -1.373 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.096 -18.608 -1.676 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.910 -16.500 -2.132 1.00 0.00 C ATOM 1028 CE1 TYR A 66 0.626 -19.177 -2.700 1.00 0.00 C ATOM 1029 CE2 TYR A 66 1.632 -17.062 -3.159 1.00 0.00 C ATOM 1030 CZ TYR A 66 1.488 -18.401 -3.439 1.00 0.00 C ATOM 1031 OH TYR A 66 2.215 -18.966 -4.459 1.00 0.00 O ATOM 0 H TYR A 66 -1.469 -15.935 2.440 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.328 -18.286 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.812 -16.771 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.563 -15.556 -0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.774 -19.219 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.028 -15.449 -1.914 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.516 -20.228 -2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.308 -16.455 -3.743 1.00 0.00 H new ATOM 0 HH TYR A 66 2.589 -18.259 -5.025 1.00 0.00 H new ATOM 1041 N PRO A 67 2.039 -17.485 1.414 1.00 0.00 N ATOM 1042 CA PRO A 67 3.397 -17.126 1.831 1.00 0.00 C ATOM 1043 C PRO A 67 4.317 -16.617 0.671 1.00 0.00 C ATOM 1044 O PRO A 67 5.292 -15.887 0.918 1.00 0.00 O ATOM 1045 CB PRO A 67 3.912 -18.463 2.343 1.00 0.00 C ATOM 1046 CG PRO A 67 3.286 -19.480 1.425 1.00 0.00 C ATOM 1047 CD PRO A 67 1.987 -18.886 0.919 1.00 0.00 C ATOM 0 HA PRO A 67 3.398 -16.301 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.000 -18.510 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.621 -18.631 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.953 -19.711 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.101 -20.415 1.955 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.922 -18.927 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.121 -19.420 1.310 1.00 0.00 H new ATOM 1055 N ASP A 68 4.068 -17.088 -0.577 1.00 0.00 N ATOM 1056 CA ASP A 68 4.946 -16.769 -1.729 1.00 0.00 C ATOM 1057 C ASP A 68 4.859 -15.326 -2.206 1.00 0.00 C ATOM 1058 O ASP A 68 5.715 -14.879 -2.985 1.00 0.00 O ATOM 1059 CB ASP A 68 4.758 -17.750 -2.897 1.00 0.00 C ATOM 1060 CG ASP A 68 6.057 -18.271 -3.418 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.855 -18.774 -2.630 1.00 0.00 O ATOM 1062 OD2 ASP A 68 6.287 -18.184 -4.621 1.00 0.00 O ATOM 0 H ASP A 68 3.274 -17.684 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 68 5.957 -16.893 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.139 -18.586 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.220 -17.252 -3.703 1.00 0.00 H new ATOM 1067 N ASP A 69 3.879 -14.597 -1.723 1.00 0.00 N ATOM 1068 CA ASP A 69 3.719 -13.190 -2.025 1.00 0.00 C ATOM 1069 C ASP A 69 4.492 -12.315 -1.031 1.00 0.00 C ATOM 1070 O ASP A 69 4.340 -11.098 -1.041 1.00 0.00 O ATOM 1071 CB ASP A 69 2.259 -12.844 -1.944 1.00 0.00 C ATOM 1072 CG ASP A 69 1.712 -12.932 -0.543 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.295 -14.016 -0.165 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.746 -11.927 0.187 1.00 0.00 O ATOM 0 H ASP A 69 3.161 -14.968 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 69 4.111 -13.002 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.109 -11.834 -2.324 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.695 -13.516 -2.592 1.00 0.00 H new ATOM 1079 N GLY A 70 5.258 -12.952 -0.140 1.00 0.00 N ATOM 1080 CA GLY A 70 5.984 -12.257 0.917 1.00 0.00 C ATOM 1081 C GLY A 70 6.580 -10.921 0.513 1.00 0.00 C ATOM 1082 O GLY A 70 6.513 -9.966 1.286 1.00 0.00 O ATOM 0 H GLY A 70 5.389 -13.963 -0.135 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.308 -12.097 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.787 -12.904 1.272 1.00 0.00 H new ATOM 1086 N ASP A 71 7.113 -10.826 -0.709 1.00 0.00 N ATOM 1087 CA ASP A 71 7.670 -9.550 -1.197 1.00 0.00 C ATOM 1088 C ASP A 71 6.555 -8.532 -1.396 1.00 0.00 C ATOM 1089 O ASP A 71 6.645 -7.398 -0.912 1.00 0.00 O ATOM 1090 CB ASP A 71 8.452 -9.736 -2.502 1.00 0.00 C ATOM 1091 CG ASP A 71 9.876 -9.337 -2.362 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.647 -10.083 -1.736 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.247 -8.282 -2.879 1.00 0.00 O ATOM 0 H ASP A 71 7.173 -11.599 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 71 8.365 -9.182 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.397 -10.780 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.986 -9.145 -3.291 1.00 0.00 H new ATOM 1098 N LEU A 72 5.485 -8.959 -2.064 1.00 0.00 N ATOM 1099 CA LEU A 72 4.300 -8.128 -2.273 1.00 0.00 C ATOM 1100 C LEU A 72 3.756 -7.649 -0.941 1.00 0.00 C ATOM 1101 O LEU A 72 3.581 -6.447 -0.737 1.00 0.00 O ATOM 1102 CB LEU A 72 3.201 -8.919 -3.011 1.00 0.00 C ATOM 1103 CG LEU A 72 2.022 -8.109 -3.617 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.411 -6.673 -3.947 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.469 -8.802 -4.851 1.00 0.00 C ATOM 0 H LEU A 72 5.415 -9.890 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 72 4.592 -7.271 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.674 -9.480 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.786 -9.648 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 72 1.245 -8.067 -2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.552 -6.151 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.735 -6.166 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.225 -6.674 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.644 -8.217 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.255 -8.892 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.110 -9.795 -4.581 1.00 0.00 H new ATOM 1117 N SER A 73 3.521 -8.591 -0.022 1.00 0.00 N ATOM 1118 CA SER A 73 3.004 -8.249 1.310 1.00 0.00 C ATOM 1119 C SER A 73 3.939 -7.268 1.989 1.00 0.00 C ATOM 1120 O SER A 73 3.532 -6.164 2.336 1.00 0.00 O ATOM 1121 CB SER A 73 2.791 -9.500 2.184 1.00 0.00 C ATOM 1122 OG SER A 73 3.460 -10.637 1.645 1.00 0.00 O ATOM 0 H SER A 73 3.678 -9.588 -0.172 1.00 0.00 H new ATOM 0 HA SER A 73 2.028 -7.782 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.156 -9.306 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.725 -9.710 2.266 1.00 0.00 H new ATOM 0 HG SER A 73 2.929 -11.012 0.911 1.00 0.00 H new ATOM 1128 N GLU A 74 5.214 -7.651 2.085 1.00 0.00 N ATOM 1129 CA GLU A 74 6.252 -6.834 2.616 1.00 0.00 C ATOM 1130 C GLU A 74 6.232 -5.419 2.009 1.00 0.00 C ATOM 1131 O GLU A 74 6.305 -4.423 2.738 1.00 0.00 O ATOM 1132 CB GLU A 74 7.577 -7.515 2.327 1.00 0.00 C ATOM 1133 CG GLU A 74 8.697 -6.920 3.061 1.00 0.00 C ATOM 1134 CD GLU A 74 9.304 -7.858 4.034 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.116 -8.691 3.632 1.00 0.00 O ATOM 1136 OE2 GLU A 74 8.951 -7.788 5.203 1.00 0.00 O ATOM 0 H GLU A 74 5.539 -8.569 1.780 1.00 0.00 H new ATOM 0 HA GLU A 74 6.105 -6.718 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.501 -8.571 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.781 -7.462 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.459 -6.594 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.350 -6.031 3.587 1.00 0.00 H new ATOM 1143 N LEU A 75 6.111 -5.341 0.682 1.00 0.00 N ATOM 1144 CA LEU A 75 6.058 -4.060 -0.013 1.00 0.00 C ATOM 1145 C LEU A 75 4.793 -3.320 0.367 1.00 0.00 C ATOM 1146 O LEU A 75 4.845 -2.140 0.732 1.00 0.00 O ATOM 1147 CB LEU A 75 6.140 -4.243 -1.537 1.00 0.00 C ATOM 1148 CG LEU A 75 6.673 -3.047 -2.367 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.482 -2.069 -1.522 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.509 -3.546 -3.521 1.00 0.00 C ATOM 0 H LEU A 75 6.048 -6.154 0.069 1.00 0.00 H new ATOM 0 HA LEU A 75 6.922 -3.471 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.776 -5.105 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.143 -4.489 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 75 5.806 -2.508 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.833 -1.250 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.854 -1.672 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.338 -2.585 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.878 -2.697 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.353 -4.119 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.900 -4.183 -4.163 1.00 0.00 H new ATOM 1162 N VAL A 76 3.656 -4.022 0.316 1.00 0.00 N ATOM 1163 CA VAL A 76 2.381 -3.435 0.727 1.00 0.00 C ATOM 1164 C VAL A 76 2.521 -2.886 2.150 1.00 0.00 C ATOM 1165 O VAL A 76 2.289 -1.694 2.376 1.00 0.00 O ATOM 1166 CB VAL A 76 1.194 -4.465 0.674 1.00 0.00 C ATOM 1167 CG1 VAL A 76 -0.095 -3.842 1.195 1.00 0.00 C ATOM 1168 CG2 VAL A 76 0.978 -4.994 -0.741 1.00 0.00 C ATOM 0 H VAL A 76 3.594 -4.989 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 76 2.143 -2.637 0.024 1.00 0.00 H new ATOM 0 HB VAL A 76 1.466 -5.302 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.899 -4.576 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.046 -3.525 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.355 -2.978 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.150 -5.703 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.745 -4.164 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.884 -5.493 -1.085 1.00 0.00 H new ATOM 1178 N GLU A 77 2.979 -3.747 3.083 1.00 0.00 N ATOM 1179 CA GLU A 77 3.215 -3.350 4.479 1.00 0.00 C ATOM 1180 C GLU A 77 4.100 -2.107 4.535 1.00 0.00 C ATOM 1181 O GLU A 77 3.712 -1.091 5.141 1.00 0.00 O ATOM 1182 CB GLU A 77 3.835 -4.504 5.289 1.00 0.00 C ATOM 1183 CG GLU A 77 2.916 -5.717 5.448 1.00 0.00 C ATOM 1184 CD GLU A 77 3.512 -6.773 6.315 1.00 0.00 C ATOM 1185 OE1 GLU A 77 3.475 -6.630 7.540 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.034 -7.763 5.782 1.00 0.00 O ATOM 0 H GLU A 77 3.192 -4.725 2.889 1.00 0.00 H new ATOM 0 HA GLU A 77 2.253 -3.110 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.757 -4.821 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.107 -4.135 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.965 -5.396 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.700 -6.137 4.466 1.00 0.00 H new ATOM 1193 N GLU A 78 5.251 -2.160 3.843 1.00 0.00 N ATOM 1194 CA GLU A 78 6.156 -1.009 3.740 1.00 0.00 C ATOM 1195 C GLU A 78 5.394 0.226 3.256 1.00 0.00 C ATOM 1196 O GLU A 78 5.550 1.317 3.811 1.00 0.00 O ATOM 1197 CB GLU A 78 7.296 -1.305 2.767 1.00 0.00 C ATOM 1198 CG GLU A 78 8.451 -2.105 3.356 1.00 0.00 C ATOM 1199 CD GLU A 78 9.772 -1.631 2.848 1.00 0.00 C ATOM 1200 OE1 GLU A 78 9.884 -1.342 1.643 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.706 -1.510 3.643 1.00 0.00 O ATOM 0 H GLU A 78 5.574 -2.990 3.347 1.00 0.00 H new ATOM 0 HA GLU A 78 6.569 -0.818 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.893 -1.851 1.914 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.684 -0.360 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.430 -2.026 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.325 -3.159 3.111 1.00 0.00 H new ATOM 1208 N TYR A 79 4.580 0.048 2.215 1.00 0.00 N ATOM 1209 CA TYR A 79 3.786 1.139 1.664 1.00 0.00 C ATOM 1210 C TYR A 79 2.881 1.736 2.739 1.00 0.00 C ATOM 1211 O TYR A 79 2.885 2.961 2.958 1.00 0.00 O ATOM 1212 CB TYR A 79 2.953 0.675 0.454 1.00 0.00 C ATOM 1213 CG TYR A 79 2.391 1.810 -0.372 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.104 2.990 -0.541 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.146 1.706 -0.978 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.604 4.016 -1.280 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.635 2.742 -1.729 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.367 3.894 -1.876 1.00 0.00 C ATOM 1219 OH TYR A 79 0.865 4.926 -2.631 1.00 0.00 O ATOM 0 H TYR A 79 4.455 -0.845 1.738 1.00 0.00 H new ATOM 0 HA TYR A 79 4.475 1.909 1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.575 0.047 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.130 0.054 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.074 3.094 -0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.570 0.800 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.175 4.925 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.333 2.649 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 79 1.154 5.781 -2.250 1.00 0.00 H new ATOM 1229 N LEU A 80 2.134 0.879 3.444 1.00 0.00 N ATOM 1230 CA LEU A 80 1.274 1.349 4.549 1.00 0.00 C ATOM 1231 C LEU A 80 2.138 2.052 5.591 1.00 0.00 C ATOM 1232 O LEU A 80 1.813 3.162 6.033 1.00 0.00 O ATOM 1233 CB LEU A 80 0.489 0.193 5.218 1.00 0.00 C ATOM 1234 CG LEU A 80 0.187 -1.039 4.351 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.516 -2.098 5.150 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.620 -0.666 3.120 1.00 0.00 C ATOM 0 H LEU A 80 2.103 -0.127 