USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= 0.117 X(o=1.3,f=0.87) USER MOD Set 1.2: A 104 SER OG : rot -25:sc= 1.23 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-0.89) USER MOD Set 2.2: A 83 LYS NZ :NH3+ -165:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0676 (180deg=-0.403) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00957) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 135:sc= 0.0543 (180deg=-0.112) USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= 0.422 (180deg=-0.0334) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.383) USER MOD Single : A 50 MET CE :methyl -158:sc= -5.36! (180deg=-7.25!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0579) USER MOD Single : A 61 GLN : amide:sc= -1.61! X(o=-1.6!,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 157:sc= -0.0506 (180deg=-0.346) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -0.603 K(o=-0.6,f=-4.6!) USER MOD Single : A 70 SER OG : rot -44:sc= 0.00101 USER MOD Single : A 73 TYR OH : rot 54:sc= 0.259 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0654 USER MOD Single : A 77 MET CE :methyl 174:sc= -1.61 (180deg=-1.76) USER MOD Single : A 78 GLN : amide:sc= -0.435 X(o=-0.44,f=-0.00035) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.5!) USER MOD Single : A 90 TYR OH : rot 37:sc= 1.2 USER MOD Single : A 92 CYS SG : rot 140:sc= -2.69! USER MOD Single : A 95 THR OG1 : rot -50:sc= 0.0428 USER MOD Single : A 96 TYR OH : rot -140:sc= -0.6 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot -150:sc= -0.911 USER MOD Single : A 110 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-2.4!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N ILE A 11 10.967 4.374 -0.892 1.00 0.00 N ATOM 125 CA ILE A 11 11.089 5.315 -1.999 1.00 0.00 C ATOM 126 C ILE A 11 9.772 6.041 -2.251 1.00 0.00 C ATOM 127 O ILE A 11 9.662 7.245 -2.024 1.00 0.00 O ATOM 128 CB ILE A 11 11.528 4.607 -3.294 1.00 0.00 C ATOM 129 CG1 ILE A 11 12.970 4.114 -3.168 1.00 0.00 C ATOM 130 CG2 ILE A 11 11.385 5.544 -4.484 1.00 0.00 C ATOM 131 CD1 ILE A 11 13.974 5.227 -2.966 1.00 0.00 C ATOM 0 HA ILE A 11 11.852 6.040 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 11 10.882 3.744 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.036 3.420 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.234 3.556 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.699 5.029 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.344 5.851 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.010 6.424 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.975 4.804 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.936 5.909 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.735 5.771 -2.052 1.00 0.00 H new ATOM 143 N GLU A 12 8.773 5.299 -2.720 1.00 0.00 N ATOM 144 CA GLU A 12 7.463 5.873 -3.002 1.00 0.00 C ATOM 145 C GLU A 12 6.428 5.387 -1.991 1.00 0.00 C ATOM 146 O GLU A 12 6.503 4.261 -1.500 1.00 0.00 O ATOM 147 CB GLU A 12 7.017 5.510 -4.420 1.00 0.00 C ATOM 148 CG GLU A 12 6.101 6.544 -5.054 1.00 0.00 C ATOM 149 CD GLU A 12 6.867 7.651 -5.751 1.00 0.00 C ATOM 150 OE1 GLU A 12 7.918 8.069 -5.223 1.00 0.00 O ATOM 151 OE2 GLU A 12 6.414 8.100 -6.825 1.00 0.00 O ATOM 0 H GLU A 12 8.846 4.300 -2.912 1.00 0.00 H new ATOM 0 HA GLU A 12 7.544 6.957 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.899 5.384 -5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.504 4.549 -4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.446 6.052 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.462 6.978 -4.285 1.00 0.00 H new ATOM 158 N LYS A 13 5.461 6.246 -1.684 1.00 0.00 N ATOM 159 CA LYS A 13 4.410 5.907 -0.733 1.00 0.00 C ATOM 160 C LYS A 13 3.030 6.142 -1.341 1.00 0.00 C ATOM 161 O LYS A 13 2.762 7.178 -1.949 1.00 0.00 O ATOM 162 CB LYS A 13 4.563 6.735 0.545 1.00 0.00 C ATOM 163 CG LYS A 13 5.946 6.642 1.167 1.00 0.00 C ATOM 164 CD LYS A 13 6.316 7.922 1.897 1.00 0.00 C ATOM 165 CE LYS A 13 7.001 8.914 0.969 1.00 0.00 C ATOM 166 NZ LYS A 13 8.474 8.704 0.923 1.00 0.00 N ATOM 0 H LYS A 13 5.384 7.183 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 13 4.505 4.849 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.344 7.779 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.823 6.404 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.978 5.803 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.683 6.439 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.418 8.375 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.976 7.688 2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.589 8.816 -0.035 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.789 9.930 1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.904 9.399 0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.871 8.822 1.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.677 7.743 0.580 1.00 0.00 H new ATOM 180 N PRO A 14 2.133 5.159 -1.172 1.00 0.00 N ATOM 181 CA PRO A 14 0.766 5.237 -1.695 1.00 0.00 C ATOM 182 C PRO A 14 -0.079 6.268 -0.955 1.00 0.00 C ATOM 183 O PRO A 14 -0.410 6.088 0.216 1.00 0.00 O ATOM 184 CB PRO A 14 0.216 3.828 -1.460 1.00 0.00 C ATOM 185 CG PRO A 14 1.013 3.294 -0.321 1.00 0.00 C ATOM 186 CD PRO A 14 2.385 3.896 -0.457 1.00 0.00 C ATOM 0 HA PRO A 14 0.746 5.549 -2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.847 3.853 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.329 3.206 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.561 3.565 0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.059 2.205 -0.354 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.846 4.070 0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.056 3.244 -1.016 1.00 0.00 H new ATOM 194 N GLN A 15 -0.426 7.349 -1.648 1.00 0.00 N ATOM 195 CA GLN A 15 -1.233 8.409 -1.055 1.00 0.00 C ATOM 196 C GLN A 15 -2.719 8.152 -1.281 1.00 0.00 C ATOM 197 O GLN A 15 -3.512 9.087 -1.383 1.00 0.00 O ATOM 198 CB GLN A 15 -0.842 9.766 -1.644 1.00 0.00 C ATOM 199 CG GLN A 15 0.549 10.227 -1.240 1.00 0.00 C ATOM 200 CD GLN A 15 0.781 10.139 0.256 1.00 0.00 C ATOM 201 OE1 GLN A 15 -0.131 10.365 1.051 1.00 0.00 O ATOM 202 NE2 GLN A 15 2.007 9.810 0.646 1.00 0.00 N ATOM 0 H GLN A 15 -0.161 7.513 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.044 8.419 0.018 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.895 9.710 -2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.570 10.513 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.293 9.620 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.696 11.256 -1.567 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.732 9.631 -0.048 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.223 9.736 1.640 1.00 0.00 H new ATOM 211 N GLY A 16 -3.090 6.878 -1.358 1.00 0.00 N ATOM 212 CA GLY A 16 -4.480 6.521 -1.572 1.00 0.00 C ATOM 213 C GLY A 16 -5.149 7.394 -2.615 1.00 0.00 C ATOM 214 O GLY A 16 -4.479 8.119 -3.350 1.00 0.00 O ATOM 0 H GLY A 16 -2.452 6.086 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.540 5.478 -1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.023 6.605 -0.630 1.00 0.00 H new ATOM 218 N GLY A 17 -6.475 7.324 -2.682 1.00 0.00 N ATOM 219 CA GLY A 17 -7.212 8.117 -3.647 1.00 0.00 C ATOM 220 C GLY A 17 -8.706 7.867 -3.583 1.00 0.00 C ATOM 221 O GLY A 17 -9.242 7.527 -2.528 1.00 0.00 O ATOM 0 H GLY A 17 -7.052 6.732 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.016 9.174 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.851 7.890 -4.650 1.00 0.00 H new ATOM 225 N THR A 18 -9.382 8.038 -4.715 1.00 0.00 N ATOM 226 CA THR A 18 -10.823 7.832 -4.783 1.00 0.00 C ATOM 227 C THR A 18 -11.221 7.153 -6.089 1.00 0.00 C ATOM 228 O THR A 18 -10.963 7.674 -7.175 1.00 0.00 O ATOM 229 CB THR A 18 -11.588 9.163 -4.656 1.00 0.00 C ATOM 230 OG1 THR A 18 -11.015 9.959 -3.613 1.00 0.00 O ATOM 231 CG2 THR A 18 -13.060 8.916 -4.362 1.00 0.00 C ATOM 0 H THR A 18 -8.954 8.319 -5.597 1.00 0.00 H new ATOM 0 HA THR A 18 -11.089 7.187 -3.946 1.00 0.00 H new ATOM 0 HB THR A 18 -11.508 9.695 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.506 10.804 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.579 9.871 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.500 8.335 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.157 8.366 -3.426 1.00 0.00 H new ATOM 239 N VAL A 19 -11.851 5.988 -5.978 1.00 0.00 N ATOM 240 CA VAL A 19 -12.286 5.239 -7.151 1.00 0.00 C ATOM 241 C VAL A 19 -13.800 5.062 -7.159 1.00 0.00 C ATOM 242 O VAL A 19 -14.420 4.869 -6.112 1.00 0.00 O ATOM 243 CB VAL A 19 -11.617 3.853 -7.211 1.00 0.00 C ATOM 244 CG1 VAL A 19 -11.952 3.044 -5.968 1.00 0.00 C ATOM 245 CG2 VAL A 19 -12.041 3.112 -8.470 1.00 0.00 C ATOM 0 H VAL A 19 -12.072 5.542 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.986 5.817 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.536 3.991 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.471 2.068 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.594 3.571 -5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.032 2.912 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.559 2.135 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.123 2.983 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.745 3.687 -9.348 1.00 0.00 H new ATOM 255 N LYS A 20 -14.392 5.127 -8.347 1.00 0.00 N ATOM 256 CA LYS A 20 -15.834 4.972 -8.493 1.00 0.00 C ATOM 257 C LYS A 20 -16.244 3.513 -8.320 1.00 0.00 C ATOM 258 O LYS A 20 -15.451 2.602 -8.557 1.00 0.00 O ATOM 259 CB LYS A 20 -16.285 5.480 -9.864 1.00 0.00 C ATOM 260 CG LYS A 20 -17.767 5.810 -9.933 1.00 0.00 C ATOM 261 CD LYS A 20 -18.105 7.034 -9.099 1.00 0.00 C ATOM 262 CE LYS A 20 -17.526 8.301 -9.708 1.00 0.00 C ATOM 263 NZ LYS A 20 -18.092 8.576 -11.058 1.00 0.00 N ATOM 0 H LYS A 20 -13.895 5.286 -9.223 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.319 5.562 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.711 6.371 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.054 4.725 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.054 5.985 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.347 4.957 -9.581 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.187 7.131 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.718 6.905 -8.088 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.729 9.146 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.443 8.207 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.907 9.566 -11.