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 101 GLN : amide:sc= -0.212 K(o=2.3,f=-8.4!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 176:sc= 2.51 (180deg=1.87) USER MOD Set 2.1: A 89 SER OG : rot 25:sc= 1.19 USER MOD Set 2.2: A 93 ASN : amide:sc= -0.0977 X(o=1.1,f=0.97) USER MOD Set 3.1: A 61 SER OG : rot 170:sc= 0.838 USER MOD Set 3.2: A 65 LYS NZ :NH3+ 138:sc= 0.273 (180deg=-0.479) USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.0609 USER MOD Set 4.2: A 38 ASN : amide:sc= -0.35 K(o=-0.29,f=-1.9) USER MOD Single : A 7 LYS NZ :NH3+ -159:sc= -0.435 (180deg=-1.25!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 13 GLN : amide:sc= 0.0477 X(o=0.048,f=-0.007) USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= 1.14 (180deg=-0.108) USER MOD Single : A 18 CYS SG : rot 75:sc= 0.192 USER MOD Single : A 20 SER OG : rot 93:sc= 1.26 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 87:sc= 1.25 USER MOD Single : A 42 SER OG : rot -109:sc= -0.671! USER MOD Single : A 45 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.4!) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.338 F(o=-1.1,f=-0.34) USER MOD Single : A 49 ASN : amide:sc= -4.37! C(o=-4.4!,f=-5.1!) USER MOD Single : A 54 HIS : no HE2:sc= -0.322 K(o=-0.32,f=-2.2!) USER MOD Single : A 57 SER OG : rot 72:sc= 0.998 USER MOD Single : A 60 MET CE :methyl 164:sc= -4.86! (180deg=-5.7!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.05) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 158:sc= 0.118 USER MOD Single : A 79 TYR OH : rot -168:sc= -0.153 USER MOD Single : A 83 THR OG1 : rot 78:sc= -0.498! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 84:sc= 1.29 USER MOD Single : A 88 SER OG : rot 84:sc= 1.2 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.769 K(o=-0.77,f=-2.1!) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc=-0.00832 (180deg=-0.354) USER MOD Single : A 103 THR OG1 : rot 68:sc= 0.993 USER MOD Single : A 112 SER OG : rot 55:sc= 1.13 USER MOD Single : A 115 TYR OH : rot 106:sc= 1.23 USER MOD Single : A 117 SER OG : rot 79:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 91 N LYS A 7 -8.737 -15.859 -3.691 1.00 0.00 N ATOM 92 CA LYS A 7 -7.366 -15.290 -3.720 1.00 0.00 C ATOM 93 C LYS A 7 -7.246 -14.156 -4.745 1.00 0.00 C ATOM 94 O LYS A 7 -6.743 -13.084 -4.426 1.00 0.00 O ATOM 95 CB LYS A 7 -6.315 -16.372 -4.012 1.00 0.00 C ATOM 96 CG LYS A 7 -6.074 -17.338 -2.852 1.00 0.00 C ATOM 97 CD LYS A 7 -5.166 -18.500 -3.265 1.00 0.00 C ATOM 98 CE LYS A 7 -5.959 -19.703 -3.785 1.00 0.00 C ATOM 99 NZ LYS A 7 -7.085 -20.068 -2.888 1.00 0.00 N ATOM 0 HA LYS A 7 -7.176 -14.879 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.630 -16.942 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.373 -15.888 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.622 -16.801 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.028 -17.729 -2.499 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.476 -18.162 -4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.562 -18.808 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.347 -19.477 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.290 -20.557 -3.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.363 -21.055 -3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.787 -19.963 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.894 -19.442 -3.074 1.00 0.00 H new ATOM 113 N ARG A 8 -7.746 -14.393 -5.969 1.00 0.00 N ATOM 114 CA ARG A 8 -7.731 -13.374 -7.035 1.00 0.00 C ATOM 115 C ARG A 8 -8.295 -12.035 -6.528 1.00 0.00 C ATOM 116 O ARG A 8 -7.649 -10.984 -6.668 1.00 0.00 O ATOM 117 CB ARG A 8 -8.536 -13.859 -8.248 1.00 0.00 C ATOM 118 CG ARG A 8 -8.401 -12.984 -9.485 1.00 0.00 C ATOM 119 CD ARG A 8 -9.502 -13.293 -10.486 1.00 0.00 C ATOM 120 NE ARG A 8 -8.997 -13.961 -11.697 1.00 0.00 N ATOM 121 CZ ARG A 8 -8.839 -13.361 -12.905 1.00 0.00 C ATOM 122 NH1 ARG A 8 -9.013 -12.031 -13.033 1.00 0.00 N ATOM 123 NH2 ARG A 8 -8.486 -14.088 -13.959 1.00 0.00 N ATOM 0 H ARG A 8 -8.166 -15.280 -6.246 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.695 -13.217 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.218 -14.871 -8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.589 -13.915 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.447 -11.933 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.427 -13.147 -9.947 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.251 -13.927 -10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.001 -12.366 -10.769 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.747 -14.947 -11.623 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.265 -11.469 -12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.893 -11.586 -13.943 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.335 -15.092 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.366 -13.643 -14.869 1.00 0.00 H new ATOM 137 N HIS A 9 -9.477 -12.090 -5.903 1.00 0.00 N ATOM 138 CA HIS A 9 -10.115 -10.895 -5.337 1.00 0.00 C ATOM 139 C HIS A 9 -9.277 -10.318 -4.217 1.00 0.00 C ATOM 140 O HIS A 9 -9.064 -9.110 -4.168 1.00 0.00 O ATOM 141 CB HIS A 9 -11.530 -11.194 -4.837 1.00 0.00 C ATOM 142 CG HIS A 9 -12.581 -10.844 -5.831 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.509 -9.848 -5.630 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.839 -11.353 -7.056 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.291 -9.761 -6.687 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.907 -10.663 -7.568 1.00 0.00 N ATOM 0 H HIS A 9 -10.011 -12.949 -5.776 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.190 -10.158 -6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.607 -12.253 -4.592 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.709 -10.640 -3.916 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.303 -12.155 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.109 -9.067 -6.811 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.334 -10.821 -8.481 1.00 0.00 H new ATOM 155 N ASP A 10 -8.762 -11.188 -3.336 1.00 0.00 N ATOM 156 CA ASP A 10 -7.880 -10.742 -2.242 1.00 0.00 C ATOM 157 C ASP A 10 -6.709 -9.951 -2.823 1.00 0.00 C ATOM 158 O ASP A 10 -6.425 -8.830 -2.380 1.00 0.00 O ATOM 159 CB ASP A 10 -7.365 -11.939 -1.416 1.00 0.00 C ATOM 160 CG ASP A 10 -8.131 -12.138 -0.148 1.00 0.00 C ATOM 161 OD1 ASP A 10 -9.283 -12.573 -0.210 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.596 -11.852 0.912 1.00 0.00 O ATOM 0 H ASP A 10 -8.937 -12.193 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.453 -10.102 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.427 -12.845 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.312 -11.785 -1.179 1.00 0.00 H new ATOM 167 N VAL A 11 -6.076 -10.508 -3.870 1.00 0.00 N ATOM 168 CA VAL A 11 -4.990 -9.818 -4.574 1.00 0.00 C ATOM 169 C VAL A 11 -5.504 -8.478 -5.126 1.00 0.00 C ATOM 170 O VAL A 11 -4.941 -7.411 -4.817 1.00 0.00 O ATOM 171 CB VAL A 11 -4.396 -10.664 -5.751 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.079 -10.073 -6.235 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.200 -12.125 -5.357 1.00 0.00 C ATOM 0 H VAL A 11 -6.299 -11.431 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.191 -9.658 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.119 -10.630 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.687 -10.678 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.244 -9.054 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.361 -10.063 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.786 -12.677 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.513 -12.185 -4.513 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.160 -12.558 -5.076 1.00 0.00 H new ATOM 183 N ALA A 12 -6.608 -8.535 -5.905 1.00 0.00 N ATOM 184 CA ALA A 12 -7.236 -7.323 -6.457 1.00 0.00 C ATOM 185 C ALA A 12 -7.448 -6.298 -5.349 1.00 0.00 C ATOM 186 O ALA A 12 -6.978 -5.165 -5.450 1.00 0.00 O ATOM 187 CB ALA A 12 -8.564 -7.652 -7.145 1.00 0.00 C ATOM 0 H ALA A 12 -7.077 -9.404 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.568 -6.902 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.004 -6.738 -7.543 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.387 -8.354 -7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.247 -8.099 -6.423 1.00 0.00 H new ATOM 193 N GLN A 13 -8.104 -6.730 -4.265 1.00 0.00 N ATOM 194 CA GLN A 13 -8.327 -5.897 -3.091 1.00 0.00 C ATOM 195 C GLN A 13 -7.027 -5.261 -2.617 1.00 0.00 C ATOM 196 O GLN A 13 -6.955 -4.044 -2.472 1.00 0.00 O ATOM 197 CB GLN A 13 -8.939 -6.732 -1.967 1.00 0.00 C ATOM 198 CG GLN A 13 -10.456 -6.775 -1.992 1.00 0.00 C ATOM 199 CD GLN A 13 -11.077 -6.233 -0.716 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.943 -5.355 -0.757 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.635 -6.726 0.423 1.00 0.00 N ATOM 0 H GLN A 13 -8.493 -7.669 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.017 -5.099 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.555 -7.750 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.612 -6.329 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.818 -6.197 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.784 -7.803 -2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.918 -7.451 0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.010 -6.382 1.307 1.00 0.00 H new ATOM 210 N LEU A 14 -5.988 -6.089 -2.417 1.00 0.00 N ATOM 211 CA LEU A 14 -4.671 -5.589 -1.995 1.00 0.00 C ATOM 212 C LEU A 14 -4.208 -4.470 -2.933 1.00 0.00 C ATOM 213 O LEU A 14 -3.819 -3.378 -2.475 1.00 0.00 O ATOM 214 CB LEU A 14 -3.629 -6.732 -1.949 1.00 0.00 C ATOM 215 CG LEU A 14 -2.483 -6.612 -0.910 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.836 -5.660 0.228 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.120 -7.981 -0.359 1.00 0.00 C ATOM 0 H LEU A 14 -6.035 -7.100 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.764 -5.185 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.160 -7.665 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.179 -6.818 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.620 -6.194 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.004 -5.608 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.032 -4.667 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.724 -6.024 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.315 -7.879 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.992 -8.421 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.793 -8.626 -1.174 1.00 0.00 H new ATOM 229 N LYS A 15 -4.328 -4.719 -4.248 1.00 0.00 N ATOM 230 CA LYS A 15 -4.002 -3.714 -5.258 1.00 0.00 C ATOM 231 C LYS A 15 -4.856 -2.464 -5.041 1.00 0.00 C ATOM 232 O LYS A 15 -4.319 -1.365 -4.847 1.00 0.00 O ATOM 233 CB LYS A 15 -4.220 -4.278 -6.688 1.00 0.00 C ATOM 234 CG LYS A 15 -4.027 -3.266 -7.824 1.00 0.00 C ATOM 235 CD LYS A 15 -2.657 -2.588 -7.760 1.00 0.00 C ATOM 236 CE LYS A 15 -1.993 -2.523 -9.135 1.00 0.00 C ATOM 237 NZ LYS A 15 -2.883 -1.955 -10.186 1.00 0.00 N ATOM 0 H LYS A 15 -4.649 -5.609 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.950 -3.447 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.532 -5.109 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.230 -4.684 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.137 -3.772 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.809 -2.509 -7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.768 -1.579 -7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.013 -3.134 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.089 -1.918 -9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.685 -3.526 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.304 -1.546 -10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.485 -2.708 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.482 -1.214 -9.770 1.00 0.00 H new ATOM 251 N PHE A 16 -6.184 -2.643 -5.051 1.00 0.00 N ATOM 252 CA PHE A 16 -7.129 -1.535 -4.845 1.00 0.00 C ATOM 253 C PHE A 16 -6.798 -0.743 -3.585 1.00 0.00 C ATOM 254 O PHE A 16 -6.823 0.498 -3.604 1.00 0.00 O ATOM 255 CB PHE A 16 -8.578 -2.037 -4.795 1.00 0.00 C ATOM 256 CG PHE A 16 -9.050 -2.674 -6.078 1.00 0.00 C ATOM 257 CD1 PHE A 16 -8.887 -2.028 -7.296 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.657 -3.919 -6.068 1.00 0.00 C ATOM 259 CE1 PHE A 16 -9.320 -2.610 -8.466 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.092 -4.503 -7.235 1.00 0.00 C ATOM 261 CZ PHE A 16 -9.922 -3.851 -8.436 1.00 0.00 C ATOM 0 H PHE A 16 -6.630 -3.548 -5.200 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.028 -0.867 -5.701 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.674 -2.760 -3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.234 -1.200 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.415 -1.057 -7.326 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.791 -4.439 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.189 -2.096 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.567 -5.473 -7.209 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.259 -4.311 -9.353 1.00 0.00 H new ATOM 271 N LEU A 17 -6.458 -1.441 -2.496 1.00 0.00 N ATOM 272 CA LEU A 17 -6.069 -0.766 -1.256 1.00 0.00 C ATOM 273 C LEU A 17 -4.823 0.088 -1.511 1.00 0.00 C ATOM 274 O LEU A 17 -4.815 1.298 -1.227 1.00 0.00 O ATOM 275 CB LEU A 17 -5.787 -1.774 -0.125 1.00 0.00 C ATOM 276 CG LEU A 17 -6.933 -2.732 0.259 1.00 0.00 C ATOM 277 CD1 LEU A 17 -6.385 -4.053 0.778 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.844 -2.105 1.301 1.00 0.00 C ATOM 0 H LEU A 17 -6.444 -2.460 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.898 -0.133 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.925 -2.375 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.501 -1.214 0.765 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.516 -2.924 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.212 -4.712 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.779 -4.524 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.771 -3.871 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.643 -2.803 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.268 -1.875 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.276 -1.187 0.902 1.00 0.00 H new ATOM 290 N CYS A 18 -3.791 -0.533 -2.116 1.00 0.00 N ATOM 291 CA CYS A 18 -2.552 0.174 -2.475 1.00 0.00 C ATOM 292 C CYS A 18 -2.860 1.376 -3.373 1.00 0.00 C ATOM 293 O CYS A 18 -2.383 2.499 -3.110 1.00 0.00 O ATOM 294 CB CYS A 18 -1.565 -0.772 -3.184 1.00 0.00 C ATOM 295 SG CYS A 18 -0.873 -2.066 -2.121 1.00 0.00 S ATOM 0 H CYS A 18 -3.794 -1.522 -2.365 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.090 0.530 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.073 -1.243 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.747 -0.181 -3.596 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.771 -2.982 -1.911 1.00 0.00 H new ATOM 301 N GLU A 19 -3.667 1.135 -4.420 1.00 0.00 N ATOM 302 CA GLU A 19 -4.083 2.177 -5.361 1.00 0.00 C ATOM 303 C GLU A 19 -4.793 3.309 -4.630 1.00 0.00 C ATOM 304 O GLU A 19 -4.387 4.475 -4.735 1.00 0.00 O ATOM 305 CB GLU A 19 -5.018 1.599 -6.433 1.00 0.00 C ATOM 306 CG GLU A 19 -4.360 0.584 -7.372 1.00 0.00 C ATOM 307 CD GLU A 19 -4.996 0.529 -8.736 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.606 1.516 -9.161 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.860 -0.495 -9.400 1.00 0.00 O ATOM 0 H GLU A 19 -4.046 0.213 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.186 2.568 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.865 1.122 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.418 2.420 -7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.304 0.833 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.409 -0.405 -6.917 1.00 0.00 H new ATOM 316 N SER A 20 -5.848 2.962 -3.892 1.00 0.00 N ATOM 317 CA SER A 20 -6.623 3.943 -3.133 1.00 0.00 C ATOM 318 C SER A 20 -5.713 4.780 -2.240 1.00 0.00 C ATOM 319 O SER A 20 -5.782 6.013 -2.260 1.00 0.00 O ATOM 320 CB SER A 20 -7.710 3.255 -2.304 1.00 0.00 C ATOM 321 OG SER A 20 -8.498 2.370 -3.119 1.00 0.00 O ATOM 0 H SER A 20 -6.186 2.004 -3.804 1.00 0.00 H new ATOM 0 HA SER A 20 -7.110 4.611 -3.844 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.251 2.693 -1.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.355 4.006 -1.848 1.00 0.00 H new ATOM 0 HG SER A 20 -8.123 1.465 -3.076 1.00 0.00 H new ATOM 327 N LEU A 21 -4.817 4.114 -1.494 1.00 0.00 N ATOM 328 CA LEU A 21 -3.870 4.835 -0.643 1.00 0.00 C ATOM 329 C LEU A 21 -3.035 5.801 -1.464 1.00 0.00 C ATOM 330 O LEU A 21 -2.865 6.959 -1.077 1.00 0.00 O ATOM 331 CB LEU A 21 -2.961 3.891 0.139 1.00 0.00 C ATOM 332 CG LEU A 21 -1.894 4.580 1.003 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.279 4.569 2.467 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.536 3.938 0.788 1.00 0.00 C ATOM 0 H LEU A 21 -4.732 3.098 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.461 5.398 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.580 3.266 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.462 3.226 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.830 5.622 0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.503 5.064 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.224 5.096 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.387 3.539 2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.206 4.440 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.584 2.884 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.253 4.028 -0.261 1.00 0.00 H new ATOM 346 N TYR A 22 -2.518 5.330 -2.600 1.00 0.00 N ATOM 347 CA TYR A 22 -1.724 6.187 -3.475 1.00 0.00 C ATOM 348 C TYR A 22 -2.537 7.415 -3.897 1.00 0.00 C ATOM 349 O TYR A 22 -2.013 8.541 -3.901 1.00 0.00 O ATOM 350 CB TYR A 22 -1.219 5.421 -4.719 1.00 0.00 C ATOM 351 CG TYR A 22 -0.473 6.293 -5.715 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.525 7.162 -5.295 1.00 0.00 C ATOM 353 CD2 TYR A 22 -0.775 6.252 -7.066 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.196 7.959 -6.188 1.00 0.00 C ATOM 355 CE2 TYR A 22 -0.105 7.049 -7.968 1.00 0.00 C ATOM 356 CZ TYR A 22 0.879 7.903 -7.524 1.00 0.00 C ATOM 357 OH TYR A 22 1.556 8.705 -8.415 1.00 0.00 O ATOM 0 H TYR A 22 -2.634 4.372 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.850 6.516 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.563 4.613 -4.395 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.070 4.959 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.778 7.212 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.548 5.585 -7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.970 8.628 -5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.351 7.004 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 22 1.216 8.547 -9.321 1.00 0.00 H new ATOM 367 N ASP A 23 -3.838 7.202 -4.184 1.00 0.00 N ATOM 368 CA ASP A 23 -4.733 8.306 -4.560 1.00 0.00 C ATOM 369 C ASP A 23 -4.831 9.301 -3.430 1.00 0.00 C ATOM 370 O ASP A 23 -4.498 10.491 -3.607 1.00 0.00 O ATOM 371 CB ASP A 23 -6.133 7.807 -4.933 1.00 0.00 C ATOM 372 CG ASP A 23 -6.948 8.884 -5.565 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.648 9.258 -6.701 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.874 9.378 -4.932 1.00 0.00 O ATOM 0 H ASP A 23 -4.284 6.285 -4.162 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.306 8.788 -5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.049 6.964 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.640 7.442 -4.040 1.00 0.00 H new ATOM 379 N GLU A 24 -5.227 8.799 -2.244 1.00 0.00 N ATOM 380 CA GLU A 24 -5.295 9.620 -1.034 1.00 0.00 C ATOM 381 C GLU A 24 -3.969 10.328 -0.830 1.00 0.00 C ATOM 382 O GLU A 24 -3.926 11.544 -0.650 1.00 0.00 O ATOM 383 CB GLU A 24 -5.592 8.755 0.201 1.00 0.00 C ATOM 384 CG GLU A 24 -6.969 8.113 0.213 1.00 0.00 C ATOM 385 CD GLU A 24 -8.065 9.123 0.261 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.082 9.947 1.172 1.00 0.00 O ATOM 387 OE2 GLU A 24 -8.905 9.117 -0.629 1.00 0.00 O ATOM 0 H GLU A 24 -5.504 7.827 -2.105 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.099 10.346 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.840 7.969 0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.486 9.372 1.093 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.087 7.495 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.051 7.450 1.075 1.00 0.00 H new ATOM 394 N GLY A 25 -2.884 9.554 -0.888 1.00 0.00 N ATOM 395 CA GLY A 25 -1.559 10.096 -0.736 1.00 0.00 C ATOM 396 C GLY A 25 -1.299 11.253 -1.657 1.00 0.00 C ATOM 397 O GLY A 25 -0.986 12.325 -1.190 1.00 0.00 O ATOM 0 H GLY A 25 -2.912 8.546 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.419 10.419 0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.826 9.312 -0.927 1.00 0.00 H new ATOM 401 N ILE A 26 -1.468 11.061 -2.965 1.00 0.00 N ATOM 402 CA ILE A 26 -1.266 12.167 -3.913 1.00 0.00 C ATOM 403 C ILE A 26 -2.180 13.353 -3.576 1.00 0.00 C ATOM 404 O ILE A 26 -1.750 14.510 -3.644 1.00 0.00 O ATOM 405 CB ILE A 26 -1.452 11.720 -5.401 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.388 10.691 -5.765 1.00 0.00 C ATOM 407 CG2 ILE A 26 -1.350 12.910 -6.356 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.025 11.210 -5.585 1.00 0.00 C ATOM 0 H ILE A 26 -1.738 10.174 -3.390 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.230 12.489 -3.808 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.446 11.283 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.524 9.802 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.527 10.384 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.484 12.566 -7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.124 13.638 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.370 13.375 -6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.736 10.431 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.176 12.081 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.180 11.491 -4.543 1.00 0.00 H new ATOM 420 N ALA A 27 -3.420 13.062 -3.175 1.00 0.00 N ATOM 421 CA ALA A 27 -4.366 14.106 -2.795 1.00 0.00 C ATOM 422 C ALA A 27 -3.916 14.835 -1.522 1.00 0.00 C ATOM 423 O ALA A 27 -3.974 16.067 -1.464 1.00 0.00 O ATOM 424 CB ALA A 27 -5.769 13.533 -2.611 1.00 0.00 C ATOM 0 H ALA A 27 -3.789 12.113 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.393 14.832 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.454 14.332 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.103 13.082 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.753 12.775 -1.828 1.00 0.00 H new ATOM 430 N THR A 28 -3.532 14.080 -0.486 1.00 0.00 N ATOM 431 CA THR A 28 -3.128 14.690 0.784 1.00 0.00 C ATOM 432 C THR A 28 -1.640 15.114 0.805 1.00 0.00 C ATOM 433 O THR A 28 -1.312 16.226 1.231 1.00 0.00 O ATOM 434 CB THR A 28 -3.518 13.797 2.003 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.112 14.363 3.246 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.974 12.393 1.945 1.00 0.00 C ATOM 0 H THR A 28 -3.493 13.061 -0.501 1.00 0.00 H new ATOM 0 HA THR A 28 -3.694 15.617 0.877 1.00 0.00 H new ATOM 0 HB THR A 28 -4.605 13.751 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.379 13.769 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.293 11.842 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.350 11.894 1.052 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.885 12.426 1.911 1.00 0.00 H new ATOM 444 N LEU A 29 -0.740 14.213 0.401 1.00 0.00 N ATOM 445 CA LEU A 29 0.704 14.473 0.437 1.00 0.00 C ATOM 446 C LEU A 29 1.153 15.348 -0.732 1.00 0.00 C ATOM 447 O LEU A 29 2.170 16.054 -0.628 1.00 0.00 O ATOM 448 CB LEU A 29 1.487 13.146 0.373 1.00 0.00 C ATOM 449 CG LEU A 29 1.063 12.045 1.364 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.328 10.667 0.787 1.00 0.00 C ATOM 451 CD2 LEU A 29 1.785 12.203 2.688 1.00 0.00 C ATOM 0 H LEU A 29 -0.987 13.291 0.043 1.00 0.00 H new ATOM 0 HA LEU A 29 0.909 14.996 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.399 12.747 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.542 13.365 0.538 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.008 12.148 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.021 9.907 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.762 10.544 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.392 10.559 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.469 11.414 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.861 12.134 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.545 13.175 3.120 1.00 0.00 H new ATOM 576 N ASN A 38 1.140 18.224 6.863 1.00 0.00 N ATOM 577 CA ASN A 38 0.029 17.314 6.663 1.00 0.00 C ATOM 578 C ASN A 38 -0.604 16.970 7.987 1.00 0.00 C ATOM 579 O ASN A 38 0.002 16.309 8.835 1.00 0.00 O ATOM 580 CB ASN A 38 0.459 16.062 5.902 1.00 0.00 C ATOM 581 CG ASN A 38 0.370 16.287 4.409 1.00 0.00 C ATOM 582 OD1 ASN A 38 1.263 16.890 3.806 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.695 15.833 3.799 1.00 0.00 N ATOM 0 HA ASN A 38 -0.718 17.814 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.481 15.798 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.174 15.222 6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.806 15.973 2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.414 15.339 4.328 1.00 0.00 H new ATOM 590 N ASP A 39 -1.807 17.506 8.190 1.00 0.00 N ATOM 591 CA ASP A 39 -2.541 17.354 9.443 1.00 0.00 C ATOM 592 C ASP A 39 -2.906 15.900 9.712 1.00 0.00 C ATOM 593 O ASP A 39 -3.724 15.328 8.986 1.00 0.00 O ATOM 594 CB ASP A 39 -3.827 18.217 9.421 1.00 0.00 C ATOM 595 CG ASP A 39 -4.722 17.994 10.600 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.213 