3.278 1.00 0.00 H new ATOM 0 HA LEU A 80 0.541 2.038 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.051 -0.137 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.458 0.592 5.581 1.00 0.00 H new ATOM 0 HG LEU A 80 1.140 -1.445 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.719 -2.959 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.115 -2.404 5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.456 -1.701 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.816 -1.560 2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.566 -0.219 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.058 0.050 2.520 1.00 0.00 H new ATOM 1248 N ASP A 81 3.273 1.416 5.925 1.00 0.00 N ATOM 1249 CA ASP A 81 4.253 1.961 6.872 1.00 0.00 C ATOM 1250 C ASP A 81 4.665 3.363 6.478 1.00 0.00 C ATOM 1251 O ASP A 81 4.522 4.306 7.266 1.00 0.00 O ATOM 1252 CB ASP A 81 5.497 1.079 6.913 1.00 0.00 C ATOM 1253 CG ASP A 81 6.297 1.291 8.143 1.00 0.00 C ATOM 1254 OD1 ASP A 81 5.926 0.769 9.184 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.313 1.967 8.067 1.00 0.00 O ATOM 0 H ASP A 81 3.535 0.507 5.543 1.00 0.00 H new ATOM 0 HA ASP A 81 3.783 1.987 7.855 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.200 0.032 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.116 1.286 6.040 1.00 0.00 H new ATOM 1260 N ASP A 82 5.199 3.505 5.263 1.00 0.00 N ATOM 1261 CA ASP A 82 5.636 4.823 4.754 1.00 0.00 C ATOM 1262 C ASP A 82 4.488 5.816 4.850 1.00 0.00 C ATOM 1263 O ASP A 82 4.637 6.904 5.426 1.00 0.00 O ATOM 1264 CB ASP A 82 6.096 4.745 3.287 1.00 0.00 C ATOM 1265 CG ASP A 82 7.516 4.301 3.089 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.321 4.356 4.031 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.829 3.893 1.982 1.00 0.00 O ATOM 0 H ASP A 82 5.342 2.734 4.611 1.00 0.00 H new ATOM 0 HA ASP A 82 6.478 5.147 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.439 4.059 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.971 5.727 2.830 1.00 0.00 H new ATOM 1272 N THR A 83 3.321 5.412 4.320 1.00 0.00 N ATOM 1273 CA THR A 83 2.105 6.231 4.372 1.00 0.00 C ATOM 1274 C THR A 83 1.827 6.671 5.824 1.00 0.00 C ATOM 1275 O THR A 83 1.642 7.869 6.096 1.00 0.00 O ATOM 1276 CB THR A 83 0.895 5.452 3.790 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.233 4.813 2.558 1.00 0.00 O ATOM 1278 CG2 THR A 83 -0.314 6.322 3.515 1.00 0.00 C ATOM 0 H THR A 83 3.197 4.516 3.848 1.00 0.00 H new ATOM 0 HA THR A 83 2.255 7.122 3.762 1.00 0.00 H new ATOM 0 HB THR A 83 0.643 4.726 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.546 3.902 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.119 5.709 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.645 6.789 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 83 -0.049 7.095 2.794 1.00 0.00 H new ATOM 1286 N TYR A 84 1.851 5.699 6.754 1.00 0.00 N ATOM 1287 CA TYR A 84 1.660 5.971 8.173 1.00 0.00 C ATOM 1288 C TYR A 84 2.716 6.956 8.659 1.00 0.00 C ATOM 1289 O TYR A 84 2.379 7.977 9.239 1.00 0.00 O ATOM 1290 CB TYR A 84 1.727 4.660 8.983 1.00 0.00 C ATOM 1291 CG TYR A 84 1.651 4.845 10.479 1.00 0.00 C ATOM 1292 CD1 TYR A 84 2.801 5.028 11.227 1.00 0.00 C ATOM 1293 CD2 TYR A 84 0.434 4.832 11.139 1.00 0.00 C ATOM 1294 CE1 TYR A 84 2.743 5.193 12.595 1.00 0.00 C ATOM 1295 CE2 TYR A 84 0.364 4.997 12.505 1.00 0.00 C ATOM 1296 CZ TYR A 84 1.522 5.175 13.229 1.00 0.00 C ATOM 1297 OH TYR A 84 1.457 5.334 14.595 1.00 0.00 O ATOM 0 H TYR A 84 2.003 4.714 6.536 1.00 0.00 H new ATOM 0 HA TYR A 84 0.675 6.414 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.910 4.011 8.668 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.656 4.144 8.740 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.760 5.042 10.731 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.475 4.690 10.574 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.650 5.335 13.165 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.593 4.987 13.005 1.00 0.00 H new ATOM 0 HH TYR A 84 0.521 5.298 14.884 1.00 0.00 H new ATOM 1307 N THR A 85 3.984 6.649 8.377 1.00 0.00 N ATOM 1308 CA THR A 85 5.109 7.517 8.742 1.00 0.00 C ATOM 1309 C THR A 85 4.827 8.980 8.312 1.00 0.00 C ATOM 1310 O THR A 85 4.761 9.885 9.155 1.00 0.00 O ATOM 1311 CB THR A 85 6.434 6.993 8.100 1.00 0.00 C ATOM 1312 OG1 THR A 85 6.565 5.563 8.226 1.00 0.00 O ATOM 1313 CG2 THR A 85 7.684 7.612 8.694 1.00 0.00 C ATOM 0 H THR A 85 4.261 5.796 7.891 1.00 0.00 H new ATOM 0 HA THR A 85 5.226 7.498 9.826 1.00 0.00 H new ATOM 0 HB THR A 85 6.355 7.285 7.053 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.021 5.123 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.564 7.201 8.199 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.659 8.692 8.550 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.729 7.389 9.760 1.00 0.00 H new ATOM 1321 N LEU A 86 4.603 9.184 7.006 1.00 0.00 N ATOM 1322 CA LEU A 86 4.304 10.508 6.449 1.00 0.00 C ATOM 1323 C LEU A 86 3.113 11.142 7.142 1.00 0.00 C ATOM 1324 O LEU A 86 3.241 12.181 7.803 1.00 0.00 O ATOM 1325 CB LEU A 86 3.967 10.379 4.970 1.00 0.00 C ATOM 1326 CG LEU A 86 5.051 10.758 3.937 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.046 11.775 4.482 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.766 9.532 3.426 1.00 0.00 C ATOM 0 H LEU A 86 4.624 8.439 6.310 1.00 0.00 H new ATOM 0 HA LEU A 86 5.185 11.133 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.677 9.345 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.090 10.996 4.774 1.00 0.00 H new ATOM 0 HG LEU A 86 4.535 11.232 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.786 12.007 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.518 12.686 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.547 11.361 5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.523 9.829 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.244 9.016 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.048 8.865 2.949 1.00 0.00 H new ATOM 1340 N PHE A 87 1.941 10.532 6.941 1.00 0.00 N ATOM 1341 CA PHE A 87 0.683 11.052 7.471 1.00 0.00 C ATOM 1342 C PHE A 87 0.672 11.181 8.993 1.00 0.00 C ATOM 1343 O PHE A 87 -0.174 11.893 9.538 1.00 0.00 O ATOM 1344 CB PHE A 87 -0.512 10.243 6.959 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.819 10.526 5.508 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -1.328 