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.647 7.946 -11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.118 8.408 -11.045 1.00 0.00 H new ATOM 277 N VAL A 21 -17.489 3.298 -7.906 1.00 0.00 N ATOM 278 CA VAL A 21 -18.006 1.950 -7.704 1.00 0.00 C ATOM 279 C VAL A 21 -18.015 1.163 -9.010 1.00 0.00 C ATOM 280 O VAL A 21 -18.705 1.526 -9.961 1.00 0.00 O ATOM 281 CB VAL A 21 -19.432 1.977 -7.124 1.00 0.00 C ATOM 282 CG1 VAL A 21 -20.029 0.578 -7.108 1.00 0.00 C ATOM 283 CG2 VAL A 21 -19.428 2.579 -5.727 1.00 0.00 C ATOM 0 H VAL A 21 -18.158 4.041 -7.704 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.342 1.460 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 21 -20.053 2.604 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -21.037 0.617 -6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -20.069 0.188 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -19.410 -0.075 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -20.444 2.590 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -18.792 1.980 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -19.045 3.598 -5.771 1.00 0.00 H new ATOM 293 N GLY A 22 -17.242 0.082 -9.048 1.00 0.00 N ATOM 294 CA GLY A 22 -17.176 -0.740 -10.242 1.00 0.00 C ATOM 295 C GLY A 22 -15.969 -0.418 -11.101 1.00 0.00 C ATOM 296 O GLY A 22 -15.718 -1.086 -12.104 1.00 0.00 O ATOM 0 H GLY A 22 -16.661 -0.239 -8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.144 -1.791 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.084 -0.598 -10.828 1.00 0.00 H new ATOM 300 N GLU A 23 -15.222 0.609 -10.709 1.00 0.00 N ATOM 301 CA GLU A 23 -14.037 1.019 -11.453 1.00 0.00 C ATOM 302 C GLU A 23 -12.810 0.235 -10.996 1.00 0.00 C ATOM 303 O GLU A 23 -12.881 -0.560 -10.059 1.00 0.00 O ATOM 304 CB GLU A 23 -13.792 2.519 -11.279 1.00 0.00 C ATOM 305 CG GLU A 23 -14.528 3.378 -12.293 1.00 0.00 C ATOM 306 CD GLU A 23 -14.109 4.834 -12.239 1.00 0.00 C ATOM 307 OE1 GLU A 23 -13.938 5.361 -11.120 1.00 0.00 O ATOM 308 OE2 GLU A 23 -13.951 5.446 -13.316 1.00 0.00 O ATOM 0 H GLU A 23 -15.416 1.172 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 23 -14.210 0.807 -12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.098 2.814 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.723 2.715 -11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.345 2.988 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -15.601 3.306 -12.114 1.00 0.00 H new ATOM 315 N ASP A 24 -11.685 0.466 -11.665 1.00 0.00 N ATOM 316 CA ASP A 24 -10.441 -0.217 -11.328 1.00 0.00 C ATOM 317 C ASP A 24 -9.356 0.786 -10.949 1.00 0.00 C ATOM 318 O ASP A 24 -9.040 1.694 -11.719 1.00 0.00 O ATOM 319 CB ASP A 24 -9.972 -1.075 -12.504 1.00 0.00 C ATOM 320 CG ASP A 24 -9.381 -0.245 -13.627 1.00 0.00 C ATOM 321 OD1 ASP A 24 -10.161 0.306 -14.431 1.00 0.00 O ATOM 322 OD2 ASP A 24 -8.138 -0.147 -13.702 1.00 0.00 O ATOM 0 H ASP A 24 -11.609 1.121 -12.443 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.630 -0.862 -10.470 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.227 -1.790 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.813 -1.653 -12.887 1.00 0.00 H new ATOM 327 N ILE A 25 -8.791 0.617 -9.758 1.00 0.00 N ATOM 328 CA ILE A 25 -7.742 1.507 -9.278 1.00 0.00 C ATOM 329 C ILE A 25 -6.484 0.727 -8.912 1.00 0.00 C ATOM 330 O ILE A 25 -6.553 -0.444 -8.538 1.00 0.00 O ATOM 331 CB ILE A 25 -8.207 2.315 -8.051 1.00 0.00 C ATOM 332 CG1 ILE A 25 -7.056 3.162 -7.505 1.00 0.00 C ATOM 333 CG2 ILE A 25 -8.743 1.382 -6.975 1.00 0.00 C ATOM 334 CD1 ILE A 25 -7.512 4.306 -6.626 1.00 0.00 C ATOM 0 H ILE A 25 -9.042 -0.128 -9.108 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.516 2.196 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.011 2.984 -8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.383 2.522 -6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.482 3.563 -8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.068 1.967 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -9.588 0.818 -7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.958 0.691 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.644 4.863 -6.275 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.161 4.969 -7.199 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.060 3.911 -5.771 1.00 0.00 H new ATOM 346 N THR A 26 -5.334 1.385 -9.020 1.00 0.00 N ATOM 347 CA THR A 26 -4.060 0.754 -8.700 1.00 0.00 C ATOM 348 C THR A 26 -3.168 1.693 -7.895 1.00 0.00 C ATOM 349 O THR A 26 -2.982 2.854 -8.260 1.00 0.00 O ATOM 350 CB THR A 26 -3.311 0.322 -9.975 1.00 0.00 C ATOM 351 OG1 THR A 26 -4.217 -0.317 -10.882 1.00 0.00 O ATOM 352 CG2 THR A 26 -2.171 -0.627 -9.637 1.00 0.00 C ATOM 0 H THR A 26 -5.259 2.355 -9.327 1.00 0.00 H new ATOM 0 HA THR A 26 -4.286 -0.129 -8.103 1.00 0.00 H new ATOM 0 HB THR A 26 -2.894 1.213 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.734 -0.587 -11.691 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.657 -0.919 -10.553 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.468 -0.128 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.570 -1.515 -9.147 1.00 0.00 H new ATOM 360 N PHE A 27 -2.619 1.183 -6.798 1.00 0.00 N ATOM 361 CA PHE A 27 -1.746 1.977 -5.940 1.00 0.00 C ATOM 362 C PHE A 27 -0.280 1.636 -6.192 1.00 0.00 C ATOM 363 O PHE A 27 0.077 0.470 -6.360 1.00 0.00 O ATOM 364 CB PHE A 27 -2.091 1.742 -4.468 1.00 0.00 C ATOM 365 CG PHE A 27 -3.549 1.924 -4.158 1.00 0.00 C ATOM 366 CD1 PHE A 27 -4.460 0.915 -4.425 1.00 0.00 C ATOM 367 CD2 PHE A 27 -4.009 3.106 -3.599 1.00 0.00 C ATOM 368 CE1 PHE A 27 -5.802 1.080 -4.140 1.00 0.00 C ATOM 369 CE2 PHE A 27 -5.350 3.276 -3.312 1.00 0.00 C ATOM 370 CZ PHE A 27 -6.248 2.263 -3.583 1.00 0.00 C ATOM 0 H PHE A 27 -2.763 0.224 -6.482 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.902 3.029 -6.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.792 0.731 -4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.508 2.428 -3.853 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.117 -0.012 -4.861 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.312 3.903 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.501 0.285 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.696 4.201 -2.876 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.296 2.395 -3.360 1.00 0.00 H new ATOM 380 N ILE A 28 0.564 2.662 -6.216 1.00 0.00 N ATOM 381 CA ILE A 28 1.991 2.472 -6.446 1.00 0.00 C ATOM 382 C ILE A 28 2.762 2.456 -5.131 1.00 0.00 C ATOM 383 O ILE A 28 2.406 3.154 -4.182 1.00 0.00 O ATOM 384 CB ILE A 28 2.567 3.575 -7.353 1.00 0.00 C ATOM 385 CG1 ILE A 28 1.990 3.458 -8.765 1.00 0.00 C ATOM 386 CG2 ILE A 28 4.086 3.494 -7.386 1.00 0.00 C ATOM 387 CD1 ILE A 28 2.357 2.166 -9.462 1.00 0.00 C ATOM 0 H ILE A 28 0.284 3.633 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 28 2.105 1.509 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 28 2.284 4.545 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.904 3.538 -8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.343 4.298 -9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.478 4.280 -8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.479 3.622 -6.378 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.390 2.521 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.914 2.151 -10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.441 2.093 -9.546 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.980 1.322 -8.885 1.00 0.00 H new ATOM 399 N ALA A 29 3.822 1.656 -5.083 1.00 0.00 N ATOM 400 CA ALA A 29 4.647 1.552 -3.885 1.00 0.00 C ATOM 401 C ALA A 29 6.041 1.034 -4.222 1.00 0.00 C ATOM 402 O ALA A 29 6.205 -0.114 -4.636 1.00 0.00 O ATOM 403 CB ALA A 29 3.979 0.646 -2.861 1.00 0.00 C ATOM 0 H ALA A 29 4.130 1.070 -5.859 1.00 0.00 H new ATOM 0 HA ALA A 29 4.752 2.550 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.606 0.578 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.007 1.059 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.844 -0.348 -3.288 1.00 0.00 H new ATOM 409 N LYS A 30 7.043 1.887 -4.044 1.00 0.00 N ATOM 410 CA LYS A 30 8.425 1.517 -4.329 1.00 0.00 C ATOM 411 C LYS A 30 9.248 1.460 -3.046 1.00 0.00 C ATOM 412 O LYS A 30 8.921 2.117 -2.058 1.00 0.00 O ATOM 413 CB LYS A 30 9.051 2.514 -5.306 1.00 0.00 C ATOM 414 CG LYS A 30 8.863 2.136 -6.765 1.00 0.00 C ATOM 415 CD LYS A 30 8.802 3.365 -7.657 1.00 0.00 C ATOM 416 CE LYS A 30 7.384 3.903 -7.768 1.00 0.00 C ATOM 417 NZ LYS A 30 7.174 4.651 -9.038 1.00 0.00 N ATOM 0 H LYS A 30 6.924 2.841 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 30 8.423 0.526 -4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.616 3.499 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.117 2.596 -5.095 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.684 1.494 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.945 1.559 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.456 4.140 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.176 3.114 -8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.676 3.076 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.177 4.558 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.230 5.088 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.898 5.392 -9.