17.800 11.716 1.00 0.00 O ATOM 597 OD2 ASP A 39 -5.934 18.032 10.427 1.00 0.00 O ATOM 0 H ASP A 39 -2.300 18.059 7.488 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.886 17.693 10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.547 19.270 9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.383 18.002 8.508 1.00 0.00 H new ATOM 602 N PRO A 40 -2.362 15.290 10.791 1.00 0.00 N ATOM 603 CA PRO A 40 -2.714 13.910 11.184 1.00 0.00 C ATOM 604 C PRO A 40 -4.224 13.751 11.466 1.00 0.00 C ATOM 605 O PRO A 40 -4.771 12.653 11.329 1.00 0.00 O ATOM 606 CB PRO A 40 -1.912 13.680 12.473 1.00 0.00 C ATOM 607 CG PRO A 40 -0.832 14.708 12.454 1.00 0.00 C ATOM 608 CD PRO A 40 -1.403 15.898 11.739 1.00 0.00 C ATOM 0 HA PRO A 40 -2.487 13.196 10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.544 13.790 13.354 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.496 12.673 12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.527 14.971 13.467 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.054 14.333 11.941 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.896 16.584 12.428 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.630 16.467 11.222 1.00 0.00 H new ATOM 616 N THR A 41 -4.877 14.853 11.844 1.00 0.00 N ATOM 617 CA THR A 41 -6.310 14.863 12.149 1.00 0.00 C ATOM 618 C THR A 41 -7.177 14.807 10.880 1.00 0.00 C ATOM 619 O THR A 41 -8.364 14.454 10.952 1.00 0.00 O ATOM 620 CB THR A 41 -6.689 16.108 12.970 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.559 16.695 13.617 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.713 15.824 14.018 1.00 0.00 C ATOM 0 H THR A 41 -4.428 15.763 11.947 1.00 0.00 H new ATOM 0 HA THR A 41 -6.507 13.965 12.735 1.00 0.00 H new ATOM 0 HB THR A 41 -7.103 16.801 12.238 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.127 17.330 13.008 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.939 16.740 14.563 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.621 15.449 13.547 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.327 15.075 14.710 1.00 0.00 H new ATOM 630 N SER A 42 -6.621 15.238 9.752 1.00 0.00 N ATOM 631 CA SER A 42 -7.342 15.297 8.504 1.00 0.00 C ATOM 632 C SER A 42 -7.984 13.943 8.178 1.00 0.00 C ATOM 633 O SER A 42 -7.339 12.889 8.319 1.00 0.00 O ATOM 634 CB SER A 42 -6.401 15.770 7.390 1.00 0.00 C ATOM 635 OG SER A 42 -5.336 14.855 7.156 1.00 0.00 O ATOM 0 H SER A 42 -5.654 15.555 9.687 1.00 0.00 H new ATOM 0 HA SER A 42 -8.156 16.017 8.591 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.970 15.905 6.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.989 16.744 7.655 1.00 0.00 H new ATOM 0 HG SER A 42 -4.495 15.244 7.475 1.00 0.00 H new ATOM 641 N ALA A 43 -9.269 13.962 7.795 1.00 0.00 N ATOM 642 CA ALA A 43 -10.004 12.721 7.510 1.00 0.00 C ATOM 643 C ALA A 43 -9.197 11.768 6.649 1.00 0.00 C ATOM 644 O ALA A 43 -9.117 10.579 6.956 1.00 0.00 O ATOM 645 CB ALA A 43 -11.367 12.991 6.890 1.00 0.00 C ATOM 0 H ALA A 43 -9.817 14.814 7.676 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.172 12.237 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.873 12.045 6.697 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.966 13.590 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.239 13.532 5.952 1.00 0.00 H new ATOM 651 N VAL A 44 -8.610 12.273 5.567 1.00 0.00 N ATOM 652 CA VAL A 44 -7.787 11.427 4.672 1.00 0.00 C ATOM 653 C VAL A 44 -6.684 10.729 5.495 1.00 0.00 C ATOM 654 O VAL A 44 -6.497 9.523 5.380 1.00 0.00 O ATOM 655 CB VAL A 44 -7.152 12.248 3.474 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.727 13.650 3.892 1.00 0.00 C ATOM 657 CG2 VAL A 44 -5.980 11.517 2.838 1.00 0.00 C ATOM 0 H VAL A 44 -8.680 13.250 5.281 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.443 10.681 4.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.942 12.343 2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.298 14.171 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.595 14.201 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.983 13.583 4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.577 12.117 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.204 11.353 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.318 10.556 2.449 1.00 0.00 H new ATOM 667 N ASN A 45 -6.008 11.490 6.366 1.00 0.00 N ATOM 668 CA ASN A 45 -4.973 10.929 7.261 1.00 0.00 C ATOM 669 C ASN A 45 -5.549 9.785 8.090 1.00 0.00 C ATOM 670 O ASN A 45 -4.907 8.729 8.243 1.00 0.00 O ATOM 671 CB ASN A 45 -4.410 12.007 8.194 1.00 0.00 C ATOM 672 CG ASN A 45 -2.931 11.831 8.483 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.501 10.785 8.965 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.140 12.858 8.211 1.00 0.00 N ATOM 0 H ASN A 45 -6.155 12.494 6.474 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.163 10.550 6.638 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.572 12.987 7.746 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.962 11.990 9.134 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.140 12.796 8.401 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.531 13.711 7.811 1.00 0.00 H new ATOM 681 N LEU A 46 -6.805 9.951 8.550 1.00 0.00 N ATOM 682 CA LEU A 46 -7.496 8.895 9.279 1.00 0.00 C ATOM 683 C LEU A 46 -7.756 7.743 8.339 1.00 0.00 C ATOM 684 O LEU A 46 -7.519 6.581 8.690 1.00 0.00 O ATOM 685 CB LEU A 46 -8.824 9.390 9.892 1.00 0.00 C ATOM 686 CG LEU A 46 -8.728 10.215 11.189 1.00 0.00 C ATOM 687 CD1 LEU A 46 -7.895 9.508 12.235 1.00 0.00 C ATOM 688 CD2 LEU A 46 -8.167 11.592 10.916 1.00 0.00 C ATOM 0 H LEU A 46 -7.350 10.804 8.425 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.861 8.574 10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.339 9.993 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.452 8.521 10.088 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.740 10.324 11.579 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.849 10.119 13.137 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.348 8.545 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.887 9.350 11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.110 12.153 11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.169 11.500 10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.816 12.117 10.216 1.00 0.00 H new ATOM 700 N GLN A 47 -8.209 8.082 7.123 1.00 0.00 N ATOM 701 CA GLN A 47 -8.467 7.116 6.087 1.00 0.00 C ATOM 702 C GLN A 47 -7.233 6.284 5.805 1.00 0.00 C ATOM 703 O GLN A 47 -7.249 5.066 5.962 1.00 0.00 O ATOM 704 CB GLN A 47 -8.919 7.814 4.817 1.00 0.00 C ATOM 705 CG GLN A 47 -10.389 7.838 4.712 1.00 0.00 C ATOM 706 CD GLN A 47 -10.825 9.052 4.064 1.00 0.00 C ATOM 707 OE1 GLN A 47 -10.773 10.082 4.800 1.00 0.00 O flip ATOM 708 NE2 GLN A 47 -11.201 9.073 2.898 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.402 9.044 6.846 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.260 6.453 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.535 8.834 4.804 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.499 7.304 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.734 6.972 4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.833 7.768 5.705 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.222 8.211 2.353 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.493 9.953 2.472 1.00 0.00 H new ATOM 717 N LEU A 48 -6.144 6.971 5.429 1.00 0.00 N ATOM 718 CA LEU A 48 -4.862 6.327 5.125 1.00 0.00 C ATOM 719 C LEU A 48 -4.388 5.467 6.269 1.00 0.00 C ATOM 720 O LEU A 48 -4.110 4.291 6.081 1.00 0.00 O ATOM 721 CB LEU A 48 -3.771 7.357 4.795 1.00 0.00 C ATOM 722 CG LEU A 48 -4.078 8.327 3.656 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.709 9.741 4.050 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.349 7.922 2.384 1.00 0.00 C ATOM 0 H LEU A 48 -6.129 7.986 5.328 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.037 5.700 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.567 7.939 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.856 6.819 4.549 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.149 8.289 3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.934 10.419 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.282 10.035 4.929 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.644 9.789 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.585 8.629 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.274 7.924 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.665 6.922 2.086 1.00 0.00 H new ATOM 736 N ASN A 49 -4.280 6.056 7.462 1.00 0.00 N ATOM 737 CA ASN A 49 -3.798 5.304 8.625 1.00 0.00 C ATOM 738 C ASN A 49 -4.671 4.085 8.904 1.00 0.00 C ATOM 739 O ASN A 49 -4.156 3.002 9.232 1.00 0.00 O ATOM 740 CB ASN A 49 -3.622 6.214 9.861 1.00 0.00 C ATOM 741 CG ASN A 49 -4.823 6.305 10.786 1.00 0.00 C ATOM 742 OD1 ASN A 49 -5.350 5.299 11.270 1.00 0.00 O ATOM 743 ND2 ASN A 49 -5.252 7.509 11.045 1.00 0.00 N ATOM 0 H ASN A 49 -4.514 7.031 7.648 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.805 4.923 8.386 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.769 5.854 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.373 7.218 9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.049 7.644 11.667 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.790 8.316 10.626 1.00 0.00 H new ATOM 750 N ASP A 50 -5.978 4.250 8.716 1.00 0.00 N ATOM 751 CA ASP A 50 -6.944 3.165 8.894 1.00 0.00 C ATOM 752 C ASP A 50 -6.761 2.112 7.819 1.00 0.00 C ATOM 753 O ASP A 50 -6.550 0.926 8.124 1.00 0.00 O ATOM 754 CB ASP A 50 -8.366 3.714 8.823 1.00 0.00 C ATOM 755 CG ASP A 50 -9.424 2.660 8.942 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.391 1.885 9.896 1.00 0.00 O ATOM 757 OD2 ASP A 50 -10.298 2.622 8.089 1.00 0.00 O ATOM 0 H ASP A 50 -6.398 5.136 8.437 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.776 2.712 9.871 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.504 4.446 9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.496 4.242 7.878 1.00 0.00 H new ATOM 762 N LEU A 51 -6.856 2.537 6.559 1.00 0.00 N ATOM 763 CA LEU A 51 -6.705 1.617 5.437 1.00 0.00 C ATOM 764 C LEU A 51 -5.328 0.947 5.453 1.00 0.00 C ATOM 765 O LEU A 51 -5.237 -0.250 5.236 1.00 0.00 O ATOM 766 CB LEU A 51 -7.013 2.286 4.079 1.00 0.00 C ATOM 767 CG LEU A 51 -6.133 3.465 3.675 1.00 0.00 C ATOM 768 CD1 LEU A 51 -4.861 2.976 3.035 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.883 4.404 2.736 1.00 0.00 C ATOM 0 H LEU A 51 -7.035 3.505 6.293 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.452 0.833 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.939 1.525 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.049 2.626 4.095 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.874 4.024 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.244 3.829 2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.315 2.352 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.102 2.392 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.236 5.237 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.177 3.861 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.773 4.786 3.237 1.00 0.00 H new ATOM 781 N ILE A 52 -4.269 1.702 5.811 1.00 0.00 N ATOM 782 CA ILE A 52 -2.926 1.121 5.959 1.00 0.00 C ATOM 783 C ILE A 52 -2.993 -0.073 6.925 1.00 0.00 C ATOM 784 O ILE A 52 -2.521 -1.165 6.601 1.00 0.00 O ATOM 785 CB ILE A 52 -1.876 2.175 6.471 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.524 3.171 5.366 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.598 1.512 6.992 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.772 4.378 5.868 1.00 0.00 C ATOM 0 H ILE A 52 -4.320 2.703 6.000 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.593 0.789 4.976 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.343 2.705 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.923 2.666 4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.441 3.500 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.096 2.279 7.334 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.844 0.849 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.135 0.935 6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.554 5.044 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.380 4.905 6.603 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.162 4.058 6.331 1.00 0.00 H new ATOM 800 N GLU A 53 -3.659 0.122 8.072 1.00 0.00 N ATOM 801 CA GLU A 53 -3.864 -0.962 9.027 1.00 0.00 C ATOM 802 C GLU A 53 -4.677 -2.066 8.386 1.00 0.00 C ATOM 803 O GLU A 53 -4.279 -3.237 8.413 1.00 0.00 O ATOM 804 CB GLU A 53 -4.542 -0.457 10.295 1.00 0.00 C ATOM 805 CG GLU A 53 -3.568 -0.217 11.406 1.00 0.00 C ATOM 806 CD GLU A 53 -4.149 -0.518 12.743 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.130 -1.682 13.152 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.641 0.401 13.386 1.00 0.00 O