11.756 5.117 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.579 9.574 4.537 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -1.592 12.026 3.799 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.841 9.841 3.208 1.00 0.00 C ATOM 1350 CZ PHE A 87 -1.351 11.070 2.843 1.00 0.00 C ATOM 0 H PHE A 87 1.841 9.668 6.408 1.00 0.00 H new ATOM 0 HA PHE A 87 0.589 12.069 7.091 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.308 9.180 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.389 10.472 7.565 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.519 12.513 5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.182 8.610 4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.989 12.989 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.647 9.090 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.561 11.280 1.805 1.00 0.00 H new ATOM 1360 N SER A 88 1.613 10.542 9.673 1.00 0.00 N ATOM 1361 CA SER A 88 1.713 10.678 11.109 1.00 0.00 C ATOM 1362 C SER A 88 2.572 11.908 11.515 1.00 0.00 C ATOM 1363 O SER A 88 2.688 12.221 12.708 1.00 0.00 O ATOM 1364 CB SER A 88 2.266 9.405 11.706 1.00 0.00 C ATOM 1365 OG SER A 88 1.271 8.371 11.717 1.00 0.00 O ATOM 0 H SER A 88 2.311 9.929 9.252 1.00 0.00 H new ATOM 0 HA SER A 88 0.712 10.849 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.132 9.076 11.132 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.610 9.595 12.723 1.00 0.00 H new ATOM 0 HG SER A 88 1.303 7.877 10.871 1.00 0.00 H new ATOM 1371 N SER A 89 3.149 12.616 10.536 1.00 0.00 N ATOM 1372 CA SER A 89 3.957 13.812 10.807 1.00 0.00 C ATOM 1373 C SER A 89 3.066 15.070 10.828 1.00 0.00 C ATOM 1374 O SER A 89 1.835 14.956 10.892 1.00 0.00 O ATOM 1375 CB SER A 89 5.061 13.953 9.736 1.00 0.00 C ATOM 1376 OG SER A 89 5.569 12.672 9.338 1.00 0.00 O ATOM 0 H SER A 89 3.071 12.381 9.547 1.00 0.00 H new ATOM 0 HA SER A 89 4.425 13.707 11.786 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.662 14.474 8.866 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.875 14.563 10.128 1.00 0.00 H new ATOM 0 HG SER A 89 4.920 12.231 8.751 1.00 0.00 H new ATOM 1382 N TYR A 90 3.684 16.253 10.740 1.00 0.00 N ATOM 1383 CA TYR A 90 2.951 17.512 10.671 1.00 0.00 C ATOM 1384 C TYR A 90 3.100 18.116 9.271 1.00 0.00 C ATOM 1385 O TYR A 90 2.110 18.467 8.623 1.00 0.00 O ATOM 1386 CB TYR A 90 3.444 18.488 11.740 1.00 0.00 C ATOM 1387 CG TYR A 90 2.795 18.280 13.090 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.415 18.346 13.235 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.558 18.007 14.214 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.817 18.149 14.455 1.00 0.00 C ATOM 1391 CE2 TYR A 90 2.969 17.806 15.441 1.00 0.00 C ATOM 1392 CZ TYR A 90 1.595 17.878 15.558 1.00 0.00 C ATOM 1393 OH TYR A 90 0.988 17.678 16.787 1.00 0.00 O ATOM 0 H TYR A 90 4.698 16.360 10.715 1.00 0.00 H new ATOM 0 HA TYR A 90 1.896 17.318 10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.524 18.385 11.845 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.252 19.508 11.406 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.801 18.556 12.372 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.633 17.951 14.125 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.257 18.206 14.549 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.578 17.593 16.307 1.00 0.00 H new ATOM 0 HH TYR A 90 1.673 17.496 17.464 1.00 0.00 H new ATOM 1403 N GLY A 91 4.333 18.159 8.782 1.00 0.00 N ATOM 1404 CA GLY A 91 4.613 18.604 7.436 1.00 0.00 C ATOM 1405 C GLY A 91 5.139 17.445 6.627 1.00 0.00 C ATOM 1406 O GLY A 91 5.883 16.597 7.172 1.00 0.00 O ATOM 0 H GLY A 91 5.161 17.886 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.708 19.002 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.344 19.412 7.453 1.00 0.00 H new ATOM 1410 N ILE A 92 4.740 17.341 5.364 1.00 0.00 N ATOM 1411 CA ILE A 92 5.171 16.215 4.548 1.00 0.00 C ATOM 1412 C ILE A 92 6.677 16.258 4.290 1.00 0.00 C ATOM 1413 O ILE A 92 7.209 17.230 3.724 1.00 0.00 O ATOM 1414 CB ILE A 92 4.368 16.074 3.225 1.00 0.00 C ATOM 1415 CG1 ILE A 92 2.884 15.870 3.540 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.879 14.888 2.409 1.00 0.00 C ATOM 1417 CD1 ILE A 92 2.609 14.697 4.478 1.00 0.00 C ATOM 0 H ILE A 92 4.131 18.009 4.891 1.00 0.00 H new ATOM 0 HA ILE A 92 4.953 15.318 5.128 1.00 0.00 H new ATOM 0 HB ILE A 92 4.500 16.986 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.488 16.782 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.342 15.712 2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.304 14.806 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.931 15.038 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.767 13.972 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.536 14.616 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.973 13.775 4.024 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.121 14.861 5.426 1.00 0.00 H new ATOM 1429 N ASN A 93 7.359 15.211 4.732 1.00 0.00 N ATOM 1430 CA ASN A 93 8.810 15.107 4.600 1.00 0.00 C ATOM 1431 C ASN A 93 9.180 14.539 3.250 1.00 0.00 C ATOM 1432 O ASN A 93 8.816 13.389 2.938 1.00 0.00 O ATOM 1433 CB ASN A 93 9.413 14.207 5.700 1.00 0.00 C ATOM 1434 CG ASN A 93 8.970 14.580 7.102 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.594 15.421 7.756 1.00 0.00 O ATOM 1436 ND2 ASN A 93 7.916 13.949 7.585 1.00 0.00 N ATOM 0 H ASN A 93 6.926 14.410 5.192 1.00 0.00 H new ATOM 0 HA ASN A 93 9.216 16.113 4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.134 13.172 5.504 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.500 14.260 5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.590 14.150 8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.427 13.260 7.013 1.00 0.00 H new ATOM 1443 N ASP A 94 9.942 15.309 2.463 1.00 0.00 N ATOM 1444 CA ASP A 94 10.425 14.842 1.157 1.00 0.00 C ATOM 1445 C ASP A 94 11.174 13.518 1.296 1.00 0.00 C ATOM 1446 O ASP A 94 10.881 12.581 0.573 1.00 0.00 O ATOM 1447 CB ASP A 94 11.319 15.888 0.468 1.00 0.00 C ATOM 1448 CG ASP A 94 11.562 15.577 -0.980 1.00 0.00 C ATOM 1449 OD1 ASP A 94 10.606 15.564 -1.749 1.00 0.00 O ATOM 1450 OD2 ASP A 94 12.719 15.351 -1.348 1.00 0.00 O ATOM 0 H ASP A 94 10.237 16.255 2.706 1.00 0.00 H new ATOM 0 HA ASP A 94 9.548 14.687 0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.853 