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.247 3.996 -9.843 1.00 0.00 H new ATOM 431 N VAL A 31 10.318 0.673 -3.070 1.00 0.00 N ATOM 432 CA VAL A 31 11.190 0.533 -1.909 1.00 0.00 C ATOM 433 C VAL A 31 12.653 0.439 -2.329 1.00 0.00 C ATOM 434 O VAL A 31 12.985 -0.209 -3.322 1.00 0.00 O ATOM 435 CB VAL A 31 10.825 -0.712 -1.080 1.00 0.00 C ATOM 436 CG1 VAL A 31 10.928 -1.970 -1.929 1.00 0.00 C ATOM 437 CG2 VAL A 31 11.717 -0.814 0.149 1.00 0.00 C ATOM 0 H VAL A 31 10.602 0.122 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 31 11.047 1.423 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 31 9.792 -0.613 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.666 -2.839 -1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.243 -1.896 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.948 -2.078 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.445 -1.700 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.759 -0.889 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.587 0.074 0.768 1.00 0.00 H new ATOM 447 N LYS A 32 13.525 1.090 -1.567 1.00 0.00 N ATOM 448 CA LYS A 32 14.953 1.080 -1.857 1.00 0.00 C ATOM 449 C LYS A 32 15.601 -0.206 -1.355 1.00 0.00 C ATOM 450 O LYS A 32 15.598 -0.487 -0.157 1.00 0.00 O ATOM 451 CB LYS A 32 15.634 2.291 -1.215 1.00 0.00 C ATOM 452 CG LYS A 32 16.943 2.677 -1.881 1.00 0.00 C ATOM 453 CD LYS A 32 16.707 3.398 -3.198 1.00 0.00 C ATOM 454 CE LYS A 32 17.849 3.163 -4.175 1.00 0.00 C ATOM 455 NZ LYS A 32 18.919 4.189 -4.034 1.00 0.00 N ATOM 0 H LYS A 32 13.267 1.632 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 32 15.079 1.132 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.953 3.141 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.821 2.077 -0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.518 3.318 -1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.541 1.783 -2.057 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.772 3.054 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.598 4.467 -3.014 1.00 0.00 H new ATOM 0 HE2 LYS A 32 18.272 2.172 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 32 17.464 3.178 -5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 19.679 3.994 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.522 5.132 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.305 4.158 -3.069 1.00 0.00 H new ATOM 469 N ALA A 33 16.157 -0.983 -2.278 1.00 0.00 N ATOM 470 CA ALA A 33 16.812 -2.238 -1.929 1.00 0.00 C ATOM 471 C ALA A 33 18.288 -2.213 -2.313 1.00 0.00 C ATOM 472 O ALA A 33 18.642 -1.827 -3.426 1.00 0.00 O ATOM 473 CB ALA A 33 16.109 -3.406 -2.603 1.00 0.00 C ATOM 0 H ALA A 33 16.167 -0.765 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 33 16.747 -2.364 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.609 -4.336 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.070 -3.444 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 33 16.143 -3.276 -3.685 1.00 0.00 H new ATOM 479 N GLU A 34 19.144 -2.626 -1.383 1.00 0.00 N ATOM 480 CA GLU A 34 20.581 -2.648 -1.625 1.00 0.00 C ATOM 481 C GLU A 34 21.095 -4.082 -1.714 1.00 0.00 C ATOM 482 O GLU A 34 22.208 -4.382 -1.281 1.00 0.00 O ATOM 483 CB GLU A 34 21.320 -1.898 -0.515 1.00 0.00 C ATOM 484 CG GLU A 34 20.833 -0.472 -0.316 1.00 0.00 C ATOM 485 CD GLU A 34 21.563 0.242 0.805 1.00 0.00 C ATOM 486 OE1 GLU A 34 21.854 -0.406 1.832 1.00 0.00 O ATOM 487 OE2 GLU A 34 21.844 1.449 0.655 1.00 0.00 O ATOM 0 H GLU A 34 18.867 -2.949 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 34 20.771 -2.152 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 34 21.206 -2.446 0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 34 22.385 -1.880 -0.746 1.00 0.00 H new ATOM 0 HG2 GLU A 34 20.964 0.086 -1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.765 -0.484 -0.100 1.00 0.00 H new ATOM 494 N ASP A 35 20.277 -4.964 -2.278 1.00 0.00 N ATOM 495 CA ASP A 35 20.648 -6.366 -2.425 1.00 0.00 C ATOM 496 C ASP A 35 19.704 -7.080 -3.388 1.00 0.00 C ATOM 497 O ASP A 35 18.581 -6.630 -3.621 1.00 0.00 O ATOM 498 CB ASP A 35 20.633 -7.065 -1.065 1.00 0.00 C ATOM 499 CG ASP A 35 21.916 -6.844 -0.287 1.00 0.00 C ATOM 500 OD1 ASP A 35 23.000 -6.889 -0.904 1.00 0.00 O ATOM 501 OD2 ASP A 35 21.835 -6.626 0.940 1.00 0.00 O ATOM 0 H ASP A 35 19.352 -4.732 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 35 21.657 -6.408 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 35 19.789 -6.698 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 35 20.479 -8.134 -1.211 1.00 0.00 H new ATOM 506 N LEU A 36 20.166 -8.194 -3.944 1.00 0.00 N ATOM 507 CA LEU A 36 19.364 -8.971 -4.883 1.00 0.00 C ATOM 508 C LEU A 36 19.071 -10.361 -4.329 1.00 0.00 C ATOM 509 O LEU A 36 18.038 -10.959 -4.636 1.00 0.00 O ATOM 510 CB LEU A 36 20.085 -9.086 -6.227 1.00 0.00 C ATOM 511 CG LEU A 36 20.685 -7.793 -6.781 1.00 0.00 C ATOM 512 CD1 LEU A 36 21.288 -8.031 -8.156 1.00 0.00 C ATOM 513 CD2 LEU A 36 19.629 -6.699 -6.841 1.00 0.00 C ATOM 0 H LEU A 36 21.092 -8.580 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 36 18.417 -8.452 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 20.885 -9.820 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 36 19.382 -9.480 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 36 21.480 -7.467 -6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 36 21.710 -7.100 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 36 22.074 -8.783 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 20.513 -8.381 -8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 36 20.073 -5.786 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 36 18.812 -7.017 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 36 19.244 -6.510 -5.839 1.00 0.00 H new ATOM 525 N LEU A 37 19.984 -10.870 -3.509 1.00 0.00 N ATOM 526 CA LEU A 37 19.823 -12.190 -2.909 1.00 0.00 C ATOM 527 C LEU A 37 18.551 -12.255 -2.069 1.00 0.00 C ATOM 528 O LEU A 37 17.910 -13.301 -1.976 1.00 0.00 O ATOM 529 CB LEU A 37 21.037 -12.530 -2.043 1.00 0.00 C ATOM 530 CG LEU A 37 22.335 -12.826 -2.795 1.00 0.00 C ATOM 531 CD1 LEU A 37 22.559 -11.802 -3.897 1.00 0.00 C ATOM 532 CD2 LEU A 37 23.515 -12.844 -1.834 1.00 0.00 C ATOM 0 H LEU A 37 20.843 -10.389 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 37 19.743 -12.920 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 37 21.217 -11.698 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.790 -13.397 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 37 22.250 -13.811 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.487 -12.029 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 37 21.727 -11.837 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.623 -10.805 -3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 37 24.431 -13.056 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 37 23.602 -11.873 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 23.359 -13.616 -1.080 1.00 0.00 H new ATOM 544 N ARG A 38 18.191 -11.129 -1.462 1.00 0.00 N ATOM 545 CA ARG A 38 16.995 -11.058 -0.631 1.00 0.00 C ATOM 546 C ARG A 38 15.910 -10.227 -1.309 1.00 0.00 C ATOM 547 O ARG A 38 16.190 -9.439 -2.213 1.00 0.00 O ATOM 548 CB ARG A 38 17.333 -10.457 0.735 1.00 0.00 C ATOM 549 CG ARG A 38 18.623 -10.993 1.335 1.00 0.00 C ATOM 550 CD ARG A 38 18.389 -12.293 2.087 1.00 0.00 C ATOM 551 NE ARG A 38 19.640 -12.980 2.396 1.00 0.00 N ATOM 552 CZ ARG A 38 20.427 -12.652 3.415 1.00 0.00 C ATOM 553 NH1 ARG A 38 20.092 -11.653 4.220 1.00 0.00 N ATOM 554 NH2 ARG A 38 21.550 -13.325 3.631 1.00 0.00 N ATOM 0 H ARG A 38 18.710 -10.254 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 38 16.619 -12.072 -0.492 1.00 0.00 H new ATOM 0 HB2 ARG A 38 17.411 -9.374 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 38 16.512 -10.657 1.423 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.354 -11.156 0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 38 19.047 -10.251 2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.852 -12.085 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.754 -12.948 1.490 1.00 0.00 H new ATOM 0 HE ARG A 38 19.925 -13.754 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.229 -11.135 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 38 20.698 -11.403 5.002 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.810 -14.095 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.153 -13.072 4.414 1.00 0.00 H new ATOM 568 N LYS A 39 14.670 -10.409 -0.868 1.00 0.00 N ATOM 569 CA LYS A 39 13.542 -9.677 -1.431 1.00 0.00 C ATOM 570 C LYS A 39 12.565 -9.258 -0.338 1.00 0.00 C ATOM 571 O LYS A 39 12.100 -10.074 0.459 1.00 0.00 O ATOM 572 CB LYS A 39 12.820 -10.535 -2.473 1.00 0.00 C ATOM 573 CG LYS A 39 11.514 -9.931 -2.959 1.00 0.00 C ATOM 574 CD LYS A 39 10.679 -10.946 -3.721 1.00 0.00 C ATOM 575 CE LYS A 39 11.388 -11.414 -4.984 1.00 0.00 C ATOM 576 NZ LYS A 39 10.506 -12.263 -5.832 1.00 0.00 N ATOM 0 H LYS A 39 14.421 -11.058 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 39 13.928 -8.779 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.480 -10.687 -3.327 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.619 -11.518 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.946 -9.557 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.724 -9.076 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.471 -11.803 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.718 -10.504 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.719 -10.548 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.281 -11.976 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.025 -12.562 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.211 -13.103 -5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.666 -11.718 -6.113 1.00 0.00 H new ATOM 590 N PRO A 40 12.243 -7.957 -0.298 1.00 0.00 N ATOM 591 CA PRO A 40 11.316 -7.400 0.693 1.00 0.00 C ATOM 592 C PRO A 40 9.878 -7.850 0.457 1.00 0.00 C ATOM 593 O PRO A 40 9.350 -7.724 -0.648 1.00 0.00 O ATOM 594 CB PRO A 40 11.444 -5.889 0.489 1.00 0.00 C ATOM 595 CG PRO A 40 11.893 -5.734 -0.923 1.00 0.00 C ATOM 596 CD PRO A 40 12.758 -6.928 -1.216 1.00 0.00 C ATOM 0 HA PRO A 40 11.555 -7.728 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.493 -5.385 0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.164 -5.455 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.041 -5.694 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.450 -4.807 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.673 -7.240 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.811 -6.716 -1.032 1.00 0.00 H new ATOM 604 N THR A 41 9.247 -8.373 1.504 1.00 0.00 N ATOM 605 CA THR A 41 7.870 -8.842 1.411 1.00 0.00 C ATOM 606 C THR A 41 6.888 -7.742 1.796 1.00 0.00 C ATOM 607 O THR A 41 7.034 -7.105 2.840 1.00 0.00 O ATOM 608 CB THR A 41 7.631 -10.067 2.313 1.00 0.00 C ATOM 609 OG1 THR A 41 8.613 -11.074 2.042 1.00 0.00 O ATOM 610 CG2 THR A 41 6.238 -10.637 2.094 1.00 0.00 C ATOM 0 H THR A 41 9.668 -8.482 2.427 1.00 0.00 H new ATOM 0 HA THR A 41 7.703 -9.128 0.372 1.00 0.00 H new ATOM 0 HB THR A 41 7.716 -9.748 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.455 -11.849 2.621 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.093 -11.501 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.493 -9.877 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.129 -10.941 1.053 1.00 0.00 H new ATOM 618 N ILE A 42 5.888 -7.524 0.949 1.00 0.00 N ATOM 619 CA ILE A 42 4.881 -6.502 1.203 1.00 0.00 C ATOM 620 C ILE A 42 3.558 -7.128 1.633 1.00 0.00 C ATOM 621 O ILE A 42 3.235 -8.251 1.245 1.00 0.00 O ATOM 622 CB ILE A 42 4.641 -5.626 -0.041 1.00 0.00 C ATOM 623 CG1 ILE A 42 3.656 -4.501 0.282 1.00 0.00 C ATOM 624 CG2 ILE A 42 4.125 -6.474 -1.194 1.00 0.00 C ATOM 625 CD1 ILE A 42 3.881 -3.248 -0.535 1.00 0.00 C ATOM 0 H ILE A 42 5.754 -8.042 0.081 1.00 0.00 H new ATOM 0 HA ILE A 42 5.263 -5.876 2.010 1.00 0.00 H new ATOM 0 HB ILE A 42 5.589 -5.178 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.640 -4.858 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.734 -4.254 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.960 -5.841 -2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.859 -7.243 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.186 -6.947 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.147 -2.493 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.885 -2.866 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.774 -3.480 -1.595 1.00 0.00 H new ATOM 637 N LYS A 43 2.795 -6.393 2.435 1.00 0.00 N ATOM 638 CA LYS A 43 1.505 -6.873 2.916 1.00 0.00 C ATOM 639 C LYS A 43 0.506 -5.726 3.029 1.00 0.00 C ATOM 640 O LYS A 43 0.699 -4.799 3.815 1.00 0.00 O ATOM 641 CB LYS A 43 1.668 -7.559 4.274 1.00 0.00 C ATOM 642 CG LYS A 43 0.415 -8.276 4.746 1.00 0.00 C ATOM 643 CD LYS A 43 0.390 -9.722 4.279 1.00 0.00 C ATOM 644 CE LYS A 43 1.083 -10.641 5.274 1.00 0.00 C ATOM 645 NZ LYS A 43 0.215 -10.947 6.444 1.00 0.00 N ATOM 0 H LYS A 43 3.048 -5.462 2.766 1.00 0.00 H new ATOM 0 HA LYS A 43 1.121 -7.595 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.486 -8.276 4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.952 -6.813 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.364 -8.243 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.466 -7.756 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.643 -10.044 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.879 -9.800 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.363 -11.570 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.005 -10.174 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.261 -11.965 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.544 -10.408 7.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.767 -10.682 6.226 1.00 0.00 H new ATOM 659 N TRP A 44 -0.561 -5.797 2.242 1.00 0.00 N ATOM 660 CA TRP A 44 -1.591 -4.765 2.256 1.00 0.00 C ATOM 661 C TRP A 44 -2.662 -5.079 3.295 1.00 0.00 C ATOM 662 O TRP A 44 -3.038 -6.236 3.482 1.00 0.00 O ATOM 663 CB TRP A 44 -2.229 -4.633 0.872 1.00 0.00 C ATOM 664 CG TRP A 44 -1.238 -4.339 -0.213 1.00 0.00 C ATOM 665 CD1 TRP A 44 -0.444 -5.241 -0.864 1.00 0.00 C ATOM 666 CD2 TRP A 44 -0.933 -3.057 -0.772 1.00 0.00 C ATOM 667 NE1 TRP A 44 0.335 -4.595 -1.794 1.00 0.00 N ATOM 668 CE2 TRP A 44 0.053 -3.256 -1.758 1.00 0.00 C ATOM 669 CE3 TRP A 44 -1.400 -1.761 -0.538 1.00 0.00 C ATOM 670 CZ2 TRP A 44 0.581 -2.206 -2.505 1.00 0.00 C ATOM 671 CZ3 TRP A 44 -0.875 -0.720 -1.280 1.00 0.00 C ATOM 672 CH2 TRP A 44 0.106 -0.947 -2.254 1.00 0.00 C ATOM 0 H TRP A 44 -0.736 -6.558 1.586 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.119 -3.819 2.522 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.755 -5.557 0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.975 -3.839 0.898 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.431 -6.304 -0.676 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.014 -5.041 -2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.158 -1.576 0.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.338 -2.379 -3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.227 0.286 -1.106 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.495 -0.112 -2.818 1.00 0.00 H new ATOM 683 N PHE A 45 -3.150 -4.042 3.968 1.00 0.00 N ATOM 684 CA PHE A 45 -4.177 -4.208 4.989 1.00 0.00 C ATOM 685 C PHE A 45 -5.261 -3.143 4.848 1.00 0.00 C ATOM 686 O PHE A 45 -5.168 -2.253 4.002 1.00 0.00 O ATOM 687 CB PHE A 45 -3.555 -4.138 6.385 1.00 0.00 C ATOM 688 CG PHE A 45 -2.770 -5.364 6.753 1.00 0.00 C ATOM 689 CD1 PHE A 45 -3.414 -6.512 7.185 1.00 0.00 C ATOM 690 CD2 PHE A 45 -1.387 -5.368 6.668 1.00 0.00 C ATOM 691 CE1 PHE A 45 -2.694 -7.642 7.525 1.00 0.00 C ATOM 692 CE2 PHE A 45 -0.661 -6.495 7.005 1.00 0.00 C ATOM 693 CZ PHE A 45 -1.316 -7.633 7.436 1.00 0.00 C ATOM 0 H PHE A 45 -2.850 -3.078 3.824 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.635 -5.188 4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.901 -3.268 6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.346 -3.989 7.120 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.492 -6.524 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.870 -4.480 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.208 -8.531 7.860 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.416 -6.486 6.932 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.751 -8.514 7.703 1.00 0.00 H new ATOM 703 N LYS A 46 -6.290 -3.240 5.684 1.00 0.00 N ATOM 704 CA LYS A 46 -7.392 -2.286 5.655 1.00 0.00 C ATOM 705 C LYS A 46 -8.251 -2.410 6.910 1.00 0.00 C ATOM 706 O LYS A 46 -8.329 -3.476 7.517 1.00 0.00 O ATOM 707 CB LYS A 46 -8.254 -2.508 4.410 1.00 0.00 C ATOM 708 CG LYS A 46 -9.668 -1.972 4.546 1.00 0.00 C ATOM 709 CD LYS A 46 -10.237 -1.551 3.202 1.00 0.00 C ATOM 710 CE LYS A 46 -11.335 -0.510 3.362 1.00 0.00 C ATOM 711 NZ LYS A 46 -12.441 -1.001 4.230 1.00 0.00 N ATOM 0 H LYS A 46 -6.383 -3.970 6.390 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.970 -1.282 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.774 -2.030 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.298 -3.576 4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.307 -2.736 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.671 -1.120 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.439 -1.147 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.635 -2.424 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.914 