ATOM 0 H GLU A 53 -4.060 1.016 8.354 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.890 -1.361 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.074 0.469 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.287 -1.183 10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.683 -0.834 11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.240 0.822 11.381 1.00 0.00 H new ATOM 815 N HIS A 54 -5.771 -1.681 7.730 1.00 0.00 N ATOM 816 CA HIS A 54 -6.592 -2.630 6.974 1.00 0.00 C ATOM 817 C HIS A 54 -5.700 -3.476 6.078 1.00 0.00 C ATOM 818 O HIS A 54 -5.750 -4.703 6.136 1.00 0.00 O ATOM 819 CB HIS A 54 -7.612 -1.909 6.107 1.00 0.00 C ATOM 820 CG HIS A 54 -8.671 -2.813 5.541 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.550 -4.199 5.433 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.874 -2.514 5.052 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.652 -4.687 4.892 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.472 -3.680 4.651 1.00 0.00 N ATOM 0 H HIS A 54 -6.110 -0.719 7.706 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.121 -3.259 7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.091 -1.129 6.698 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.093 -1.414 5.286 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.741 -4.747 5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.303 -1.525 4.984 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.848 -5.728 4.683 1.00 0.00 H new ATOM 833 N ILE A 55 -4.866 -2.808 5.275 1.00 0.00 N ATOM 834 CA ILE A 55 -3.923 -3.482 4.391 1.00 0.00 C ATOM 835 C ILE A 55 -2.937 -4.316 5.212 1.00 0.00 C ATOM 836 O ILE A 55 -2.690 -5.456 4.880 1.00 0.00 O ATOM 837 CB ILE A 55 -3.133 -2.473 3.494 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.081 -1.559 2.719 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.213 -3.196 2.515 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.397 -0.353 2.116 1.00 0.00 C ATOM 0 H ILE A 55 -4.829 -1.790 5.223 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.503 -4.131 3.734 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.524 -1.866 4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.557 -2.133 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.874 -1.221 3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.680 -2.464 1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.494 -3.800 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.806 -3.841 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.130 0.251 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.945 0.243 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.623 -0.682 1.423 1.00 0.00 H new ATOM 852 N ALA A 56 -2.391 -3.736 6.290 1.00 0.00 N ATOM 853 CA ALA A 56 -1.435 -4.442 7.168 1.00 0.00 C ATOM 854 C ALA A 56 -2.017 -5.776 7.612 1.00 0.00 C ATOM 855 O ALA A 56 -1.473 -6.846 7.303 1.00 0.00 O ATOM 856 CB ALA A 56 -1.090 -3.582 8.387 1.00 0.00 C ATOM 0 H ALA A 56 -2.593 -2.779 6.579 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.520 -4.627 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.385 -4.118 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.641 -2.645 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.998 -3.370 8.951 1.00 0.00 H new ATOM 862 N SER A 57 -3.165 -5.704 8.273 1.00 0.00 N ATOM 863 CA SER A 57 -3.900 -6.889 8.707 1.00 0.00 C ATOM 864 C SER A 57 -4.245 -7.774 7.496 1.00 0.00 C ATOM 865 O SER A 57 -4.081 -9.006 7.540 1.00 0.00 O ATOM 866 CB SER A 57 -5.182 -6.487 9.446 1.00 0.00 C ATOM 867 OG SER A 57 -5.114 -5.148 9.992 1.00 0.00 O ATOM 0 H SER A 57 -3.614 -4.823 8.524 1.00 0.00 H new ATOM 0 HA SER A 57 -3.268 -7.455 9.391 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.028 -6.554 8.761 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.369 -7.195 10.253 1.00 0.00 H new ATOM 0 HG SER A 57 -5.167 -4.495 9.264 1.00 0.00 H new ATOM 873 N PHE A 58 -4.673 -7.128 6.399 1.00 0.00 N ATOM 874 CA PHE A 58 -4.990 -7.825 5.157 1.00 0.00 C ATOM 875 C PHE A 58 -3.798 -8.649 4.717 1.00 0.00 C ATOM 876 O PHE A 58 -3.920 -9.842 4.523 1.00 0.00 O ATOM 877 CB PHE A 58 -5.380 -6.840 4.047 1.00 0.00 C ATOM 878 CG PHE A 58 -6.047 -7.491 2.884 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.397 -7.765 2.918 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.324 -7.840 1.754 1.00 0.00 C ATOM 881 CE1 PHE A 58 -8.016 -8.371 1.858 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.941 -8.447 0.688 1.00 0.00 C ATOM 883 CZ PHE A 58 -7.291 -8.713 0.738 1.00 0.00 C ATOM 0 H PHE A 58 -4.806 -6.118 6.355 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.842 -8.479 5.342 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.046 -6.083 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.486 -6.322 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.974 -7.498 3.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.265 -7.632 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.075 -8.581 1.900 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.369 -8.715 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.780 -9.189 -0.099 1.00 0.00 H new ATOM 893 N VAL A 59 -2.636 -8.005 4.624 1.00 0.00 N ATOM 894 CA VAL A 59 -1.391 -8.670 4.273 1.00 0.00 C ATOM 895 C VAL A 59 -1.193 -9.891 5.157 1.00 0.00 C ATOM 896 O VAL A 59 -1.042 -10.990 4.649 1.00 0.00 O ATOM 897 CB VAL A 59 -0.181 -7.702 4.400 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.137 -8.415 4.140 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.344 -6.536 3.441 1.00 0.00 C ATOM 0 H VAL A 59 -2.535 -7.004 4.791 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.451 -8.988 3.232 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.159 -7.328 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.959 -7.706 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.264 -9.220 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.134 -8.830 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.508 -5.864 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.397 -6.910 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.261 -5.996 3.677 1.00 0.00 H new ATOM 909 N MET A 60 -1.279 -9.704 6.486 1.00 0.00 N ATOM 910 CA MET A 60 -1.184 -10.830 7.418 1.00 0.00 C ATOM 911 C MET A 60 -2.106 -11.970 6.980 1.00 0.00 C ATOM 912 O MET A 60 -1.651 -13.089 6.755 1.00 0.00 O ATOM 913 CB MET A 60 -1.528 -10.403 8.839 1.00 0.00 C ATOM 914 CG MET A 60 -0.371 -10.568 9.801 1.00 0.00 C ATOM 915 SD MET A 60 0.273 -9.016 10.483 1.00 0.00 S ATOM 916 CE MET A 60 -1.152 -7.940 10.403 1.00 0.00 C ATOM 0 H MET A 60 -1.412 -8.795 6.929 1.00 0.00 H new ATOM 0 HA MET A 60 -0.152 -11.181 7.406 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.843 -9.359 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.375 -10.990 9.194 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.689 -11.207 10.625 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.439 -11.088 9.289 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.986 -7.069 11.037 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.306 -7.616 9.374 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.034 -8.478 10.750 1.00 0.00 H new ATOM 926 N SER A 61 -3.390 -11.648 6.773 1.00 0.00 N ATOM 927 CA SER A 61 -4.371 -12.625 6.281 1.00 0.00 C ATOM 928 C SER A 61 -3.944 -13.172 4.910 1.00 0.00 C ATOM 929 O SER A 61 -4.020 -14.383 4.666 1.00 0.00 O ATOM 930 CB SER A 61 -5.771 -11.999 6.203 1.00 0.00 C ATOM 931 OG SER A 61 -6.788 -12.956 6.555 1.00 0.00 O ATOM 0 H SER A 61 -3.774 -10.718 6.939 1.00 0.00 H new ATOM 0 HA SER A 61 -4.410 -13.456 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.827 -11.141 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.951 -11.627 5.194 1.00 0.00 H new ATOM 0 HG SER A 61 -7.648 -12.497 6.655 1.00 0.00 H new ATOM 937 N PHE A 62 -3.464 -12.282 4.042 1.00 0.00 N ATOM 938 CA PHE A 62 -2.963 -12.647 2.719 1.00 0.00 C ATOM 939 C PHE A 62 -1.911 -13.744 2.859 1.00 0.00 C ATOM 940 O PHE A 62 -2.038 -14.814 2.262 1.00 0.00 O ATOM 941 CB PHE A 62 -2.353 -11.409 2.035 1.00 0.00 C ATOM 942 CG PHE A 62 -2.423 -11.433 0.537 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.634 -11.268 -0.119 1.00 0.00 C ATOM 944 CD2 PHE A 62 -1.278 -11.611 -0.218 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.697 -11.282 -1.496 1.00 0.00 C ATOM 946 CE2 PHE A 62 -1.334 -11.624 -1.596 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.546 -11.460 -2.237 1.00 0.00 C ATOM 0 H PHE A 62 -3.412 -11.283 4.239 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.785 -13.018 2.107 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.867 -10.519 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.309 -11.319 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.538 -11.127 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.328 -11.742 0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.646 -11.154 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.431 -11.762 -2.173 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.593 -11.471 -3.316 1.00 0.00 H new ATOM 957 N LYS A 63 -0.925 -13.499 3.727 1.00 0.00 N ATOM 958 CA LYS A 63 0.139 -14.479 4.023 1.00 0.00 C ATOM 959 C LYS A 63 -0.445 -15.818 4.540 1.00 0.00 C ATOM 960 O LYS A 63 0.136 -16.897 4.313 1.00 0.00 O ATOM 961 CB LYS A 63 1.180 -13.906 5.024 1.00 0.00 C ATOM 962 CG LYS A 63 1.408 -12.387 4.898 1.00 0.00 C ATOM 963 CD LYS A 63 2.802 -11.959 5.306 1.00 0.00 C ATOM 964 CE LYS A 63 2.879 -11.707 6.804 1.00 0.00 C ATOM 965 NZ LYS A 63 3.723 -10.538 7.155 1.00 0.00 N ATOM 0 H LYS A 63 -0.837 -12.624 4.244 1.00 0.00 H new ATOM 0 HA LYS A 63 0.655 -14.682 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.853 -14.130 6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.131 -14.418 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.229 -12.083 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.678 -11.864 5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.519 -12.730 5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.081 -11.054 4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.873 -11.551 7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.276 -12.595 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.669 -10.366 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.710 -10.729 6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.383 -9.698 6.644 1.00 0.00 H new ATOM 979 N ILE A 64 -1.596 -15.760 5.207 1.00 0.00 N ATOM 980 CA ILE A 64 -2.275 -16.972 5.678 1.00 0.00 C ATOM 981 C ILE A 64 -2.964 -17.672 4.496 1.00 0.00 C ATOM 982 O ILE A 64 -3.032 -18.906 4.443 1.00 0.00 O ATOM 983 CB ILE A 64 -3.341 -16.670 6.777 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.774 -15.746 7.860 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.852 -17.966 7.401 1.00 0.00 C ATOM 986 CD1 ILE A 64 -3.658 -15.614 9.077 1.00 0.00 C ATOM 0 H ILE A 64 -2.079 -14.891 5.434 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.513 -17.615 6.118 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.176 -16.159 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.799 -16.122 8.170 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.612 -14.757 7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.594 -17.734 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.307 -18.587 6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.020 -18.504 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.188 -14.944 9.797 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.626 -15.208 8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.799 -16.594 9.532 1.00 0.00 H new ATOM 998 N LYS A 65 -3.506 -16.885 3.568 1.00 0.00 N ATOM 999 CA LYS A 65 -4.190 -17.417 2.419 1.00 0.00 C ATOM 1000 C LYS A 65 -3.201 -17.926 1.364 1.00 0.00 C ATOM 1001 O LYS A 65 -3.447 -18.959 0.735 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.113 -16.361 1.828 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.241 -15.953 2.768 1.00 0.00 C ATOM 1004 CD LYS A 65 -6.974 -14.708 2.279 1.00 0.00 C ATOM 1005 CE LYS A 65 -7.148 -13.674 3.392 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.703 -14.257 4.653 1.00 0.00 N ATOM 0 H LYS A 65 -3.477 -15.866 3.602 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.788 -18.269 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.527 -15.479 1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.542 -16.741 0.901 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.949 -16.776 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.834 -15.767 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.420 -14.262 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.952 -14.992 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.184 -13.213 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.810 -12.881 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.198 -13.860 5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.715 -14.027 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.583 -15.290 4.640 1.00 0.00 H new ATOM 1020 N TYR A 66 -2.094 -17.206 1.168 1.00 0.00 N ATOM 1021 CA TYR A 66 -1.086 -17.607 0.191 1.00 0.00 C ATOM 1022 C TYR A 66 0.321 -17.535 0.784 1.00 0.00 C ATOM 1023 O TYR A 66 0.610 -16.649 1.572 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.171 -16.742 -1.067 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.686 -17.446 -2.310 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.401 -18.503 -2.859 1.00 0.00 C ATOM 1027 CD2 TYR A 66 0.489 -17.063 -2.932 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -0.957 -19.151 -3.988 1.00 0.00 C ATOM 1029 CE2 TYR A 66 0.936 -17.705 -4.064 1.00 0.00 C ATOM 1030 CZ TYR A 66 0.213 -18.747 -4.587 1.00 0.00 C ATOM 1031 OH TYR A 66 0.656 -19.389 -5.714 1.00 0.00 O ATOM 0 H TYR A 66 -1.876 -16.346 1.672 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.290 -18.642 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.205 -16.429 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.582 -15.837 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.321 -18.821 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.065 -16.246 -2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.524 -19.972 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.853 -17.390 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 66 1.496 -18.982 -6.014 1.00 0.00 H new ATOM 1041 N PRO A 67 1.202 -18.522 0.456 1.00 0.00 N ATOM 1042 CA PRO A 67 2.576 -18.577 0.989 1.00 0.00 C ATOM 1043 C PRO A 67 3.617 -17.814 0.127 1.00 0.00 C ATOM 1044 O PRO A 67 4.616 -17.319 0.651 1.00 0.00 O ATOM 1045 CB PRO A 67 2.873 -20.074 0.976 1.00 0.00 C ATOM 1046 CG PRO A 67 2.103 -20.611 -0.196 1.00 0.00 C ATOM 1047 CD PRO A 67 0.902 -19.707 -0.395 1.00 0.00 C ATOM 0 HA PRO A 67 2.646 -18.100 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.941 -20.264 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.558 -20.547 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.725 -20.627 -1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.786 -21.637 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.781 -19.427 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.022 -20.196 -0.087 1.00 0.00 H new ATOM 1055 N ASP A 68 3.400 -17.785 -1.203 1.00 0.00 N ATOM 1056 CA ASP A 68 4.340 -17.153 -2.169 1.00 0.00 C ATOM 1057 C ASP A 68 4.229 -15.620 -2.200 1.00 0.00 C ATOM 1058 O ASP A 68 4.871 -14.962 -3.034 1.00 0.00 O ATOM 1059 CB ASP A 68 4.094 -17.706 -3.581 1.00 0.00 C ATOM 1060 CG ASP A 68 5.279 -18.392 -4.191 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.995 -19.110 -3.486 1.00 0.00 O ATOM 1062 OD2 ASP A 68 5.485 -18.243 -5.388 1.00 0.00 O ATOM 0 H ASP A 68 2.576 -18.194 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 68 5.346 -17.401 -1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.262 -18.409 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.789 -16.886 -4.231 1.00 0.00 H new ATOM 1067 N ASP A 69 3.471 -15.051 -1.275 1.00 0.00 N ATOM 1068 CA ASP A 69 3.311 -13.612 -1.142 1.00 0.00 C ATOM 1069 C ASP A 69 4.570 -12.947 -0.618 1.00 0.00 C ATOM 1070 O ASP A 69 4.652 -11.709 -0.590 1.00 0.00 O ATOM 1071 CB ASP A 69 2.185 -13.314 -0.174 1.00 0.00 C ATOM 1072 CG ASP A 69 2.584 -13.618 1.256 1.00 0.00 C ATOM 1073 OD1 ASP A 69 2.852 -14.781 1.556 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.692 -12.691 2.053 1.00 0.00 O ATOM 0 H ASP A 69 2.942 -15.585 -0.585 1.00 0.00 H new ATOM 0 HA ASP A 69 3.093 -13.218 -2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.900 -12.265 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.309 -13.905 -0.441 1.00 0.00 H new ATOM 1079 N GLY A 70 5.493 -13.756 -0.132 1.00 0.00 N ATOM 1080 CA GLY A 70 6.699 -13.289 0.482 1.00 0.00 C ATOM 1081 C GLY A 70 7.324 -12.079 -0.167 1.00 0.00 C ATOM 1082 O GLY A 70 7.831 -11.241 0.532 1.00 0.00 O ATOM 0 H GLY A 70 5.414 -14.773 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.489 -13.054 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.427 -14.100 0.478 1.00 0.00 H new ATOM 1086 N ASP A 71 7.254 -11.959 -1.498 1.00 0.00 N ATOM 1087 CA ASP A 71 7.822 -10.769 -2.191 1.00 0.00 C ATOM 1088 C ASP A 71 6.841 -9.593 -2.188 1.00 0.00 C ATOM 1089 O ASP A 71 7.239 -8.438 -2.011 1.00 0.00 O ATOM 1090 CB ASP A 71 8.252 -11.100 -3.635 1.00 0.00 C ATOM 1091 CG ASP A 71 9.641 -10.617 -3.951 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.598 -11.260 -3.548 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.780 -9.593 -4.616 1.00 0.00 O ATOM 0 H ASP A 71 6.823 -12.647 -2.115 1.00 0.00 H new ATOM 0 HA ASP A 71 8.710 -10.476 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.203 -12.178 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.547 -10.648 -4.333 1.00 0.00 H new ATOM 1098 N LEU A 72 5.563 -9.888 -2.411 1.00 0.00 N ATOM 1099 CA LEU A 72 4.510 -8.859 -2.456 1.00 0.00 C ATOM 1100 C LEU A 72 4.342 -8.177 -1.111 1.00 0.00 C ATOM 1101 O LEU A 72 4.437 -6.953 -1.014 1.00 0.00 O ATOM 1102 CB LEU A 72 3.163 -9.471 -2.877 1.00 0.00 C ATOM 1103 CG LEU A 72 2.039 -8.471 -3.236 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.412 -7.597 -4.429 1.00 0.00 C ATOM 1105 CD2 LEU A 72 0.732 -9.202 -3.497 1.00 0.00 C ATOM 0 H LEU A 72 5.223 -10.837 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 72 4.821 -8.118 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.335 -10.117 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.808 -10.108 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 72 1.906 -7.812 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.594 -6.910 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.312 -7.028 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.597 -8.228 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.045 -8.480 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.863 -9.897 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.439 -9.754 -2.604 1.00 0.00 H new ATOM 1117 N SER A 73 4.103 -8.973 -0.080 1.00 0.00 N ATOM 1118 CA SER A 73 3.888 -8.446 1.277 1.00 0.00 C ATOM 1119 C SER A 73 5.098 -7.669 1.739 1.00 0.00 C ATOM 1120 O SER A 73 4.971 -6.551 2.232 1.00 0.00 O ATOM 1121 CB SER A 73 3.522 -9.568 2.240 1.00 0.00 C ATOM 1122 OG SER A 73 2.292 -10.157 1.833 1.00 0.00 O ATOM 0 H SER A 73 4.051 -9.989 -0.148 1.00 0.00 H new ATOM 0 HA SER A 73 3.046 -7.755 1.258 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.311 -10.320 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.433 -9.178 3.254 1.00 0.00 H new ATOM 0 HG SER A 73 2.224 -11.062 2.203 1.00 0.00 H new ATOM 1128 N GLU A 74 6.265 -8.212 1.431 1.00 0.00 N ATOM 1129 CA GLU A 74 7.536 -7.575 1.644 1.00 0.00 C ATOM 1130 C GLU A 74 7.492 -6.094 1.201 1.00 0.00 C ATOM 1131 O GLU A 74 7.973 -5.210 1.917 1.00 0.00 O ATOM 1132 CB GLU A 74 8.559 -8.346 0.826 1.00 0.00 C ATOM 1133 CG GLU A 74 9.929 -8.416 1.411 1.00 0.00 C ATOM 1134 CD GLU A 74 10.409 -9.827 1.610 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.125 -10.403 2.655 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.079 -10.352 0.721 1.00 0.00 O ATOM 0 H GLU A 74 6.346 -9.139 1.013 1.00 0.00 H new ATOM 0 HA GLU A 74 7.797 -7.583 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.192 -9.362 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.627 -7.889 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.625 -7.890 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.936 -7.897 2.369 1.00 0.00 H new ATOM 1143 N LEU A 75 6.862 -5.838 0.052 1.00 0.00 N ATOM 1144 CA LEU A 75 6.691 -4.480 -0.463 1.00 0.00 C ATOM 1145 C LEU A 75 5.454 -3.836 0.139 1.00 0.00 C ATOM 1146 O LEU A 75 5.470 -2.659 0.476 1.00 0.00 O ATOM 1147 CB LEU A 75 6.549 -4.478 -1.990 1.00 0.00 C ATOM 1148 CG LEU A 75 7.337 -3.406 -2.766 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.560 -2.147 -1.940 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.645 -3.968 -3.231 1.00 0.00 C ATOM 0 H LEU A 75 6.459 -6.562 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 75 7.580 -3.914 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.855 -5.457 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.492 -4.362 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 75 6.739 -3.119 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.120 -1.420 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.597 -1.721 -1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.123 -2.397 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.195 -3.203 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.230 -4.289 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.463 -4.821 -3.884 1.00 0.00 H new ATOM 1162 N VAL A 76 4.364 -4.599 0.227 1.00 0.00 N ATOM 1163 CA VAL A 76 3.100 -4.073 0.772 1.00 0.00 C ATOM 1164 C VAL A 76 3.322 -3.500 2.173 1.00 0.00 C ATOM 1165 O VAL A 76 3.003 -2.328 2.422 1.00 0.00 O ATOM 1166 CB VAL A 76 1.946 -5.132 0.807 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.622 -4.472 1.170 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.810 -5.858 -0.528 1.00 0.00 C ATOM 0 H VAL A 76 4.324 -5.575 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 76 2.781 -3.284 0.091 1.00 0.00 H new ATOM 0 HB VAL A 76 2.203 -5.866 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.166 -5.224 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.704 -4.008 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.379 -3.711 0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.000 -6.585 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.590 -5.136 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.743 -6.373 -0.759 1.00 0.00 H new ATOM 1178 N GLU A 77 3.936 -4.298 3.056 1.00 0.00 N ATOM 1179 CA GLU A 77 4.261 -3.837 4.408 1.00 0.00 C ATOM 1180 C GLU A 77 5.191 -2.621 4.331 1.00 0.00 C ATOM 1181 O GLU A 77 4.923 -1.593 4.955 1.00 0.00 O ATOM 1182 CB GLU A 77 4.882 -4.970 5.253 1.00 0.00 C ATOM 1183 CG GLU A 77 4.073 -6.291 5.231 1.00 0.00 C ATOM 1184 CD GLU A 77 4.063 -7.047 6.539 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.811 -6.679 7.457 1.00 0.00 O ATOM 1186 OE2 GLU A 77 3.312 -8.009 6.659 1.00 0.00 O ATOM 0 H GLU A 77 4.215 -5.259 2.859 1.00 0.00 H new ATOM 0 HA GLU A 77 3.339 -3.538 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.891 -5.168 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.975 -4.630 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.044 -6.067 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.482 -6.939 4.456 1.00 0.00 H new ATOM 1193 N GLU A 78 6.224 -2.718 3.468 1.00 0.00 N ATOM 1194 CA GLU A 78 7.145 -1.598 3.193 1.00 0.00 C ATOM 1195 C GLU A 78 6.335 -0.335 2.848 1.00 0.00 C ATOM 1196 O GLU A 78 6.480 0.705 3.495 1.00 0.00 O ATOM 1197 CB GLU A 78 8.064 -1.950 1.999 1.00 0.00 C ATOM 1198 CG GLU A 78 9.551 -1.850 2.268 1.00 0.00 C ATOM 1199 CD GLU A 78 10.336 -1.832 0.997 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.390 -0.791 0.352 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.898 -2.861 0.625 1.00 0.00 O ATOM 0 H GLU A 78 6.441 -3.568 2.947 1.00 0.00 H new ATOM 0 HA GLU A 78 7.754 -1.416 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.838 -2.967 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.818 -1.290 1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.759 -0.945 2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.869 -2.693 2.881 1.00 0.00 H new ATOM 1208 N TYR A 79 5.478 -0.464 1.833 1.00 0.00 N ATOM 1209 CA TYR A 79 4.594 0.605 1.357 1.00 0.00 C ATOM 1210 C TYR A 79 3.766 1.150 2.516 1.00 0.00 C ATOM 1211 O TYR A 79 3.796 2.353 2.798 1.00 0.00 O ATOM 1212 CB TYR A 79 3.676 0.044 0.240 1.00 0.00 C ATOM 1213 CG TYR A 79 2.738 1.030 -0.453 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.003 2.394 -0.510 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.584 0.569 -1.074 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.139 3.257 -1.159 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.725 1.424 -1.724 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.004 2.769 -1.766 1.00 0.00 C ATOM 1219 OH TYR A 79 0.151 3.635 -2.425 1.00 0.00 O ATOM 0 H TYR A 79 5.376 -1.332 1.307 1.00 0.00 H new ATOM 0 HA TYR A 79 5.188 1.424 0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.310 -0.411 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.070 -0.754 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.895 2.784 -0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.356 -0.486 -1.046 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.355 4.315 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.165 1.040 -2.200 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.688 3.173 -2.632 1.00 0.00 H new ATOM 1229 N LEU A 80 3.060 0.260 3.207 1.00 0.00 N ATOM 1230 CA LEU A 80 2.242 0.634 4.371 1.00 0.00 C ATOM 1231 C LEU A 80 3.060 1.422 5.374 