16.870 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.275 15.943 0.989 1.00 0.00 H new ATOM 1455 N PRO A 95 12.162 13.412 2.244 1.00 0.00 N ATOM 1456 CA PRO A 95 12.915 12.160 2.462 1.00 0.00 C ATOM 1457 C PRO A 95 11.989 10.944 2.553 1.00 0.00 C ATOM 1458 O PRO A 95 12.148 9.970 1.805 1.00 0.00 O ATOM 1459 CB PRO A 95 13.615 12.403 3.800 1.00 0.00 C ATOM 1460 CG PRO A 95 13.801 13.877 3.867 1.00 0.00 C ATOM 1461 CD PRO A 95 12.614 14.485 3.172 1.00 0.00 C ATOM 0 HA PRO A 95 13.599 11.939 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.012 12.042 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.571 11.881 3.848 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.861 14.215 4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.730 14.174 3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.832 14.758 3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.887 15.392 2.633 1.00 0.00 H new ATOM 1469 N GLU A 96 11.013 11.011 3.457 1.00 0.00 N ATOM 1470 CA GLU A 96 10.051 9.947 3.632 1.00 0.00 C ATOM 1471 C GLU A 96 9.171 9.799 2.388 1.00 0.00 C ATOM 1472 O GLU A 96 9.041 8.704 1.848 1.00 0.00 O ATOM 1473 CB GLU A 96 9.200 10.207 4.878 1.00 0.00 C ATOM 1474 CG GLU A 96 9.903 9.863 6.191 1.00 0.00 C ATOM 1475 CD GLU A 96 10.454 11.060 6.892 1.00 0.00 C ATOM 1476 OE1 GLU A 96 11.255 11.779 6.297 1.00 0.00 O ATOM 1477 OE2 GLU A 96 10.108 11.275 8.049 1.00 0.00 O ATOM 0 H GLU A 96 10.875 11.805 4.082 1.00 0.00 H new ATOM 0 HA GLU A 96 10.589 9.009 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.912 11.258 4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.281 9.625 4.806 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.199 9.355 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.713 9.162 5.989 1.00 0.00 H new ATOM 1484 N LEU A 97 8.585 10.907 1.918 1.00 0.00 N ATOM 1485 CA LEU A 97 7.727 10.864 0.722 1.00 0.00 C ATOM 1486 C LEU A 97 8.455 10.262 -0.473 1.00 0.00 C ATOM 1487 O LEU A 97 7.932 9.360 -1.131 1.00 0.00 O ATOM 1488 CB LEU A 97 7.180 12.245 0.355 1.00 0.00 C ATOM 1489 CG LEU A 97 6.205 12.256 -0.830 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.882 11.617 -0.454 1.00 0.00 C ATOM 1491 CD2 LEU A 97 5.990 13.659 -1.327 1.00 0.00 C ATOM 0 H LEU A 97 8.685 11.831 2.338 1.00 0.00 H new ATOM 0 HA LEU A 97 6.884 10.221 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.676 12.664 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.018 12.903 0.124 1.00 0.00 H new ATOM 0 HG LEU A 97 6.648 11.668 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.211 11.639 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.050 10.584 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.433 12.169 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.296 13.645 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.576 14.270 -0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.942 14.080 -1.650 1.00 0.00 H new ATOM 1503 N GLN A 98 9.658 10.760 -0.762 1.00 0.00 N ATOM 1504 CA GLN A 98 10.437 10.249 -1.887 1.00 0.00 C ATOM 1505 C GLN A 98 10.720 8.750 -1.737 1.00 0.00 C ATOM 1506 O GLN A 98 10.846 8.038 -2.747 1.00 0.00 O ATOM 1507 CB GLN A 98 11.728 11.056 -2.100 1.00 0.00 C ATOM 1508 CG GLN A 98 11.472 12.528 -2.403 1.00 0.00 C ATOM 1509 CD GLN A 98 10.439 12.720 -3.444 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.640 12.351 -4.598 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.340 13.285 -3.078 1.00 0.00 N ATOM 0 H GLN A 98 10.109 11.509 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 98 9.832 10.376 -2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.349 10.978 -1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.293 10.615 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.161 13.035 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.401 12.996 -2.727 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.215 13.576 -2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.596 13.441 -3.758 1.00 0.00 H new ATOM 1520 N ARG A 99 10.745 8.258 -0.491 1.00 0.00 N ATOM 1521 CA ARG A 99 10.889 6.839 -0.233 1.00 0.00 C ATOM 1522 C ARG A 99 9.528 6.158 -0.427 1.00 0.00 C ATOM 1523 O ARG A 99 9.429 5.148 -1.134 1.00 0.00 O ATOM 1524 CB ARG A 99 11.417 6.598 1.188 1.00 0.00 C ATOM 1525 CG ARG A 99 11.978 5.212 1.397 1.00 0.00 C ATOM 1526 CD ARG A 99 10.867 4.210 1.690 1.00 0.00 C ATOM 1527 NE ARG A 99 11.272 3.210 2.682 1.00 0.00 N ATOM 1528 CZ ARG A 99 10.945 1.899 2.653 1.00 0.00 C ATOM 1529 NH1 ARG A 99 10.141 1.416 1.696 1.00 0.00 N ATOM 1530 NH2 ARG A 99 11.410 1.089 3.603 1.00 0.00 N ATOM 0 H ARG A 99 10.666 8.832 0.348 1.00 0.00 H new ATOM 0 HA ARG A 99 11.611 6.414 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.192 7.332 1.408 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.609 6.765 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.528 4.901 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.688 5.224 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.986 4.741 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.580 3.708 0.766 1.00 0.00 H new ATOM 0 HE ARG A 99 11.849 3.530 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.769 2.040 0.980 1.00 0.00 H new ATOM 0 HH12 ARG A 99 9.901 0.425 1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.007 1.460 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.169 0.098 3.591 1.00 0.00 H new ATOM 1544 N TRP A 100 8.467 6.797 0.114 1.00 0.00 N ATOM 1545 CA TRP A 100 7.066 6.346 -0.062 1.00 0.00 C ATOM 1546 C TRP A 100 6.830 6.085 -1.533 1.00 0.00 C ATOM 1547 O TRP A 100 6.323 5.025 -1.924 1.00 0.00 O ATOM 1548 CB TRP A 100 6.091 7.444 0.441 1.00 0.00 C ATOM 1549 CG TRP A 100 4.629 7.073 0.433 1.00 0.00 C ATOM 1550 CD1 TRP A 100 3.998 6.225 1.283 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.610 7.561 -0.460 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.670 6.158 0.991 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.400 6.956 -0.069 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.596 8.442 -1.545 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.199 7.200 -0.712 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.389 8.684 -2.188 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.207 8.059 -1.762 1.00 0.00 C ATOM 0 H TRP A 100 8.556 7.638 0.684 1.00 0.00 H new ATOM 0 HA TRP A 100 6.891 5.436 0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.373 7.716 1.458 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.225 8.333 -0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.481 5.679 2.080 1.00 0.00 H new ATOM 0 HE1 TRP A 100 1.984 5.594 1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.504 8.924 -1.