0.400 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.732 -0.247 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.327 -1.019 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.220 -1.961 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.549 -0.367 5.047 1.00 0.00 H new ATOM 725 N GLY A 47 -8.895 -1.311 7.291 1.00 0.00 N ATOM 726 CA GLY A 47 -9.741 -1.319 8.470 1.00 0.00 C ATOM 727 C GLY A 47 -8.946 -1.463 9.753 1.00 0.00 C ATOM 728 O GLY A 47 -7.972 -0.743 9.973 1.00 0.00 O ATOM 0 H GLY A 47 -8.846 -0.416 6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.318 -0.395 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.456 -2.139 8.395 1.00 0.00 H new ATOM 732 N LYS A 48 -9.364 -2.394 10.604 1.00 0.00 N ATOM 733 CA LYS A 48 -8.685 -2.631 11.873 1.00 0.00 C ATOM 734 C LYS A 48 -7.844 -3.902 11.811 1.00 0.00 C ATOM 735 O LYS A 48 -6.642 -3.875 12.077 1.00 0.00 O ATOM 736 CB LYS A 48 -9.705 -2.736 13.008 1.00 0.00 C ATOM 737 CG LYS A 48 -9.106 -2.515 14.387 1.00 0.00 C ATOM 738 CD LYS A 48 -10.184 -2.391 15.450 1.00 0.00 C ATOM 739 CE LYS A 48 -10.576 -0.940 15.681 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.730 -0.535 14.833 1.00 0.00 N ATOM 0 H LYS A 48 -10.170 -2.997 10.438 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.022 -1.787 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.496 -2.004 12.843 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.170 -3.721 12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.444 -3.345 14.634 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.496 -1.612 14.379 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.062 -2.962 15.148 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.827 -2.825 16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.829 -0.795 16.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.724 -0.295 15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.179 0.310 15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.396 -0.322 13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.422 -1.310 14.795 1.00 0.00 H new ATOM 754 N TRP A 49 -8.483 -5.011 11.457 1.00 0.00 N ATOM 755 CA TRP A 49 -7.792 -6.292 11.359 1.00 0.00 C ATOM 756 C TRP A 49 -8.145 -7.003 10.057 1.00 0.00 C ATOM 757 O TRP A 49 -8.316 -8.221 10.031 1.00 0.00 O ATOM 758 CB TRP A 49 -8.149 -7.180 12.552 1.00 0.00 C ATOM 759 CG TRP A 49 -8.206 -6.434 13.851 1.00 0.00 C ATOM 760 CD1 TRP A 49 -9.322 -5.939 14.464 1.00 0.00 C ATOM 761 CD2 TRP A 49 -7.100 -6.098 14.696 1.00 0.00 C ATOM 762 NE1 TRP A 49 -8.975 -5.316 15.638 1.00 0.00 N ATOM 763 CE2 TRP A 49 -7.618 -5.400 15.804 1.00 0.00 C ATOM 764 CE3 TRP A 49 -5.722 -6.321 14.625 1.00 0.00 C ATOM 765 CZ2 TRP A 49 -6.806 -4.923 16.829 1.00 0.00 C ATOM 766 CZ3 TRP A 49 -4.917 -5.847 15.643 1.00 0.00 C ATOM 767 CH2 TRP A 49 -5.461 -5.155 16.734 1.00 0.00 C ATOM 0 H TRP A 49 -9.477 -5.049 11.233 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.719 -6.099 11.367 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -9.115 -7.651 12.369 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.414 -7.981 12.633 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -10.329 -6.025 14.082 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.623 -4.864 16.282 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -5.294 -6.854 13.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -7.223 -4.389 17.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.851 -6.012 15.597 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.806 -4.798 17.515 1.00 0.00 H new ATOM 778 N MET A 50 -8.253 -6.234 8.979 1.00 0.00 N ATOM 779 CA MET A 50 -8.584 -6.792 7.673 1.00 0.00 C ATOM 780 C MET A 50 -7.333 -6.948 6.815 1.00 0.00 C ATOM 781 O MET A 50 -6.598 -5.986 6.591 1.00 0.00 O ATOM 782 CB MET A 50 -9.600 -5.900 6.956 1.00 0.00 C ATOM 783 CG MET A 50 -10.546 -6.666 6.046 1.00 0.00 C ATOM 784 SD MET A 50 -11.508 -5.582 4.973 1.00 0.00 S ATOM 785 CE MET A 50 -10.466 -5.536 3.517 1.00 0.00 C ATOM 0 H MET A 50 -8.116 -5.223 8.984 1.00 0.00 H new ATOM 0 HA MET A 50 -9.022 -7.778 7.828 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.184 -5.358 7.700 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.065 -5.155 6.366 1.00 0.00 H new ATOM 0 HG2 MET A 50 -9.971 -7.361 5.433 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.225 -7.264 6.654 1.00 0.00 H new ATOM 0 HE1 MET A 50 -10.693 -4.642 2.935 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.419 -5.516 3.819 1.00 0.00 H new ATOM 0 HE3 MET A 50 -10.651 -6.421 2.909 1.00 0.00 H new ATOM 795 N ASP A 51 -7.097 -8.165 6.337 1.00 0.00 N ATOM 796 CA ASP A 51 -5.934 -8.447 5.503 1.00 0.00 C ATOM 797 C ASP A 51 -6.334 -8.566 4.036 1.00 0.00 C ATOM 798 O ASP A 51 -6.852 -9.596 3.604 1.00 0.00 O ATOM 799 CB ASP A 51 -5.250 -9.735 5.964 1.00 0.00 C ATOM 800 CG ASP A 51 -4.020 -10.063 5.140 1.00 0.00 C ATOM 801 OD1 ASP A 51 -4.164 -10.276 3.918 1.00 0.00 O ATOM 802 OD2 ASP A 51 -2.913 -10.108 5.718 1.00 0.00 O ATOM 0 H ASP A 51 -7.696 -8.972 6.513 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.235 -7.617 5.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.967 -9.638 7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.958 -10.562 5.901 1.00 0.00 H new ATOM 807 N LEU A 52 -6.091 -7.504 3.274 1.00 0.00 N ATOM 808 CA LEU A 52 -6.427 -7.488 1.855 1.00 0.00 C ATOM 809 C LEU A 52 -5.698 -8.602 1.110 1.00 0.00 C ATOM 810 O LEU A 52 -6.187 -9.112 0.102 1.00 0.00 O ATOM 811 CB LEU A 52 -6.073 -6.132 1.242 1.00 0.00 C ATOM 812 CG LEU A 52 -6.720 -4.911 1.895 1.00 0.00 C ATOM 813 CD1 LEU A 52 -6.143 -3.628 1.318 1.00 0.00 C ATOM 814 CD2 LEU A 52 -8.231 -4.947 1.713 1.00 0.00 C ATOM 0 H LEU A 52 -5.663 -6.644 3.616 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.500 -7.654 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.991 -6.009 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.354 -6.147 0.189 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.501 -4.935 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.616 -2.770 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.069 -3.598 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.330 -3.595 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.675 -4.070 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.469 -4.947 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.632 -5.849 2.175 1.00 0.00 H new ATOM 826 N ALA A 53 -4.527 -8.976 1.615 1.00 0.00 N ATOM 827 CA ALA A 53 -3.733 -10.033 1.000 1.00 0.00 C ATOM 828 C ALA A 53 -4.582 -11.269 0.726 1.00 0.00 C ATOM 829 O ALA A 53 -4.677 -11.727 -0.413 1.00 0.00 O ATOM 830 CB ALA A 53 -2.550 -10.389 1.890 1.00 0.00 C ATOM 0 H ALA A 53 -4.107 -8.563 2.448 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.358 -9.664 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.965 -11.179 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.923 -9.509 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.914 -10.734 2.858 1.00 0.00 H new ATOM 836 N SER A 54 -5.196 -11.805 1.775 1.00 0.00 N ATOM 837 CA SER A 54 -6.034 -12.991 1.647 1.00 0.00 C ATOM 838 C SER A 54 -7.319 -12.670 0.890 1.00 0.00 C ATOM 839 O SER A 54 -7.952 -13.554 0.314 1.00 0.00 O ATOM 840 CB SER A 54 -6.370 -13.555 3.029 1.00 0.00 C ATOM 841 OG SER A 54 -5.357 -13.241 3.969 1.00 0.00 O ATOM 0 H SER A 54 -5.129 -11.437 2.724 1.00 0.00 H new ATOM 0 HA SER A 54 -5.478 -13.739 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.323 -13.150 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.488 -14.637 2.965 1.00 0.00 H new ATOM 0 HG SER A 54 -5.597 -13.611 4.844 1.00 0.00 H new ATOM 847 N LYS A 55 -7.699 -11.397 0.897 1.00 0.00 N ATOM 848 CA LYS A 55 -8.908 -10.955 0.211 1.00 0.00 C ATOM 849 C LYS A 55 -8.720 -10.995 -1.302 1.00 0.00 C ATOM 850 O LYS A 55 -9.664 -11.257 -2.047 1.00 0.00 O ATOM 851 CB LYS A 55 -9.280 -9.537 0.652 1.00 0.00 C ATOM 852 CG LYS A 55 -9.557 -9.416 2.140 1.00 0.00 C ATOM 853 CD LYS A 55 -10.929 -9.964 2.499 1.00 0.00 C ATOM 854 CE LYS A 55 -11.456 -9.348 3.785 1.00 0.00 C ATOM 855 NZ LYS A 55 -10.927 -10.045 4.991 1.00 0.00 N ATOM 0 H LYS A 55 -7.187 -10.653 1.370 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.717 -11.636 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.470 -8.858 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.162 -9.213 0.099 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.792 -9.955 2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.493 -8.370 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.626 -9.763 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -10.872 -11.047 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.179 -8.295 3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.545 -9.391 3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.309 -9.596 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.213 -11.045 4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.889 -9.982 5.001 1.00 0.00 H new ATOM 869 N ALA A 56 -7.496 -10.736 -1.749 1.00 0.00 N ATOM 870 CA ALA A 56 -7.184 -10.747 -3.173 1.00 0.00 C ATOM 871 C ALA A 56 -7.581 -12.073 -3.812 1.00 0.00 C ATOM 872 O ALA A 56 -7.053 -13.126 -3.459 1.00 0.00 O ATOM 873 CB ALA A 56 -5.703 -10.476 -3.391 1.00 0.00 C ATOM 0 H ALA A 56 -6.704 -10.516 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.761 -9.956 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.484 -10.487 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.447 -9.500 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.115 -11.246 -2.892 1.00 0.00 H new ATOM 879 N GLY A 57 -8.517 -12.014 -4.755 1.00 0.00 N ATOM 880 CA GLY A 57 -8.969 -13.218 -5.427 1.00 0.00 C ATOM 881 C GLY A 57 -9.463 -12.945 -6.834 1.00 0.00 C ATOM 882 O GLY A 57 -8.794 -13.281 -7.812 1.00 0.00 O ATOM 0 H GLY A 57 -8.970 -11.154 -5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.151 -13.938 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.770 -13.676 -4.846 1.00 0.00 H new ATOM 886 N LYS A 58 -10.639 -12.335 -6.939 1.00 0.00 N ATOM 887 CA LYS A 58 -11.224 -12.017 -8.237 1.00 0.00 C ATOM 888 C LYS A 58 -11.445 -10.515 -8.380 1.00 0.00 C ATOM 889 O LYS A 58 -10.974 -9.897 -9.336 1.00 0.00 O ATOM 890 CB LYS A 58 -12.550 -12.759 -8.417 1.00 0.00 C ATOM 891 CG LYS A 58 -12.860 -13.108 -9.862 1.00 0.00 C ATOM 892 CD LYS A 58 -14.358 -13.142 -10.118 1.00 0.00 C ATOM 893 CE LYS A 58 -14.973 -14.454 -9.655 1.00 0.00 C ATOM 894 NZ LYS A 58 -14.655 -15.574 -10.583 1.00 0.00 N ATOM 0 H LYS A 58 -11.206 -12.051 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.527 -12.339 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.527 -13.676 -7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.358 -12.144 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.394 -12.377 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.426 -14.078 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.836 -12.312 -9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.550 -13.005 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.607 -14.694 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.054 -14.341 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.225 -16.406 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.872 -15.288 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.645 -15.811 -10.508 1.00 0.00 H new ATOM 908 N HIS A 59 -12.163 -9.933 -7.425 1.00 0.00 N ATOM 909 CA HIS A 59 -12.445 -8.502 -7.445 1.00 0.00 C ATOM 910 C HIS A 59 -11.180 -7.696 -7.168 1.00 0.00 C ATOM 911 O HIS A 59 -11.020 -6.581 -7.666 1.00 0.00 O ATOM 912 CB HIS A 59 -13.519 -8.158 -6.412 1.00 0.00 C ATOM 913 CG HIS A 59 -14.850 -8.779 -6.703 1.00 0.00 C ATOM 914 ND1 HIS A 59 -15.624 -8.428 -7.789 1.00 0.00 N ATOM 915 CD2 HIS A 59 -15.544 -9.736 -6.043 1.00 0.00 C ATOM 916 CE1 HIS A 59 -16.736 -9.140 -7.783 1.00 0.00 C ATOM 917 NE2 HIS A 59 -16.712 -9.942 -6.734 1.00 0.00 N ATOM 0 H HIS A 59 -12.560 -10.430 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.811 -8.242 -8.438 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.183 -8.484 -5.428 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.635 -7.075 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.236 -10.243 -5.141 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -17.530 -9.077 -8.512 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -17.443 -10.606 -6.479 1.00 0.00 H new ATOM 926 N LEU A 60 -10.283 -8.266 -6.371 1.00 0.00 N ATOM 927 CA LEU A 60 -9.031 -7.600 -6.028 1.00 0.00 C ATOM 928 C LEU A 60 -7.833 -8.395 -6.536 1.00 0.00 C ATOM 929 O LEU A 60 -7.850 -9.626 -6.538 1.00 0.00 O ATOM 930 CB LEU A 60 -8.928 -7.414 -4.513 1.00 0.00 C ATOM 931 CG LEU A 60 -7.574 -6.939 -3.985 1.00 0.00 C ATOM 932 CD1 LEU A 60 -7.525 -5.420 -3.933 1.00 0.00 C ATOM 933 CD2 LEU A 60 -7.300 -7.530 -2.610 1.00 0.00 C ATOM 0 H LEU A 60 -10.399 -9.188 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.025 -6.622 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.688 -6.697 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.170 -8.363 -4.033 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.798 -7.285 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.554 -5.100 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.675 -5.017 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.311 -5.053 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.332 -7.181 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.080 -7.215 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.291 -8.618 -2.677 1.00 0.00 H new ATOM 945 N GLN A 61 -6.796 -7.683 -6.966 1.00 0.00 N ATOM 946 CA GLN A 61 -5.589 -8.324 -7.475 1.00 0.00 C ATOM 947 C GLN A 61 -4.358 -7.470 -7.190 1.00 0.00 C ATOM 948 O GLN A 61 -4.285 -6.311 -7.600 1.00 0.00 O ATOM 949 CB GLN A 61 -5.715 -8.573 -8.979 1.00 0.00 C ATOM 950 CG GLN A 61 -6.836 -9.531 -9.346 1.00 0.00 C ATOM 951 CD GLN A 61 -6.437 -10.985 -9.185 1.00 0.00 C ATOM 952 OE1 GLN A 61 -5.626 -11.506 -9.952 1.00 0.00 O ATOM 953 NE2 GLN A 61 -7.006 -11.649 -8.186 1.00 0.00 N ATOM 0 H GLN A 61 -6.767 -6.663 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.472 -9.280 -6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.882 -7.621 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.772 -8.971 -9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.704 -9.325 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.138 -9.353 -10.378 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.673 -11.178 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.776 -12.630 -8.030 1.00 0.00 H new ATOM 962 N LEU A 62 -3.393 -8.050 -6.485 1.00 0.00 N ATOM 963 CA LEU A 62 -2.164 -7.342 -6.145 1.00 0.00 C ATOM 964 C LEU A 62 -1.091 -7.572 -7.205 1.00 0.00 C ATOM 965 O LEU A 62 -1.188 -8.498 -8.011 1.00 0.00 O ATOM 966 CB LEU A 62 -1.651 -7.798 -4.777 1.00 0.00 C ATOM 967 CG LEU A 62 -2.707 -7.948 -3.681 1.00 0.00 C ATOM 968 CD1 LEU A 62 -2.122 -8.661 -2.472 1.00 0.00 C ATOM 969 CD2 LEU A 62 -3.262 -6.588 -3.285 1.00 0.00 C ATOM 0 H LEU A 62 -3.438 -9.008 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.387 -6.276 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.146 -8.756 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.901 -7.084 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.526 -8.551 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.887 -8.759 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.775 -9.651 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.284 -8.084 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.012 -6.714 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.453 -5.959 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.719 -6.115 -4.154 1.00 0.00 H new ATOM 981 N LYS A 63 -0.068 -6.725 -7.197 1.00 0.00 N ATOM 982 CA LYS A 63 1.026 -6.836 -8.155 1.00 0.00 C ATOM 983 C LYS A 63 2.373 -6.627 -7.470 1.00 0.00 C ATOM 984 O LYS A 63 2.470 -5.899 -6.483 1.00 0.00 O ATOM 985 CB LYS A 63 0.851 -5.815 -9.281 1.00 0.00 C ATOM 986 CG LYS A 63 1.246 -6.345 -10.649 1.00 0.00 C ATOM 987 CD LYS A 63 0.046 -6.898 -11.401 1.00 0.00 C ATOM 988 CE LYS A 63 -0.610 -5.832 -12.265 1.00 0.00 C ATOM 989 NZ LYS A 63 0.265 -5.421 -13.398 1.00 0.00 N ATOM 0 H LYS A 63 0.027 -5.953 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 63 1.005 -7.841 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.191 -5.495 -9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.449 -4.932 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.705 -5.546 -11.231 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.997 -7.127 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.361 -7.733 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.681 -7.290 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.555 -6.211 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.844 -4.961 -11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.318 -5.017 -14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.947 -4.708 -13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.778 -6.251 -13.759 1.00 0.00 H new ATOM 1003 N GLU A 64 3.408 -7.271 -8.001 1.00 0.00 N ATOM 1004 CA GLU A 64 4.749 -7.154 -7.440 1.00 0.00 C ATOM 1005 C GLU A 64 5.808 -7.285 -8.530 1.00 0.00 C ATOM 1006 O GLU A 64 5.755 -8.196 -9.358 1.00 0.00 O ATOM 1007 CB GLU A 64 4.971 -8.221 -6.366 1.00 0.00 C ATOM 1008 CG GLU A 64 6.437 -8.519 -6.098 1.00 0.00 C ATOM 1009 CD GLU A 64 7.017 -9.519 -7.079 1.00 0.00 C ATOM 1010 OE1 GLU A 64 6.867 -10.736 -6.844 1.00 0.00 O ATOM 1011 OE2 GLU A 64 7.622 -9.084 -8.081 1.00 0.00 O ATOM 0 H GLU A 64 3.344 -7.878 -8.818 1.00 0.00 H new ATOM 0 HA GLU A 64 4.841 -6.167 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.500 -7.895 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.472 -9.141 -6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.008 -7.592 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.546 -8.905 -5.084 1.00 0.00 H new ATOM 1018 N THR A 65 6.771 -6.369 -8.525 1.00 0.00 N ATOM 1019 CA THR A 65 7.842 -6.380 -9.513 1.00 0.00 C ATOM 1020 C THR A 65 9.139 -5.836 -8.925 1.00 0.00 C ATOM 1021 O THR A 65 9.125 -5.112 -7.929 1.00 0.00 O ATOM 1022 CB THR A 65 7.468 -5.550 -10.756 1.00 0.00 C ATOM 1023 OG1 THR A 65 8.336 -5.882 -11.846 1.00 0.00 O ATOM 1024 CG2 THR A 65 7.563 -4.061 -10.462 1.00 0.00 C ATOM 0 H THR A 65 6.831 -5.609 -7.847 1.00 0.00 H new ATOM 0 HA THR A 65 7.988 -7.419 -9.809 1.00 0.00 H new ATOM 0 HB THR A 65 6.439 -5.786 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.091 -5.352 -12.633 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.294 -3.496 -11.355 1.00 0.00 H new ATOM 0 HG22 THR A 65 6.880 -3.806 -9.652 