1.00 0.00 C ATOM 1232 O LEU A 80 2.728 2.575 5.712 1.00 0.00 O ATOM 1233 CB LEU A 80 1.690 -0.623 5.052 1.00 0.00 C ATOM 1234 CG LEU A 80 0.651 -1.390 4.259 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.265 -2.665 4.976 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.550 -0.516 4.029 1.00 0.00 C ATOM 0 H LEU A 80 3.034 -0.735 2.984 1.00 0.00 H new ATOM 0 HA LEU A 80 1.418 1.255 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.522 -1.292 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.253 -0.335 6.008 1.00 0.00 H new ATOM 0 HG LEU A 80 1.073 -1.670 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.482 -3.200 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.147 -3.293 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.149 -2.421 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.297 -1.067 3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.973 -0.219 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.252 0.373 3.473 1.00 0.00 H new ATOM 1248 N ASP A 81 4.132 0.793 5.826 1.00 0.00 N ATOM 1249 CA ASP A 81 5.056 1.362 6.795 1.00 0.00 C ATOM 1250 C ASP A 81 5.584 2.707 6.337 1.00 0.00 C ATOM 1251 O ASP A 81 5.576 3.676 7.107 1.00 0.00 O ATOM 1252 CB ASP A 81 6.214 0.411 7.021 1.00 0.00 C ATOM 1253 CG ASP A 81 6.709 0.437 8.419 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.439 1.364 8.772 1.00 0.00 O ATOM 1255 OD2 ASP A 81 6.376 -0.478 9.176 1.00 0.00 O ATOM 0 H ASP A 81 4.390 -0.146 5.524 1.00 0.00 H new ATOM 0 HA ASP A 81 4.512 1.512 7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.902 -0.602 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.029 0.670 6.346 1.00 0.00 H new ATOM 1260 N ASP A 82 6.048 2.775 5.086 1.00 0.00 N ATOM 1261 CA ASP A 82 6.563 4.038 4.522 1.00 0.00 C ATOM 1262 C ASP A 82 5.477 5.106 4.570 1.00 0.00 C ATOM 1263 O ASP A 82 5.686 6.185 5.138 1.00 0.00 O ATOM 1264 CB ASP A 82 7.085 3.861 3.073 1.00 0.00 C ATOM 1265 CG ASP A 82 8.566 4.072 2.947 1.00 0.00 C ATOM 1266 OD1 ASP A 82 9.323 3.538 3.756 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.988 4.767 2.034 1.00 0.00 O ATOM 0 H ASP A 82 6.080 1.982 4.445 1.00 0.00 H new ATOM 0 HA ASP A 82 7.410 4.353 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.837 2.859 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.568 4.563 2.419 1.00 0.00 H new ATOM 1272 N THR A 83 4.282 4.773 4.043 1.00 0.00 N ATOM 1273 CA THR A 83 3.133 5.698 4.103 1.00 0.00 C ATOM 1274 C THR A 83 2.898 6.129 5.551 1.00 0.00 C ATOM 1275 O THR A 83 2.841 7.332 5.860 1.00 0.00 O ATOM 1276 CB THR A 83 1.827 5.069 3.541 1.00 0.00 C ATOM 1277 OG1 THR A 83 2.067 4.124 2.495 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.869 6.106 2.993 1.00 0.00 C ATOM 0 H THR A 83 4.089 3.886 3.578 1.00 0.00 H new ATOM 0 HA THR A 83 3.380 6.557 3.479 1.00 0.00 H new ATOM 0 HB THR A 83 1.386 4.565 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.366 3.275 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.025 5.611 2.614 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.591 6.800 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.351 6.655 2.184 1.00 0.00 H new ATOM 1286 N TYR A 84 2.798 5.136 6.444 1.00 0.00 N ATOM 1287 CA TYR A 84 2.614 5.380 7.859 1.00 0.00 C ATOM 1288 C TYR A 84 3.701 6.334 8.378 1.00 0.00 C ATOM 1289 O TYR A 84 3.403 7.328 9.050 1.00 0.00 O ATOM 1290 CB TYR A 84 2.649 4.048 8.636 1.00 0.00 C ATOM 1291 CG TYR A 84 2.633 4.237 10.116 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.442 4.350 10.801 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.816 4.338 10.823 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.424 4.570 12.149 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.811 4.546 12.173 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.611 4.666 12.836 1.00 0.00 C ATOM 1297 OH TYR A 84 2.596 4.916 14.185 1.00 0.00 O ATOM 0 H TYR A 84 2.844 4.148 6.195 1.00 0.00 H new ATOM 0 HA TYR A 84 1.641 5.847 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.793 3.440 8.343 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.544 3.493 8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.509 4.263 10.264 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.757 4.251 10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.484 4.668 12.671 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.742 4.616 12.716 1.00 0.00 H new ATOM 0 HH TYR A 84 3.516 4.953 14.521 1.00 0.00 H new ATOM 1307 N THR A 85 4.951 6.019 8.065 1.00 0.00 N ATOM 1308 CA THR A 85 6.091 6.824 8.484 1.00 0.00 C ATOM 1309 C THR A 85 6.015 8.260 7.912 1.00 0.00 C ATOM 1310 O THR A 85 6.318 9.218 8.620 1.00 0.00 O ATOM 1311 CB THR A 85 7.405 6.119 8.112 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.417 4.774 8.632 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.643 6.821 8.641 1.00 0.00 C ATOM 0 H THR A 85 5.203 5.199 7.514 1.00 0.00 H new ATOM 0 HA THR A 85 6.063 6.925 9.569 1.00 0.00 H new ATOM 0 HB THR A 85 7.441 6.132 7.023 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.951 4.178 8.009 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.532 6.267 8.340 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.690 7.831 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.597 6.869 9.729 1.00 0.00 H new ATOM 1321 N LEU A 86 5.562 8.413 6.663 1.00 0.00 N ATOM 1322 CA LEU A 86 5.386 9.753 6.059 1.00 0.00 C ATOM 1323 C LEU A 86 4.446 10.574 6.915 1.00 0.00 C ATOM 1324 O LEU A 86 4.832 11.606 7.476 1.00 0.00 O ATOM 1325 CB LEU A 86 4.770 9.640 4.669 1.00 0.00 C ATOM 1326 CG LEU A 86 5.626 10.082 3.464 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.660 11.140 3.843 1.00 0.00 C ATOM 1328 CD2 LEU A 86 6.288 8.897 2.803 1.00 0.00 C ATOM 0 H LEU A 86 5.311 7.638 6.049 1.00 0.00 H new ATOM 0 HA LEU A 86 6.366 10.225 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.484 8.600 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.852 10.227 4.661 1.00 0.00 H new ATOM 0 HG LEU A 86 4.946 10.541 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.237 11.418 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.152 12.021 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.330 10.738 4.603 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.885 9.239 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.933 8.393 3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.525 8.203 2.452 1.00 0.00 H new ATOM 1340 N PHE A 87 3.205 10.081 7.031 1.00 0.00 N ATOM 1341 CA PHE A 87 2.168 10.731 7.842 1.00 0.00 C ATOM 1342 C PHE A 87 2.566 10.823 9.313 1.00 0.00 C ATOM 1343 O PHE A 87 2.002 11.632 10.061 1.00 0.00 O ATOM 1344 CB PHE A 87 0.822 10.024 7.683 1.00 0.00 C ATOM 1345 CG PHE A 87 0.245 10.173 6.298 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.299 11.378 5.884 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.275 9.118 5.403 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.805 11.525 4.612 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.226 9.260 4.128 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.767 10.463 3.733 1.00 0.00 C ATOM 0 H PHE A 87 2.894 9.227 6.569 1.00 0.00 H new ATOM 0 HA PHE A 87 2.064 11.751 7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.944 8.965 7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.117 10.426 8.411 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.327 12.213 6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.696 8.172 5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.230 12.469 4.304 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.195 8.429 3.439 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.162 10.575 2.734 1.00 0.00 H new ATOM 1360 N SER A 88 3.583 10.050 9.717 1.00 0.00 N ATOM 1361 CA SER A 88 4.100 10.129 11.061 1.00 0.00 C ATOM 1362 C SER A 88 4.909 11.433 11.273 1.00 0.00 C ATOM 1363 O SER A 88 5.191 11.810 12.415 1.00 0.00 O ATOM 1364 CB SER A 88 4.948 8.918 11.367 1.00 0.00 C ATOM 1365 OG SER A 88 4.150 7.735 11.497 1.00 0.00 O ATOM 0 H SER A 88 4.054 9.368 9.122 1.00 0.00 H new ATOM 0 HA SER A 88 3.256 10.147 11.750 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.682 8.777 10.574 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.504 9.086 12.289 1.00 0.00 H new ATOM 0 HG SER A 88 3.975 7.359 10.609 1.00 0.00 H new ATOM 1371 N SER A 89 5.215 12.152 10.181 1.00 0.00 N ATOM 1372 CA SER A 89 5.868 13.443 10.264 1.00 0.00 C ATOM 1373 C SER A 89 4.918 14.495 9.708 1.00 0.00 C ATOM 1374 O SER A 89 4.503 14.385 8.549 1.00 0.00 O ATOM 1375 CB SER A 89 7.199 13.457 9.480 1.00 0.00 C ATOM 1376 OG SER A 89 7.126 12.699 8.253 1.00 0.00 O ATOM 0 H SER A 89 5.013 11.847 9.229 1.00 0.00 H new ATOM 0 HA SER A 89 6.107 13.657 11.306 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.471 14.487 9.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.991 13.050 10.108 1.00 0.00 H new ATOM 0 HG SER A 89 6.195 12.657 7.949 1.00 0.00 H new ATOM 1382 N TYR A 90 4.541 15.482 10.536 1.00 0.00 N ATOM 1383 CA TYR A 90 3.598 16.535 10.125 1.00 0.00 C ATOM 1384 C TYR A 90 3.946 17.065 8.740 1.00 0.00 C ATOM 1385 O TYR A 90 3.147 16.960 7.808 1.00 0.00 O ATOM 1386 CB TYR A 90 3.573 17.679 11.153 1.00 0.00 C ATOM 1387 CG TYR A 90 2.604 17.461 12.298 1.00 0.00 C ATOM 1388 CD1 TYR A 90 2.646 16.300 13.055 1.00 0.00 C ATOM 1389 CD2 TYR A 90 1.653 18.416 12.628 1.00 0.00 C ATOM 1390 CE1 TYR A 90 1.779 16.095 14.095 1.00 0.00 C ATOM 1391 CE2 TYR A 90 0.782 18.218 13.673 1.00 0.00 C ATOM 1392 CZ TYR A 90 0.849 17.054 14.403 1.00 0.00 C ATOM 1393 OH TYR A 90 -0.013 16.853 15.459 1.00 0.00 O ATOM 0 H TYR A 90 4.875 15.573 11.495 1.00 0.00 H new ATOM 0 HA TYR A 90 2.602 16.095 10.080 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.576 17.810 11.560 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.313 18.606 10.642 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.378 15.541 12.819 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.596 19.330 12.055 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.828 15.182 14.670 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.049 18.972 13.919 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.609 17.626 15.546 1.00 0.00 H new ATOM 1403 N GLY A 91 5.158 17.575 8.585 1.00 0.00 N ATOM 1404 CA GLY A 91 5.583 18.025 7.285 1.00 0.00 C ATOM 1405 C GLY A 91 6.031 16.862 6.462 1.00 0.00 C ATOM 1406 O GLY A 91 7.002 16.173 6.824 1.00 0.00 O ATOM 0 H GLY A 91 5.846 17.683 9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.764 18.541 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.397 18.743 7.388 1.00 0.00 H new ATOM 1410 N ILE A 92 5.328 16.603 5.386 1.00 0.00 N ATOM 1411 CA ILE A 92 5.659 15.491 4.528 1.00 0.00 C ATOM 1412 C ILE A 92 6.978 15.740 3.844 1.00 0.00 C ATOM 1413 O ILE A 92 7.107 16.646 2.999 1.00 0.00 O ATOM 1414 CB ILE A 92 4.550 15.177 3.502 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.280 14.788 4.232 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.965 14.045 2.560 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.434 13.603 5.165 1.00 0.00 C ATOM 0 H ILE A 92 4.521 17.149 5.083 1.00 0.00 H new ATOM 0 HA ILE A 92 5.746 14.608 5.160 1.00 0.00 H new ATOM 0 HB ILE A 92 4.379 16.072 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.929 15.645 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.508 14.559 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.161 13.849 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.865 14.334 2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.164 13.144 3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.479 13.392 5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.754 12.730 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.180 13.833 5.925 1.00 0.00 H new ATOM 1429 N ASN A 93 7.957 14.961 4.226 1.00 0.00 N ATOM 1430 CA ASN A 93 9.304 15.087 3.684 1.00 0.00 C ATOM 1431 C ASN A 93 9.333 14.564 2.273 1.00 0.00 C ATOM 1432 O ASN A 93 9.085 13.367 2.050 1.00 0.00 O ATOM 1433 CB ASN A 93 10.345 14.326 4.527 1.00 0.00 C ATOM 1434 CG ASN A 93 10.095 14.379 6.020 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.405 15.376 6.675 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.537 13.316 6.575 1.00 0.00 N ATOM 0 H ASN A 93 7.853 14.220 4.919 1.00 0.00 H new ATOM 0 HA ASN A 93 9.565 16.145 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.361 13.283 4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.333 14.737 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.350 13.303 7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.294 12.509 6.000 1.00 0.00 H new ATOM 1443 N ASP A 94 9.647 15.441 1.321 1.00 0.00 N ATOM 1444 CA ASP A 94 9.724 15.058 -0.089 1.00 0.00 C ATOM 1445 C ASP A 94 10.623 13.833 -0.318 1.00 0.00 C ATOM 1446 O ASP A 94 10.210 12.915 -1.032 1.00 0.00 O ATOM 1447 CB ASP A 94 10.127 16.239 -1.017 1.00 0.00 C ATOM 1448 CG ASP A 94 11.486 16.797 -0.736 1.00 0.00 C ATOM 1449 OD1 ASP A 94 11.609 17.633 0.181 1.00 0.00 O ATOM 1450 OD2 ASP A 94 12.443 16.399 -1.410 1.00 0.00 O ATOM 0 H ASP A 94 9.853 16.424 1.500 1.00 0.00 H new ATOM 0 HA ASP A 94 8.710 14.771 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.091 15.902 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.390 17.036 -0.915 1.00 0.00 H new ATOM 1455 N PRO A 95 11.852 13.745 0.323 1.00 0.00 N ATOM 1456 CA PRO A 95 12.712 12.572 0.150 1.00 0.00 C ATOM 1457 C PRO A 95 11.989 11.303 0.591 1.00 0.00 C ATOM 1458 O PRO A 95 11.781 10.389 -0.212 1.00 0.00 O ATOM 1459 CB PRO A 95 13.943 12.850 1.040 1.00 0.00 C ATOM 1460 CG PRO A 95 13.545 13.968 1.953 1.00 0.00 C ATOM 1461 CD PRO A 95 12.451 14.733 1.262 1.00 0.00 C ATOM 0 HA PRO A 95 12.991 12.414 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.223 11.963 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.807 13.128 0.436 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.198 13.579 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.396 14.616 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.713 15.104 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.845 15.599 0.731 1.00 0.00 H new ATOM 1469 N GLU A 96 11.534 11.290 1.849 1.00 0.00 N ATOM 1470 CA GLU A 96 10.774 10.181 2.385 1.00 0.00 C ATOM 1471 C GLU A 96 9.584 9.864 1.478 1.00 0.00 C ATOM 1472 O GLU A 96 9.353 8.699 1.135 1.00 0.00 O ATOM 1473 CB GLU A 96 10.287 10.518 3.798 1.00 0.00 C ATOM 1474 CG GLU A 96 11.329 10.308 4.896 1.00 0.00 C ATOM 1475 CD GLU A 96 12.555 11.146 4.723 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.438 12.358 4.684 1.00 0.00 O ATOM 1477 OE2 GLU A 96 13.641 10.587 4.624 1.00 0.00 O ATOM 0 H GLU A 96 11.687 12.049 2.513 1.00 0.00 H new ATOM 0 HA GLU A 96 11.418 9.303 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.962 11.558 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.413 9.907 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.878 10.534 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.617 9.257 4.916 1.00 0.00 H new ATOM 1484 N LEU A 97 8.834 10.899 1.086 1.00 0.00 N ATOM 1485 CA LEU A 97 7.682 10.714 0.212 1.00 0.00 C ATOM 1486 C LEU A 97 8.092 10.054 -1.094 1.00 0.00 C ATOM 1487 O LEU A 97 7.494 9.060 -1.498 1.00 0.00 O ATOM 1488 CB LEU A 97 6.958 12.035 -0.071 1.00 0.00 C ATOM 1489 CG LEU A 97 5.664 11.905 -0.886 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.558 11.288 -0.060 1.00 0.00 C ATOM 1491 CD2 LEU A 97 5.238 13.245 -1.429 1.00 0.00 C ATOM 0 H LEU A 97 9.006 11.866 1.361 1.00 0.00 H new ATOM 0 HA LEU A 97 6.987 10.059 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.724 12.514 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.640 12.698 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 97 5.865 11.241 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.654 11.209 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.862 10.295 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.360 11.915 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.319 13.129 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.065 13.934 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.022 13.642 -2.074 1.00 0.00 H new ATOM 1503 N GLN A 98 9.101 10.603 -1.766 1.00 0.00 N ATOM 1504 CA GLN A 98 9.547 10.040 -3.031 1.00 0.00 C ATOM 1505 C GLN A 98 10.056 8.614 -2.873 1.00 0.00 C ATOM 1506 O GLN A 98 9.751 7.753 -3.710 1.00 0.00 O ATOM 1507 CB GLN A 98 10.543 10.952 -3.728 1.00 0.00 C ATOM 1508 CG GLN A 98 9.924 12.279 -4.144 1.00 0.00 C ATOM 1509 CD GLN A 98 8.582 12.117 -4.811 1.00 0.00 C ATOM 1510 OE1 GLN A 98 8.357 11.165 -5.582 1.00 0.00 O ATOM 1511 NE2 GLN A 98 7.683 13.010 -4.533 1.00 0.00 N ATOM 0 H GLN A 98 9.618 11.427 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 98 8.678 9.976 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.386 11.140 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.939 10.447 -4.609 1.00 0.00 H new ATOM 0 HG2 GLN A 98 9.813 12.914 -3.265 1.00 0.00 H new ATOM 0 HG3 GLN A 98 10.603 12.793 -4.825 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.904 13.776 -3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.755 12.946 -4.951 1.00 0.00 H new ATOM 1520 N ARG A 99 10.733 8.326 -1.760 1.00 0.00 N ATOM 1521 CA ARG A 99 11.128 6.953 -1.462 1.00 0.00 C ATOM 1522 C ARG A 99 9.866 6.091 -1.284 1.00 0.00 C ATOM 1523 O ARG A 99 9.753 5.002 -1.865 1.00 0.00 O ATOM 1524 CB ARG A 99 11.987 6.896 -0.200 1.00 0.00 C ATOM 1525 CG ARG A 99 13.233 7.764 -0.277 1.00 0.00 C ATOM 1526 CD ARG A 99 14.370 7.156 0.503 1.00 0.00 C ATOM 1527 NE ARG A 99 14.031 6.987 1.925 1.00 0.00 N ATOM 1528 CZ ARG A 99 13.987 7.978 2.832 1.00 0.00 C ATOM 1529 NH1 ARG A 99 14.354 9.216 2.491 1.00 0.00 N ATOM 1530 NH2 ARG A 99 13.595 7.724 4.080 1.00 0.00 N ATOM 0 H ARG A 99 11.014 9.014 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 99 11.722 6.567 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.387 7.210 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.284 5.863 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.529 7.888 -1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.012 8.758 0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.628 6.188 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.252 7.790 0.413 1.00 0.00 H new ATOM 0 HE ARG A 99 13.812 6.044 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.669 9.411 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.320 9.966 3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.328 6.777 4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.562 8.477 4.767 1.00 0.00 H new ATOM 1544 N TRP A 100 8.865 6.645 -0.583 1.00 0.00 N ATOM 1545 CA TRP A 100 7.562 5.982 -0.421 1.00 0.00 C ATOM 1546 C TRP A 100 6.976 5.717 -1.798 1.00 0.00 C ATOM 1547 O TRP A 100 6.590 4.582 -2.129 1.00 0.00 O ATOM 1548 CB TRP A 100 6.618 6.870 0.419 1.00 0.00 C ATOM 1549 CG TRP A 100 5.175 6.479 0.378 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.599 5.466 1.054 1.00 0.00 C ATOM 1551 CD2 TRP A 100 4.125 7.098 -0.381 1.00 0.00 C ATOM 1552 NE1 TRP A 100 3.272 5.420 0.786 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.948 6.397 -0.090 1.00 0.00 C ATOM 1554 CE3 TRP A 100 4.063 8.172 -1.270 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.720 6.726 -0.650 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.837 8.500 -1.830 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.681 7.772 -1.513 1.00 0.00 C ATOM 0 H TRP A 100 8.933 7.551 -0.119 1.00 0.00 H new ATOM 0 HA TRP A 100 7.685 5.035 0.104 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.954 6.851 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.709 7.900 0.073 1.00 0.00 H new ATOM 0 HD1 TRP A 100 5.120 4.788 1.714 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.616 4.749 1.185 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.951 8.736 -1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.828 6.169 -0.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.772 9.328 -2.520 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.740 8.050 -1.965 1.00 0.00 H new ATOM 1568 N GLN A 101 6.990 6.757 -2.624 1.00 0.00 N ATOM 1569 CA GLN A 101 6.547 6.672 -3.999 1.00 0.00 C ATOM 1570 C GLN A 101 7.242 5.535 -4.729 1.00 0.00 C ATOM 1571 O GLN A 101 6.566 4.715 -5.361 1.00 0.00 O ATOM 1572 CB GLN A 101 6.781 7.991 -4.713 1.00 0.00 C ATOM 1573 CG GLN A 101 6.104 9.144 -4.027 1.00 0.00 C ATOM 1574 CD GLN A 101 4.744 9.427 -4.591 1.00 0.00 C ATOM 1575 OE1 GLN A 101 4.196 8.633 -5.385 1.00 0.00 O ATOM 1576 NE2 GLN A 101 4.178 10.513 -4.178 1.00 0.00 N ATOM 0 H GLN A 101 7.312 7.686 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 101 5.477 6.463 -3.998 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.852 8.185 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.415 7.916 -5.737 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.015 8.928 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.726 10.035 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 101 4.668 11.129 -3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 101 3.241 10.754 -4.501 1.00 0.00 H new ATOM 1585 N LYS A 102 8.566 5.452 -4.606 1.00 0.00 N ATOM 1586 CA LYS A 102 9.325 4.368 -5.224 1.00 0.00 C ATOM 1587 C LYS A 102 8.917 3.021 -4.626 1.00 0.00 C ATOM 1588 O LYS A 102 8.728 2.040 -5.354 1.00 0.00 O ATOM 1589 CB LYS A 102 10.811 4.623 -5.062 1.00 0.00 C ATOM 1590 CG LYS A 102 11.267 5.842 -5.820 1.00 0.00 C ATOM 1591 CD LYS A 102 12.630 6.280 -5.371 1.00 0.00 C ATOM 1592 CE LYS A 102 12.775 7.783 -5.434 1.00 0.00 C ATOM 1593 NZ LYS A 102 12.241 8.363 -6.710 1.00 0.00 N ATOM 0 H LYS A 102 9.133 6.121 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 102 9.101 4.334 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.043 4.748 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.367 3.752 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.285 5.624 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.554 6.653 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.806 5.938 -4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.389 5.813 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.251 8.230 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.828 8.047 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.678 9.292 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.465 7.726 -7.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.210 8.474 -6.636 1.00 0.00 H new ATOM 1607 N THR A 103 8.710 2.996 -3.311 1.00 0.00 N ATOM 1608 CA THR A 103 8.224 1.798 -2.631 1.00 0.00 C ATOM 1609 C THR A 103 6.932 1.301 -3.312 1.00 0.00 C ATOM 1610 O THR A 103 6.871 0.149 -3.773 1.00 0.00 O ATOM 1611 CB THR A 103 8.019 2.069 -1.120 1.00 0.00 C ATOM 1612 OG1 THR A 103 9.187 2.672 -0.549 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.721 0.823 -0.308 1.00 0.00 C ATOM 0 H THR A 103 8.872 3.793 -2.695 1.00 0.00 H new ATOM 0 HA THR A 103 8.971 1.009 -2.712 1.00 0.00 H new ATOM 0 HB THR A 103 7.155 2.732 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.298 3.576 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.590 1.094 0.740 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.808 0.357 -0.679 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.550 0.122 -0.400 1.00 0.00 H new ATOM 1621 N LYS A 104 5.935 2.192 -3.474 1.00 0.00 N ATOM 1622 CA LYS A 104 4.722 1.793 -4.198 1.00 0.00 C ATOM 1623 C LYS A 104 5.034 1.455 -5.656 1.00 0.00 C ATOM 1624 O LYS A 104 4.502 0.476 -6.175 1.00 0.00 O ATOM 1625 CB LYS A 104 3.541 2.792 -4.093 1.00 0.00 C ATOM 1626 CG LYS A 104 3.901 4.254 -3.821 1.00 0.00 C ATOM 1627 CD LYS A 104 2.905 5.204 -4.490 1.00 0.00 C ATOM 1628 CE LYS A 104 3.074 5.235 -6.017 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.374 5.804 -6.425 1.00 0.00 N ATOM 0 H LYS A 104 5.944 3.152 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 104 4.374 0.894 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.974 2.748 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.877 2.452 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.913 4.434 -2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.906 4.458 -4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.889 4.895 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.038 6.209 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.983 4.223 -6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.268 5.822 -6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.471 5.742 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.424 6.800 -6.