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.286 6.722 -0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.360 9.363 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.283 8.266 -2.282 1.00 0.00 H new ATOM 1568 N GLN A 101 7.258 7.053 -2.356 1.00 0.00 N ATOM 1569 CA GLN A 101 7.167 6.947 -3.795 1.00 0.00 C ATOM 1570 C GLN A 101 7.822 5.663 -4.295 1.00 0.00 C ATOM 1571 O GLN A 101 7.145 4.836 -4.888 1.00 0.00 O ATOM 1572 CB GLN A 101 7.778 8.175 -4.465 1.00 0.00 C ATOM 1573 CG GLN A 101 7.214 9.482 -3.931 1.00 0.00 C ATOM 1574 CD GLN A 101 6.155 10.069 -4.817 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.568 9.375 -5.668 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.872 11.314 -4.611 1.00 0.00 N ATOM 0 H GLN A 101 7.674 7.925 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 101 6.112 6.904 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.858 8.164 -4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.603 8.121 -5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.797 9.313 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.025 10.202 -3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.381 11.842 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.140 11.768 -5.157 1.00 0.00 H new ATOM 1585 N LYS A 102 9.119 5.460 -3.989 1.00 0.00 N ATOM 1586 CA LYS A 102 9.821 4.219 -4.388 1.00 0.00 C ATOM 1587 C LYS A 102 9.019 2.995 -3.969 1.00 0.00 C ATOM 1588 O LYS A 102 8.778 2.088 -4.777 1.00 0.00 O ATOM 1589 CB LYS A 102 11.202 4.145 -3.750 1.00 0.00 C ATOM 1590 CG LYS A 102 12.104 5.294 -4.080 1.00 0.00 C ATOM 1591 CD LYS A 102 13.261 5.305 -3.127 1.00 0.00 C ATOM 1592 CE LYS A 102 13.756 6.696 -2.805 1.00 0.00 C ATOM 1593 NZ LYS A 102 13.276 7.745 -3.755 1.00 0.00 N ATOM 0 H LYS A 102 9.696 6.126 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 102 9.927 4.235 -5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.085 4.091 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.684 3.220 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.463 5.206 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.555 6.233 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.966 4.809 -2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.080 4.725 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.437 6.960 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.846 6.692 -2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.915 8.565 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.263 7.359 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.316 8.042 -3.488 1.00 0.00 H new ATOM 1607 N THR A 103 8.598 2.982 -2.705 1.00 0.00 N ATOM 1608 CA THR A 103 7.823 1.882 -2.168 1.00 0.00 C ATOM 1609 C THR A 103 6.550 1.630 -2.999 1.00 0.00 C ATOM 1610 O THR A 103 6.295 0.481 -3.392 1.00 0.00 O ATOM 1611 CB THR A 103 7.535 2.111 -0.675 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.695 2.661 -0.037 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.166 0.849 0.085 1.00 0.00 C ATOM 0 H THR A 103 8.786 3.729 -2.036 1.00 0.00 H new ATOM 0 HA THR A 103 8.411 0.967 -2.243 1.00 0.00 H new ATOM 0 HB THR A 103 6.681 2.787 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.435 3.439 0.500 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.978 1.095 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.268 0.411 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.986 0.134 0.023 1.00 0.00 H new ATOM 1621 N LYS A 104 5.805 2.702 -3.369 1.00 0.00 N ATOM 1622 CA LYS A 104 4.644 2.505 -4.255 1.00 0.00 C ATOM 1623 C LYS A 104 5.103 2.070 -5.633 1.00 0.00 C ATOM 1624 O LYS A 104 4.623 1.058 -6.145 1.00 0.00 O ATOM 1625 CB LYS A 104 3.668 3.718 -4.363 1.00 0.00 C ATOM 1626 CG LYS A 104 4.247 5.107 -4.091 1.00 0.00 C ATOM 1627 CD LYS A 104 3.758 6.132 -5.114 1.00 0.00 C ATOM 1628 CE LYS A 104 4.645 6.183 -6.370 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.558 7.491 -7.073 1.00 0.00 N ATOM 0 H LYS A 104 5.979 3.665 -3.081 1.00 0.00 H new ATOM 0 HA LYS A 104 4.058 1.718 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.242 3.720 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.845 3.553 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.965 5.429 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.336 5.059 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.736 5.890 -5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.733 7.118 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.681 5.993 -6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.350 5.386 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.198 7.488 -7.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.582 7.647 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.833 8.254 -6.422 1.00 0.00 H new ATOM 1643 N GLU A 105 6.084 2.808 -6.214 1.00 0.00 N ATOM 1644 CA GLU A 105 6.639 2.455 -7.535 1.00 0.00 C ATOM 1645 C GLU A 105 6.875 0.950 -7.609 1.00 0.00 C ATOM 1646 O GLU A 105 6.243 0.257 -8.431 1.00 0.00 O ATOM 1647 CB GLU A 105 7.960 3.205 -7.846 1.00 0.00 C ATOM 1648 CG GLU A 105 7.963 4.707 -7.527 1.00 0.00 C ATOM 1649 CD GLU A 105 8.825 5.528 -8.446 1.00 0.00 C ATOM 1650 OE1 GLU A 105 8.905 5.216 -9.640 1.00 0.00 O ATOM 1651 OE2 GLU A 105 9.420 6.494 -7.981 1.00 0.00 O ATOM 0 H GLU A 105 6.498 3.639 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 105 5.908 2.761 -8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.766 2.731 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.189 3.076 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.940 5.080 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.305 4.849 -6.502 1.00 0.00 H new ATOM 1658 N ARG A 106 7.716 0.439 -6.688 1.00 0.00 N ATOM 1659 CA ARG A 106 7.989 -1.001 -6.581 1.00 0.00 C ATOM 1660 C ARG A 106 6.683 -1.777 -6.434 1.00 0.00 C ATOM 1661 O ARG A 106 6.416 -2.703 -7.190 1.00 0.00 O ATOM 1662 CB ARG A 106 8.864 -1.319 -5.354 1.00 0.00 C ATOM 1663 CG ARG A 106 10.220 -0.649 -5.306 1.00 0.00 C ATOM 1664 CD ARG A 106 10.759 -0.676 -3.877 1.00 0.00 C ATOM 1665 NE ARG A 106 12.154 -1.151 -3.775 1.00 0.00 N ATOM 1666 CZ ARG A 106 12.550 -2.442 -3.886 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.721 -3.356 -4.376 1.00 0.00 N ATOM 1668 NH2 ARG A 106 13.788 -2.790 -3.565 1.00 0.00 N ATOM 0 H ARG A 106 8.218 1.008 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 106 8.514 -1.295 -7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.311 -1.038 -4.458 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.014 -2.398 -5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.912 -1.160 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.140 0.380 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.695 0.327 -3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.121 -1.318 -3.270 1.00 0.00 H new ATOM 0 HE ARG A 106 12.877 -0.451 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.782 -3.087 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.023 -4.327 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.446 -2.085 -3.233 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.083 -3.763 -3.650 1.00 0.00 H new ATOM 1682 N LEU A 107 5.871 -1.379 -5.446 1.00 0.00 N ATOM 1683 CA LEU A 107 4.590 -2.037 -5.158 1.00 0.00 C ATOM 1684 C LEU A 107 3.761 -2.225 -6.422 1.00 0.00 C ATOM 1685 O LEU A 107 3.195 -3.306 -6.657 1.00 0.00 O ATOM 1686 CB LEU A 107 3.790 -1.220 -4.129 1.00 0.00 C ATOM 1687 CG LEU A 107 2.624 -1.942 -3.461 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.125 -3.041 -2.558 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.763 -0.970 -2.682 1.00 0.00 C ATOM 0 H LEU A 107 6.082 -0.596 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 107 4.811 -3.022 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.475 -0.882 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.404 -0.329 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 107 2.012 -2.390 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.278 -3.543 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.696 -3.761 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.764 -2.614 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.938 -1.508 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.365 -0.488 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.366 -0.213 -3.358 1.00 0.00 H new ATOM 1701 N PHE A 108 3.710 -1.191 -7.247 1.00 0.00 N ATOM 1702 CA PHE A 108 2.953 -1.242 -8.476 1.00 0.00 C ATOM 1703 C PHE A 108 3.552 -2.229 -9.432 1.00 0.00 C ATOM 1704 O PHE A 108 2.824 -3.011 -10.016 1.00 0.00 O ATOM 1705 CB PHE A 108 2.781 0.145 -9.104 1.00 0.00 C ATOM 1706 CG PHE A 108 1.607 0.881 -8.521 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.664 1.375 -7.235 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.442 1.050 -9.243 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.596 2.020 -6.675 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.640 1.702 -8.688 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.561 2.186 -7.401 1.00 0.00 C ATOM 0 H PHE A 108 4.188 -0.305 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 108 1.949 -1.591 -8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.689 0.729 -8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.647 0.042 -10.181 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.569 1.250 -6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.377 0.668 -10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.661 2.398 -5.665 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.546 1.832 -9.261 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.406 2.695 -6.962 1.00 0.00 H new ATOM 1721 N ARG A 109 4.893 -2.285 -9.497 1.00 0.00 N ATOM 1722 CA ARG A 109 5.574 -3.295 -10.319 1.00 0.00 C ATOM 1723 C ARG A 109 4.990 -4.673 -10.018 1.00 0.00 C ATOM 1724 O ARG A 109 4.601 -5.411 -10.945 1.00 0.00 O ATOM 1725 CB ARG A 109 7.102 -3.307 -10.090 1.00 0.00 C ATOM 1726 CG ARG A 109 7.757 -1.931 -9.993 1.00 0.00 C ATOM 1727 CD ARG A 109 7.498 -1.075 -11.235 1.00 0.00 C ATOM 1728 NE ARG A 109 6.427 -0.083 -11.013 1.00 0.00 N ATOM 1729 CZ ARG A 109 5.712 0.518 -11.995 1.00 0.00 C ATOM 1730 NH1 ARG A 109 5.965 0.232 -13.277 1.00 0.00 N ATOM 1731 NH2 ARG A 109 4.768 1.411 -11.680 1.00 0.00 N ATOM 0 H ARG A 109 5.518 -1.652 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 109 5.409 -3.037 -11.365 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.311 -3.856 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.571 -3.858 -10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.379 -1.412 -9.112 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.832 -2.052 -9.855 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.416 -0.560 -11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.226 -1.721 -12.070 1.00 0.00 H new ATOM 0 HE ARG A 109 6.209 0.169 -10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.696 -0.438 -13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.427 0.684 -14.016 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.587 1.639 -10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.229 1.865 -12.417 1.00 0.00 H new ATOM 1745 N LEU A 110 4.829 -4.984 -8.725 1.00 0.00 N ATOM 1746 CA LEU A 110 4.226 -6.192 -8.313 1.00 0.00 C ATOM 1747 C LEU A 110 2.748 -6.231 -8.732 1.00 0.00 C ATOM 1748 O LEU A 110 2.304 -7.185 -9.410 1.00 0.00 O ATOM 1749 CB LEU A 110 4.374 -6.313 -6.810 1.00 0.00 C ATOM 1750 CG LEU A 110 5.805 -6.578 -6.350 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.529 -5.305 -6.111 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.893 -7.478 -5.142 1.00 0.00 C ATOM 0 H LEU A 110 5.125 -4.382 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 110 4.718 -7.037 -8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.017 -5.394 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.733 -7.120 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 110 6.288 -7.116 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.546 -5.521 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.560 -4.725 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.014 -4.733 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.939 -7.623 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.362 -7.020 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.441 -8.443 -5.373 1.00 0.00 H new ATOM 1764 N PHE A 111 1.996 -5.182 -8.346 1.00 0.00 N ATOM 1765 CA PHE A 111 0.555 -5.064 -8.657 1.00 0.00 