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.583 -3.812 -10.169 1.00 0.00 H new ATOM 1032 N PHE A 66 10.259 -6.189 -9.547 1.00 0.00 N ATOM 1033 CA PHE A 66 11.566 -5.736 -9.084 1.00 0.00 C ATOM 1034 C PHE A 66 12.371 -5.135 -10.232 1.00 0.00 C ATOM 1035 O PHE A 66 12.177 -5.492 -11.393 1.00 0.00 O ATOM 1036 CB PHE A 66 12.339 -6.898 -8.457 1.00 0.00 C ATOM 1037 CG PHE A 66 13.784 -6.584 -8.195 1.00 0.00 C ATOM 1038 CD1 PHE A 66 14.139 -5.558 -7.334 1.00 0.00 C ATOM 1039 CD2 PHE A 66 14.788 -7.315 -8.809 1.00 0.00 C ATOM 1040 CE1 PHE A 66 15.467 -5.266 -7.090 1.00 0.00 C ATOM 1041 CE2 PHE A 66 16.119 -7.029 -8.568 1.00 0.00 C ATOM 1042 CZ PHE A 66 16.459 -6.002 -7.709 1.00 0.00 C ATOM 0 H PHE A 66 10.288 -6.787 -10.373 1.00 0.00 H new ATOM 0 HA PHE A 66 11.410 -4.964 -8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.860 -7.178 -7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.277 -7.763 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.368 -4.979 -6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.528 -8.117 -9.484 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.729 -4.464 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.892 -7.608 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.498 -5.775 -7.522 1.00 0.00 H new ATOM 1052 N GLU A 67 13.275 -4.220 -9.897 1.00 0.00 N ATOM 1053 CA GLU A 67 14.109 -3.568 -10.900 1.00 0.00 C ATOM 1054 C GLU A 67 15.581 -3.618 -10.500 1.00 0.00 C ATOM 1055 O GLU A 67 16.071 -2.745 -9.784 1.00 0.00 O ATOM 1056 CB GLU A 67 13.671 -2.114 -11.093 1.00 0.00 C ATOM 1057 CG GLU A 67 12.369 -1.968 -11.863 1.00 0.00 C ATOM 1058 CD GLU A 67 12.067 -0.528 -12.229 1.00 0.00 C ATOM 1059 OE1 GLU A 67 11.513 0.198 -11.378 1.00 0.00 O ATOM 1060 OE2 GLU A 67 12.385 -0.127 -13.369 1.00 0.00 O ATOM 0 H GLU A 67 13.449 -3.914 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 67 13.987 -4.105 -11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.560 -1.644 -10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.457 -1.573 -11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.420 -2.567 -12.772 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.550 -2.366 -11.264 1.00 0.00 H new ATOM 1067 N ARG A 68 16.280 -4.647 -10.968 1.00 0.00 N ATOM 1068 CA ARG A 68 17.695 -4.813 -10.659 1.00 0.00 C ATOM 1069 C ARG A 68 18.512 -3.648 -11.210 1.00 0.00 C ATOM 1070 O ARG A 68 19.424 -3.149 -10.550 1.00 0.00 O ATOM 1071 CB ARG A 68 18.213 -6.132 -11.236 1.00 0.00 C ATOM 1072 CG ARG A 68 17.501 -6.562 -12.508 1.00 0.00 C ATOM 1073 CD ARG A 68 16.319 -7.469 -12.205 1.00 0.00 C ATOM 1074 NE ARG A 68 16.712 -8.874 -12.133 1.00 0.00 N ATOM 1075 CZ ARG A 68 16.946 -9.627 -13.202 1.00 0.00 C ATOM 1076 NH1 ARG A 68 16.829 -9.113 -14.419 1.00 0.00 N ATOM 1077 NH2 ARG A 68 17.300 -10.898 -13.056 1.00 0.00 N ATOM 0 H ARG A 68 15.889 -5.378 -11.562 1.00 0.00 H new ATOM 0 HA ARG A 68 17.805 -4.830 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 68 19.279 -6.035 -11.442 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.103 -6.915 -10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.156 -5.681 -13.049 1.00 0.00 H new ATOM 0 HG3 ARG A 68 18.202 -7.082 -13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.866 -7.170 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.559 -7.344 -12.976 1.00 0.00 H new ATOM 0 HE ARG A 68 16.812 -9.300 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.559 -8.137 -14.536 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.009 -9.694 -15.238 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.393 -11.298 -12.122 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.479 -11.475 -13.878 1.00 0.00 H new ATOM 1091 N HIS A 69 18.179 -3.220 -12.423 1.00 0.00 N ATOM 1092 CA HIS A 69 18.882 -2.113 -13.063 1.00 0.00 C ATOM 1093 C HIS A 69 18.943 -0.901 -12.139 1.00 0.00 C ATOM 1094 O HIS A 69 19.828 -0.055 -12.265 1.00 0.00 O ATOM 1095 CB HIS A 69 18.195 -1.735 -14.375 1.00 0.00 C ATOM 1096 CG HIS A 69 16.724 -2.016 -14.383 1.00 0.00 C ATOM 1097 ND1 HIS A 69 16.186 -3.199 -14.845 1.00 0.00 N ATOM 1098 CD2 HIS A 69 15.676 -1.260 -13.981 1.00 0.00 C ATOM 1099 CE1 HIS A 69 14.871 -3.158 -14.728 1.00 0.00 C ATOM 1100 NE2 HIS A 69 14.536 -1.992 -14.206 1.00 0.00 N ATOM 0 H HIS A 69 17.427 -3.622 -12.983 1.00 0.00 H new ATOM 0 HA HIS A 69 19.901 -2.437 -13.276 1.00 0.00 H new ATOM 0 HB2 HIS A 69 18.355 -0.674 -14.567 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.665 -2.281 -15.193 1.00 0.00 H new ATOM 0 HD1 HIS A 69 16.720 -3.983 -15.219 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.727 -0.266 -13.561 1.00 0.00 H new ATOM 0 HE1 HIS A 69 14.186 -3.944 -15.011 1.00 0.00 H new ATOM 1109 N SER A 70 17.995 -0.823 -11.210 1.00 0.00 N ATOM 1110 CA SER A 70 17.939 0.288 -10.267 1.00 0.00 C ATOM 1111 C SER A 70 17.950 -0.219 -8.828 1.00 0.00 C ATOM 1112 O SER A 70 18.016 0.566 -7.882 1.00 0.00 O ATOM 1113 CB SER A 70 16.685 1.129 -10.513 1.00 0.00 C ATOM 1114 OG SER A 70 16.862 2.456 -10.049 1.00 0.00 O ATOM 0 H SER A 70 17.256 -1.516 -11.090 1.00 0.00 H new ATOM 0 HA SER A 70 18.822 0.909 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.454 1.141 -11.578 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.833 0.674 -10.007 1.00 0.00 H new ATOM 0 HG SER A 70 17.283 2.440 -9.164 1.00 0.00 H new ATOM 1120 N ARG A 71 17.885 -1.538 -8.672 1.00 0.00 N ATOM 1121 CA ARG A 71 17.886 -2.151 -7.349 1.00 0.00 C ATOM 1122 C ARG A 71 16.754 -1.594 -6.490 1.00 0.00 C ATOM 1123 O ARG A 71 16.973 -1.167 -5.357 1.00 0.00 O ATOM 1124 CB ARG A 71 19.229 -1.916 -6.656 1.00 0.00 C ATOM 1125 CG ARG A 71 20.302 -2.918 -7.050 1.00 0.00 C ATOM 1126 CD ARG A 71 21.280 -3.164 -5.912 1.00 0.00 C ATOM 1127 NE ARG A 71 22.614 -3.505 -6.401 1.00 0.00 N ATOM 1128 CZ ARG A 71 23.548 -4.078 -5.650 1.00 0.00 C ATOM 1129 NH1 ARG A 71 23.295 -4.373 -4.383 1.00 0.00 N ATOM 1130 NH2 ARG A 71 24.737 -4.357 -6.167 1.00 0.00 N ATOM 0 H ARG A 71 17.831 -2.202 -9.445 1.00 0.00 H new ATOM 0 HA ARG A 71 17.731 -3.223 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 71 19.579 -0.911 -6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.083 -1.958 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 71 19.834 -3.859 -7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 71 20.842 -2.550 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 71 21.340 -2.273 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 71 20.907 -3.972 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 71 22.841 -3.291 -7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 71 22.381 -4.160 -3.982 1.00 0.00 H new ATOM 0 HH12 ARG A 71 24.014 -4.813 -3.808 1.00 0.00 H new ATOM 0 HH21 ARG A 71 24.935 -4.132 -7.142 1.00 0.00 H new ATOM 0 HH22 ARG A 71 25.454 -4.797 -5.590 1.00 0.00 H new ATOM 1144 N VAL A 72 15.544 -1.601 -7.039 1.00 0.00 N ATOM 1145 CA VAL A 72 14.377 -1.097 -6.324 1.00 0.00 C ATOM 1146 C VAL A 72 13.146 -1.949 -6.611 1.00 0.00 C ATOM 1147 O VAL A 72 12.815 -2.209 -7.768 1.00 0.00 O ATOM 1148 CB VAL A 72 14.075 0.365 -6.702 1.00 0.00 C ATOM 1149 CG1 VAL A 72 12.749 0.809 -6.104 1.00 0.00 C ATOM 1150 CG2 VAL A 72 15.205 1.277 -6.247 1.00 0.00 C ATOM 0 H VAL A 72 15.346 -1.950 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 72 14.611 -1.149 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 72 13.998 0.432 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.553 1.845 -6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.948 0.174 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.794 0.727 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 72 14.975 2.306 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 72 15.316 1.207 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.135 0.972 -6.728 1.00 0.00 H new ATOM 1160 N TYR A 73 12.471 -2.380 -5.551 1.00 0.00 N ATOM 1161 CA TYR A 73 11.277 -3.205 -5.689 1.00 0.00 C ATOM 1162 C TYR A 73 10.024 -2.339 -5.771 1.00 0.00 C ATOM 1163 O TYR A 73 9.860 -1.387 -5.008 1.00 0.00 O ATOM 1164 CB TYR A 73 11.164 -4.176 -4.513 1.00 0.00 C ATOM 1165 CG TYR A 73 12.130 -5.336 -4.589 1.00 0.00 C ATOM 1166 CD1 TYR A 73 13.429 -5.217 -4.111 1.00 0.00 C ATOM 1167 CD2 TYR A 73 11.744 -6.552 -5.139 1.00 0.00 C ATOM 1168 CE1 TYR A 73 14.316 -6.274 -4.180 1.00 0.00 C ATOM 1169 CE2 TYR A 73 12.623 -7.615 -5.211 1.00 0.00 C ATOM 1170 CZ TYR A 73 13.908 -7.471 -4.731 1.00 0.00 C ATOM 1171 OH TYR A 73 14.787 -8.527 -4.800 1.00 0.00 O ATOM 0 H TYR A 73 12.731 -2.172 -4.587 1.00 0.00 H new ATOM 0 HA TYR A 73 11.364 -3.775 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.337 -3.631 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.146 -4.564 -4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.751 -4.282 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 73 10.739 -6.668 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 73 15.323 -6.164 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 73 12.306 -8.554 -5.641 1.00 0.00 H new ATOM 0 HH TYR A 73 15.156 -8.704 -3.910 1.00 0.00 H new ATOM 1181 N THR A 74 9.138 -2.678 -6.704 1.00 0.00 N ATOM 1182 CA THR A 74 7.899 -1.933 -6.888 1.00 0.00 C ATOM 1183 C THR A 74 6.685 -2.843 -6.747 1.00 0.00 C ATOM 1184 O THR A 74 6.486 -3.758 -7.546 1.00 0.00 O ATOM 1185 CB THR A 74 7.856 -1.247 -8.267 1.00 0.00 C ATOM 1186 OG1 THR A 74 