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.144 5.271 -5.973 1.00 0.00 H new ATOM 1643 N GLU A 105 5.947 2.229 -6.301 1.00 0.00 N ATOM 1644 CA GLU A 105 6.365 1.927 -7.685 1.00 0.00 C ATOM 1645 C GLU A 105 6.725 0.444 -7.795 1.00 0.00 C ATOM 1646 O GLU A 105 6.058 -0.299 -8.523 1.00 0.00 O ATOM 1647 CB GLU A 105 7.574 2.792 -8.135 1.00 0.00 C ATOM 1648 CG GLU A 105 7.279 4.278 -8.333 1.00 0.00 C ATOM 1649 CD GLU A 105 6.121 4.517 -9.237 1.00 0.00 C ATOM 1650 OE1 GLU A 105 6.273 4.354 -10.441 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.054 4.860 -8.744 1.00 0.00 O ATOM 0 H GLU A 105 6.396 3.048 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 105 5.529 2.165 -8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.367 2.692 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.960 2.388 -9.071 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.080 4.737 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.162 4.768 -8.743 1.00 0.00 H new ATOM 1658 N ARG A 106 7.728 0.010 -6.988 1.00 0.00 N ATOM 1659 CA ARG A 106 8.154 -1.415 -6.914 1.00 0.00 C ATOM 1660 C ARG A 106 6.936 -2.332 -6.759 1.00 0.00 C ATOM 1661 O ARG A 106 6.796 -3.335 -7.463 1.00 0.00 O ATOM 1662 CB ARG A 106 9.111 -1.638 -5.718 1.00 0.00 C ATOM 1663 CG ARG A 106 10.402 -0.876 -5.795 1.00 0.00 C ATOM 1664 CD ARG A 106 11.071 -0.829 -4.435 1.00 0.00 C ATOM 1665 NE ARG A 106 11.920 -2.010 -4.138 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.986 -2.635 -2.925 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.143 -2.299 -1.953 1.00 0.00 N ATOM 1668 NH2 ARG A 106 12.891 -3.591 -2.705 1.00 0.00 N ATOM 0 H ARG A 106 8.260 0.629 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 106 8.674 -1.656 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.594 -1.358 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.337 -2.702 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.067 -1.348 -6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.213 0.137 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.684 0.070 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.303 -0.744 -3.666 1.00 0.00 H new ATOM 0 HE ARG A 106 12.495 -2.381 -4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.445 -1.573 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.195 -2.767 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 106 13.539 -3.859 -3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.934 -4.053 -1.797 1.00 0.00 H new ATOM 1682 N LEU A 107 6.053 -1.968 -5.842 1.00 0.00 N ATOM 1683 CA LEU A 107 4.848 -2.741 -5.585 1.00 0.00 C ATOM 1684 C LEU A 107 3.969 -2.865 -6.840 1.00 0.00 C ATOM 1685 O LEU A 107 3.488 -3.964 -7.172 1.00 0.00 O ATOM 1686 CB LEU A 107 4.051 -2.117 -4.430 1.00 0.00 C ATOM 1687 CG LEU A 107 3.055 -3.029 -3.708 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.508 -4.479 -3.732 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.853 -2.561 -2.285 1.00 0.00 C ATOM 0 H LEU A 107 6.150 -1.136 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 107 5.156 -3.748 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.760 -1.738 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.505 -1.258 -4.819 1.00 0.00 H new ATOM 0 HG LEU A 107 2.104 -2.972 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.777 -5.097 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.597 -4.815 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.476 -4.566 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.143 -3.218 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.806 -2.584 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.465 -1.542 -2.289 1.00 0.00 H new ATOM 1701 N PHE A 108 3.768 -1.750 -7.544 1.00 0.00 N ATOM 1702 CA PHE A 108 2.937 -1.748 -8.743 1.00 0.00 C ATOM 1703 C PHE A 108 3.566 -2.550 -9.852 1.00 0.00 C ATOM 1704 O PHE A 108 2.856 -3.203 -10.620 1.00 0.00 O ATOM 1705 CB PHE A 108 2.627 -0.328 -9.220 1.00 0.00 C ATOM 1706 CG PHE A 108 1.451 0.282 -8.527 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.608 0.899 -7.310 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.187 0.227 -9.084 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.549 1.455 -6.658 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.889 0.786 -8.436 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.709 1.401 -7.216 1.00 0.00 C ATOM 0 H PHE A 108 4.168 -0.843 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 108 1.994 -2.222 -8.471 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.502 0.302 -9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.439 -0.345 -10.294 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.589 0.944 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.043 -0.260 -10.037 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.696 1.938 -5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.872 0.743 -8.882 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.551 1.839 -6.700 1.00 0.00 H new ATOM 1721 N ARG A 109 4.893 -2.540 -9.937 1.00 0.00 N ATOM 1722 CA ARG A 109 5.567 -3.320 -10.971 1.00 0.00 C ATOM 1723 C ARG A 109 5.298 -4.793 -10.779 1.00 0.00 C ATOM 1724 O ARG A 109 5.169 -5.523 -11.754 1.00 0.00 O ATOM 1725 CB ARG A 109 7.088 -3.092 -11.035 1.00 0.00 C ATOM 1726 CG ARG A 109 7.654 -2.014 -10.136 1.00 0.00 C ATOM 1727 CD ARG A 109 9.073 -1.638 -10.557 1.00 0.00 C ATOM 1728 NE ARG A 109 9.901 -2.844 -10.754 1.00 0.00 N ATOM 1729 CZ ARG A 109 10.103 -3.477 -11.932 1.00 0.00 C ATOM 1730 NH1 ARG A 109 9.619 -2.956 -13.066 1.00 0.00 N ATOM 1731 NH2 ARG A 109 10.791 -4.625 -11.958 1.00 0.00 N ATOM 0 H ARG A 109 5.511 -2.014 -9.319 1.00 0.00 H new ATOM 0 HA ARG A 109 5.152 -2.971 -11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.583 -4.032 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.352 -2.850 -12.064 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.014 -1.132 -10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.658 -2.362 -9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.041 -1.059 -11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.526 -1.001 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 109 10.360 -3.234 -9.931 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.097 -2.080 -13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.772 -3.435 -13.953 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.160 -5.018 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.946 -5.107 -12.844 1.00 0.00 H new ATOM 1745 N LEU A 110 5.191 -5.236 -9.520 1.00 0.00 N ATOM 1746 CA LEU A 110 4.927 -6.615 -9.255 1.00 0.00 C ATOM 1747 C LEU A 110 3.443 -6.918 -9.477 1.00 0.00 C ATOM 1748 O LEU A 110 3.083 -7.866 -10.208 1.00 0.00 O ATOM 1749 CB LEU A 110 5.465 -6.992 -7.870 1.00 0.00 C ATOM 1750 CG LEU A 110 4.507 -7.260 -6.797 1.00 0.00 C ATOM 1751 CD1 LEU A 110 3.776 -8.556 -7.081 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.252 -7.295 -5.463 1.00 0.00 C ATOM 0 H LEU A 110 5.286 -4.649 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 110 5.459 -7.255 -9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.088 -7.879 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.118 -6.185 -7.537 1.00 0.00 H new ATOM 0 HG LEU A 110 3.758 -6.470 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.063 -8.754 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.244 -8.474 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.494 -9.374 -7.138 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.546 -7.494 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.006 -8.082 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.737 -6.334 -5.292 1.00 0.00 H new ATOM 1764 N PHE A 111 2.587 -6.059 -8.918 1.00 0.00 N ATOM 1765 CA PHE A 111 1.129 -6.147 -9.123 1.00 0.00 C ATOM 1766 C PHE A 111 0.753 -6.150 -10.619 1.00 0.00 C ATOM 1767 O PHE A 111 -0.317 -6.644 -10.985 1.00 0.00 O ATOM 1768 CB PHE A 111 0.409 -4.984 -8.438 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.013 -5.278 -7.033 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.118 -6.071 -6.778 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.691 -4.764 -5.968 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.509 -6.345 -5.485 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.309 -5.032 -4.676 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.794 -5.824 -4.429 1.00 0.00 C ATOM 0 H PHE A 111 2.876 -5.288 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 111 0.812 -7.092 -8.681 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.065 -4.114 -8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.471 -4.718 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.682 -6.481 -7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.555 -4.142 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.373 -6.966 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.873 -4.622 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.095 -6.034 -3.413 1.00 0.00 H new ATOM 1784 N SER A 112 1.599 -5.556 -11.473 1.00 0.00 N ATOM 1785 CA SER A 112 1.304 -5.453 -12.909 1.00 0.00 C ATOM 1786 C SER A 112 1.505 -6.773 -13.698 1.00 0.00 C ATOM 1787 O SER A 112 1.370 -6.773 -14.929 1.00 0.00 O ATOM 1788 CB SER A 112 2.091 -4.302 -13.549 1.00 0.00 C ATOM 1789 OG SER A 112 1.826 -3.061 -12.871 1.00 0.00 O ATOM 0 H SER A 112 2.489 -5.141 -11.196 1.00 0.00 H new ATOM 0 HA SER A 112 0.238 -5.237 -12.974 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.158 -4.521 -13.512 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.820 -4.212 -14.601 1.00 0.00 H new ATOM 0 HG SER A 112 2.017 -3.163 -11.915 1.00 0.00 H new ATOM 1795 N GLY A 113 1.736 -7.900 -13.008 1.00 0.00 N ATOM 1796 CA GLY A 113 1.839 -9.175 -13.718 1.00 0.00 C ATOM 1797 C GLY A 113 3.086 -9.981 -13.424 1.00 0.00 C ATOM 1798 O GLY A 113 3.484 -10.811 -14.257 1.00 0.00 O ATOM 0 H GLY A 113 1.851 -7.953 -11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.968 -9.781 -13.470 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.797 -8.980 -14.790 1.00 0.00 H new ATOM 1802 N GLU A 114 3.666 -9.833 -12.232 1.00 0.00 N ATOM 1803 CA GLU A 114 4.811 -10.653 -11.871 1.00 0.00 C ATOM 1804 C GLU A 114 4.332 -11.905 -11.114 1.00 0.00 C ATOM 1805 O GLU A 114 3.440 -12.615 -11.594 1.00 0.00 O ATOM 1806 CB GLU A 114 5.828 -9.850 -11.057 1.00 0.00 C ATOM 1807 CG GLU A 114 6.210 -8.527 -11.681 1.00 0.00 C ATOM 1808 CD GLU A 114 7.087 -8.673 -12.883 1.00 0.00 C ATOM 1809 OE1 GLU A 114 6.620 -9.168 -13.908 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.247 -8.288 -12.807 1.00 0.00 O ATOM 0 H GLU A 114 3.367 -9.168 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 114 5.320 -10.976 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.419 -9.666 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.728 -10.451 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.304 -7.991 -11.964 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.723 -7.917 -10.937 1.00 0.00 H new ATOM 1817 N TYR A 115 4.866 -12.144 -9.905 1.00 0.00 N ATOM 1818 CA TYR A 115 4.441 -13.283 -9.067 1.00 0.00 C ATOM 1819 C TYR A 115 2.907 -13.299 -8.868 1.00 0.00 C ATOM 1820 O TYR A 115 2.316 -14.362 -8.650 1.00 0.00 O ATOM 1821 CB TYR A 115 5.170 -13.331 -7.679 1.00 0.00 C ATOM 1822 CG TYR A 115 6.224 -12.258 -7.467 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.862 -10.991 -7.055 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.560 -12.498 -7.735 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.797 -9.997 -6.905 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.503 -11.503 -7.596 1.00 0.00 C ATOM 1827 CZ TYR A 115 8.112 -10.253 -7.179 1.00 0.00 C ATOM 1828 OH TYR A 115 9.039 -9.251 -7.042 1.00 0.00 O ATOM 0 H TYR A 115 5.593 -11.565 -9.484 1.00 0.00 H new ATOM 0 HA TYR A 115 4.734 -14.179 -9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.422 -13.245 -6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.641 -14.308 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.824 -10.778 -6.847 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.869 -13.481 -8.058 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.495 -9.015 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.542 -11.704 -7.813 1.00 0.00 H new ATOM 0 HH TYR A 115 9.576 -9.410 -6.238 1.00 0.00 H new ATOM 1838 N ILE A 116 2.266 -12.119 -8.960 1.00 0.00 N ATOM 1839 CA ILE A 116 0.812 -12.008 -8.823 1.00 0.00 C ATOM 1840 C ILE A 116 0.097 -12.946 -9.801 1.00 0.00 C ATOM 1841 O ILE A 116 -0.798 -13.681 -9.399 1.00 0.00 O ATOM 1842 CB ILE A 116 0.334 -10.544 -9.048 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.981 -9.618 -8.012 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.190 -10.438 -8.998 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.135 -9.365 -6.782 1.00 0.00 C ATOM 0 H ILE A 116 2.738 -11.231 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 116 0.558 -12.302 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 116 0.647 -10.232 -10.044 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.932 -10.050 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.205 -8.663 -8.487 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.488 -9.402 -9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.624 -11.066 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.546 -10.771 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.669 -8.700 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.807 -8.902 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.068 -10.311 -6.279 1.00 0.00 H new ATOM 1857 N SER A 117 0.510 -12.924 -11.070 1.00 0.00 N ATOM 1858 CA SER A 117 -0.085 -13.781 -12.103 1.00 0.00 C ATOM 1859 C SER A 117 -0.119 -15.257 -11.668 1.00 0.00 C ATOM 1860 O SER A 117 -1.127 -15.957 -11.883 1.00 0.00 O ATOM 1861 CB SER A 117 0.658 -13.610 -13.419 1.00 0.00 C ATOM 1862 OG SER A 117 1.361 -12.358 -13.446 1.00 0.00 O ATOM 0 H SER A 117 1.258 -12.319 -11.410 1.00 0.00 H new ATOM 0 HA SER A 117 -1.120 -13.469 -12.247 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.362 -14.431 -13.554 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.047 -13.655 -14.249 1.00 0.00 H new ATOM 0 HG SER A 117 2.193 -12.439 -12.935 1.00 0.00 H new