C ATOM 1766 C PHE A 111 0.228 -5.002 -10.159 1.00 0.00 C ATOM 1767 O PHE A 111 -0.935 -5.235 -10.541 1.00 0.00 O ATOM 1768 CB PHE A 111 -0.090 -3.899 -7.909 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.403 -4.224 -6.478 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.288 -5.242 -6.157 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.191 -3.521 -5.453 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.566 -5.545 -4.848 1.00 0.00 C ATOM 1773 CE2 PHE A 111 -0.084 -3.822 -4.137 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.964 -4.836 -3.833 1.00 0.00 C ATOM 0 H PHE A 111 2.366 -4.395 -7.812 1.00 0.00 H new ATOM 0 HA PHE A 111 0.117 -5.997 -8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.578 -3.038 -7.943 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.009 -3.610 -8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.764 -5.803 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.881 -2.723 -5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.258 -6.341 -4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.391 -3.263 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.181 -5.074 -2.802 1.00 0.00 H new ATOM 1784 N SER A 112 1.223 -4.767 -11.025 1.00 0.00 N ATOM 1785 CA SER A 112 0.968 -4.796 -12.474 1.00 0.00 C ATOM 1786 C SER A 112 0.763 -6.245 -12.917 1.00 0.00 C ATOM 1787 O SER A 112 0.108 -6.503 -13.934 1.00 0.00 O ATOM 1788 CB SER A 112 2.119 -4.168 -13.292 1.00 0.00 C ATOM 1789 OG SER A 112 3.236 -3.810 -12.477 1.00 0.00 O ATOM 0 H SER A 112 2.186 -4.560 -10.760 1.00 0.00 H new ATOM 0 HA SER A 112 0.074 -4.201 -12.663 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.443 -4.873 -14.058 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.752 -3.282 -13.809 1.00 0.00 H new ATOM 0 HG SER A 112 3.744 -4.616 -12.246 1.00 0.00 H new ATOM 1795 N GLY A 113 1.210 -7.198 -12.078 1.00 0.00 N ATOM 1796 CA GLY A 113 0.982 -8.583 -12.355 1.00 0.00 C ATOM 1797 C GLY A 113 2.219 -9.443 -12.301 1.00 0.00 C ATOM 1798 O GLY A 113 2.265 -10.461 -12.989 1.00 0.00 O ATOM 0 H GLY A 113 1.724 -7.013 -11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.255 -8.969 -11.640 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.535 -8.674 -13.345 1.00 0.00 H new ATOM 1802 N GLU A 114 3.169 -9.130 -11.385 1.00 0.00 N ATOM 1803 CA GLU A 114 4.332 -10.008 -11.182 1.00 0.00 C ATOM 1804 C GLU A 114 3.809 -11.395 -10.839 1.00 0.00 C ATOM 1805 O GLU A 114 3.885 -12.320 -11.641 1.00 0.00 O ATOM 1806 CB GLU A 114 5.218 -9.500 -10.030 1.00 0.00 C ATOM 1807 CG GLU A 114 6.091 -8.308 -10.385 1.00 0.00 C ATOM 1808 CD GLU A 114 7.291 -8.711 -11.167 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.150 -9.399 -10.615 1.00 0.00 O ATOM 1810 OE2 GLU A 114 7.374 -8.361 -12.341 1.00 0.00 O ATOM 0 H GLU A 114 3.150 -8.299 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 114 4.938 -10.024 -12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.579 -9.229 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.858 -10.316 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.507 -7.589 -10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.406 -7.804 -9.471 1.00 0.00 H new ATOM 1817 N TYR A 115 3.140 -11.478 -9.694 1.00 0.00 N ATOM 1818 CA TYR A 115 2.462 -12.697 -9.295 1.00 0.00 C ATOM 1819 C TYR A 115 1.048 -12.699 -9.870 1.00 0.00 C ATOM 1820 O TYR A 115 0.549 -13.723 -10.288 1.00 0.00 O ATOM 1821 CB TYR A 115 2.356 -12.869 -7.750 1.00 0.00 C ATOM 1822 CG TYR A 115 3.435 -12.216 -6.894 1.00 0.00 C ATOM 1823 CD1 TYR A 115 3.507 -10.834 -6.742 1.00 0.00 C ATOM 1824 CD2 TYR A 115 4.354 -12.992 -6.213 1.00 0.00 C ATOM 1825 CE1 TYR A 115 4.465 -10.259 -5.947 1.00 0.00 C ATOM 1826 CE2 TYR A 115 5.312 -12.423 -5.406 1.00 0.00 C ATOM 1827 CZ TYR A 115 5.367 -11.059 -5.278 1.00 0.00 C ATOM 1828 OH TYR A 115 6.307 -10.491 -4.465 1.00 0.00 O ATOM 0 H TYR A 115 3.055 -10.711 -9.027 1.00 0.00 H new ATOM 0 HA TYR A 115 3.060 -13.523 -9.680 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.391 -12.475 -7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.352 -13.937 -7.530 1.00 0.00 H new ATOM 0 HD1 TYR A 115 2.797 -10.205 -7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.319 -14.066 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 115 4.513 -9.185 -5.845 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.017 -13.047 -4.876 1.00 0.00 H new ATOM 0 HH TYR A 115 7.161 -10.960 -4.575 1.00 0.00 H new ATOM 1838 N ILE A 116 0.372 -11.538 -9.782 1.00 0.00 N ATOM 1839 CA ILE A 116 -1.038 -11.414 -10.176 1.00 0.00 C ATOM 1840 C ILE A 116 -1.369 -12.139 -11.484 1.00 0.00 C ATOM 1841 O ILE A 116 -2.185 -13.037 -11.479 1.00 0.00 O ATOM 1842 CB ILE A 116 -1.545 -9.929 -10.265 1.00 0.00 C ATOM 1843 CG1 ILE A 116 -0.867 -9.003 -9.232 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -3.051 -9.883 -10.078 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -1.086 -9.429 -7.796 1.00 0.00 C ATOM 0 H ILE A 116 0.785 -10.671 -9.439 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.572 -11.905 -9.362 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.276 -9.562 -11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.204 -8.972 -9.433 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -1.245 -7.989 -9.363 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.394 -8.850 -10.141 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -3.533 -10.474 -10.857 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -3.309 -10.292 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.580 -8.731 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -2.154 -9.433 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.682 -10.430 -7.648 1.00 0.00 H new ATOM 1857 N SER A 117 -0.739 -11.756 -12.591 1.00 0.00 N ATOM 1858 CA SER A 117 -1.047 -12.384 -13.885 1.00 0.00 C ATOM 1859 C SER A 117 -0.895 -13.917 -13.856 1.00 0.00 C ATOM 1860 O SER A 117 -1.777 -14.634 -14.344 1.00 0.00 O ATOM 1861 CB SER A 117 -0.242 -11.762 -15.031 1.00 0.00 C ATOM 1862 OG SER A 117 0.363 -10.509 -14.648 1.00 0.00 O ATOM 0 H SER A 117 -0.025 -11.029 -12.626 1.00 0.00 H new ATOM 0 HA SER A 117 -2.100 -12.179 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.535 -12.458 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.896 -11.602 -15.888 1.00 0.00 H new ATOM 0 HG SER A 117 1.276 -10.670 -14.330 1.00 0.00 H new