9.044 -0.473 -8.467 1.00 0.00 O ATOM 1187 CG2 THR A 74 6.633 -0.350 -8.386 1.00 0.00 C ATOM 0 H THR A 74 9.256 -3.464 -7.343 1.00 0.00 H new ATOM 0 HA THR A 74 7.870 -1.170 -6.110 1.00 0.00 H new ATOM 0 HB THR A 74 7.795 -2.021 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.009 -0.042 -9.346 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.623 0.124 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.730 -0.948 -8.263 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.668 0.418 -7.613 1.00 0.00 H new ATOM 1195 N PHE A 75 5.874 -2.586 -5.726 1.00 0.00 N ATOM 1196 CA PHE A 75 4.678 -3.382 -5.480 1.00 0.00 C ATOM 1197 C PHE A 75 3.417 -2.549 -5.689 1.00 0.00 C ATOM 1198 O PHE A 75 3.282 -1.459 -5.133 1.00 0.00 O ATOM 1199 CB PHE A 75 4.699 -3.948 -4.059 1.00 0.00 C ATOM 1200 CG PHE A 75 6.011 -4.576 -3.683 1.00 0.00 C ATOM 1201 CD1 PHE A 75 6.375 -5.811 -4.194 1.00 0.00 C ATOM 1202 CD2 PHE A 75 6.880 -3.931 -2.818 1.00 0.00 C ATOM 1203 CE1 PHE A 75 7.581 -6.392 -3.851 1.00 0.00 C ATOM 1204 CE2 PHE A 75 8.088 -4.506 -2.472 1.00 0.00 C ATOM 1205 CZ PHE A 75 8.439 -5.738 -2.988 1.00 0.00 C ATOM 0 H PHE A 75 6.024 -1.832 -5.055 1.00 0.00 H new ATOM 0 HA PHE A 75 4.669 -4.207 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.473 -3.148 -3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.908 -4.692 -3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.708 -6.326 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.610 -2.968 -2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.852 -7.355 -4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.757 -3.992 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.382 -6.189 -2.717 1.00 0.00 H new ATOM 1215 N GLU A 76 2.496 -3.070 -6.494 1.00 0.00 N ATOM 1216 CA GLU A 76 1.247 -2.374 -6.777 1.00 0.00 C ATOM 1217 C GLU A 76 0.053 -3.160 -6.244 1.00 0.00 C ATOM 1218 O GLU A 76 0.180 -4.327 -5.874 1.00 0.00 O ATOM 1219 CB GLU A 76 1.093 -2.148 -8.283 1.00 0.00 C ATOM 1220 CG GLU A 76 2.353 -1.628 -8.953 1.00 0.00 C ATOM 1221 CD GLU A 76 2.480 -2.086 -10.393 1.00 0.00 C ATOM 1222 OE1 GLU A 76 2.217 -3.277 -10.661 1.00 0.00 O ATOM 1223 OE2 GLU A 76 2.842 -1.254 -11.251 1.00 0.00 O ATOM 0 H GLU A 76 2.592 -3.972 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 76 1.277 -1.408 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.802 -3.087 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.282 -1.440 -8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.354 -0.538 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.224 -1.964 -8.391 1.00 0.00 H new ATOM 1230 N MET A 77 -1.107 -2.512 -6.209 1.00 0.00 N ATOM 1231 CA MET A 77 -2.324 -3.150 -5.722 1.00 0.00 C ATOM 1232 C MET A 77 -3.516 -2.792 -6.605 1.00 0.00 C ATOM 1233 O MET A 77 -4.033 -1.677 -6.542 1.00 0.00 O ATOM 1234 CB MET A 77 -2.602 -2.732 -4.277 1.00 0.00 C ATOM 1235 CG MET A 77 -3.778 -3.462 -3.649 1.00 0.00 C ATOM 1236 SD MET A 77 -5.314 -2.524 -3.756 1.00 0.00 S ATOM 1237 CE MET A 77 -5.213 -1.536 -2.265 1.00 0.00 C ATOM 0 H MET A 77 -1.229 -1.546 -6.512 1.00 0.00 H new ATOM 0 HA MET A 77 -2.178 -4.230 -5.758 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.710 -2.913 -3.677 1.00 0.00 H new ATOM 0 HB3 MET A 77 -2.793 -1.659 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.909 -4.425 -4.143 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.555 -3.669 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.039 -0.825 -2.243 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.270 -2.187 -1.393 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.268 -0.994 -2.251 1.00 0.00 H new ATOM 1247 N GLN A 78 -3.946 -3.745 -7.425 1.00 0.00 N ATOM 1248 CA GLN A 78 -5.077 -3.528 -8.321 1.00 0.00 C ATOM 1249 C GLN A 78 -6.392 -3.875 -7.631 1.00 0.00 C ATOM 1250 O GLN A 78 -6.486 -4.875 -6.919 1.00 0.00 O ATOM 1251 CB GLN A 78 -4.917 -4.366 -9.590 1.00 0.00 C ATOM 1252 CG GLN A 78 -5.338 -3.639 -10.857 1.00 0.00 C ATOM 1253 CD GLN A 78 -5.098 -4.460 -12.108 1.00 0.00 C ATOM 1254 OE1 GLN A 78 -5.972 -4.569 -12.970 1.00 0.00 O ATOM 1255 NE2 GLN A 78 -3.910 -5.042 -12.216 1.00 0.00 N ATOM 0 H GLN A 78 -3.529 -4.674 -7.488 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.097 -2.472 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.875 -4.670 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.507 -5.277 -9.491 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.396 -3.385 -10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.789 -2.700 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.216 -4.925 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.691 -5.606 -13.037 1.00 0.00 H new ATOM 1264 N ILE A 79 -7.405 -3.042 -7.846 1.00 0.00 N ATOM 1265 CA ILE A 79 -8.714 -3.261 -7.245 1.00 0.00 C ATOM 1266 C ILE A 79 -9.813 -3.246 -8.302 1.00 0.00 C ATOM 1267 O ILE A 79 -10.202 -2.185 -8.792 1.00 0.00 O ATOM 1268 CB ILE A 79 -9.030 -2.197 -6.178 1.00 0.00 C ATOM 1269 CG1 ILE A 79 -7.980 -2.233 -5.065 1.00 0.00 C ATOM 1270 CG2 ILE A 79 -10.422 -2.416 -5.606 1.00 0.00 C ATOM 1271 CD1 ILE A 79 -8.501 -1.758 -3.727 1.00 0.00 C ATOM 0 H ILE A 79 -7.344 -2.209 -8.432 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.682 -4.241 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.002 -1.214 -6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.609 -3.252 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.132 -1.613 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.630 -1.656 -4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.159 -2.346 -6.406 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -10.476 -3.404 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.703 -1.811 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.846 -0.728 -3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.330 -2.393 -3.413 1.00 0.00 H new ATOM 1283 N ILE A 80 -10.311 -4.429 -8.648 1.00 0.00 N ATOM 1284 CA ILE A 80 -11.368 -4.551 -9.644 1.00 0.00 C ATOM 1285 C ILE A 80 -12.745 -4.541 -8.989 1.00 0.00 C ATOM 1286 O ILE A 80 -12.977 -5.229 -7.995 1.00 0.00 O ATOM 1287 CB ILE A 80 -11.215 -5.840 -10.472 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -9.735 -6.144 -10.714 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -11.958 -5.713 -11.793 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -9.122 -7.041 -9.662 1.00 0.00 C ATOM 0 H ILE A 80 -9.999 -5.316 -8.253 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.278 -3.690 -10.307 1.00 0.00 H new ATOM 0 HB ILE A 80 -11.650 -6.668 -9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.624 -6.615 -11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.181 -5.206 -10.748 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.840 -6.632 -12.367 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.017 -5.539 -11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.551 -4.876 -12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.072 -7.214 -9.898 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.201 -6.563 -8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.651 -7.994 -9.643 1.00 0.00 H new ATOM 1302 N LYS A 81 -13.657 -3.756 -9.554 1.00 0.00 N ATOM 1303 CA LYS A 81 -15.013 -3.658 -9.028 1.00 0.00 C ATOM 1304 C LYS A 81 -15.007 -3.108 -7.606 1.00 0.00 C ATOM 1305 O LYS A 81 -15.664 -3.650 -6.718 1.00 0.00 O ATOM 1306 CB LYS A 81 -15.693 -5.029 -9.054 1.00 0.00 C ATOM 1307 CG LYS A 81 -15.659 -5.699 -10.416 1.00 0.00 C ATOM 1308 CD LYS A 81 -16.824 -6.658 -10.595 1.00 0.00 C ATOM 1309 CE LYS A 81 -16.591 -7.608 -11.760 1.00 0.00 C ATOM 1310 NZ LYS A 81 -17.850 -8.274 -12.194 1.00 0.00 N ATOM 0 H LYS A 81 -13.481 -3.179 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.573 -2.970 -9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.208 -5.680 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -16.731 -4.917 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.689 -4.939 -11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.720 -6.240 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.968 -7.232 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.740 -6.092 -10.764 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.164 -7.057 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.861 -8.364 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.648 -8.913 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.244 -8.821 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.538 -7.554 -12.494 1.00 0.00 H new ATOM 1324 N ALA A 82 -14.261 -2.029 -7.396 1.00 0.00 N ATOM 1325 CA ALA A 82 -14.172 -1.404 -6.082 1.00 0.00 C ATOM 1326 C ALA A 82 -15.558 -1.093 -5.528 1.00 0.00 C ATOM 1327 O ALA A 82 -16.251 -0.204 -6.023 1.00 0.00 O ATOM 1328 CB ALA A 82 -13.334 -0.136 -6.156 1.00 0.00 C ATOM 0 H ALA A 82 -13.709 -1.569 -8.120 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.688 -2.107 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.276 0.320 -5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.330 -0.383 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.795 0.565 -6.852 1.00 0.00 H new ATOM 1334 N LYS A 83 -15.957 -1.830 -4.497 1.00 0.00 N ATOM 1335 CA LYS A 83 -17.260 -1.633 -3.874 1.00 0.00 C ATOM 1336 C LYS A 83 -17.186 -0.571 -2.782 1.00 0.00 C ATOM 1337 O LYS A 83 -16.100 -0.141 -2.394 1.00 0.00 O ATOM 1338 CB LYS A 83 -17.771 -2.950 -3.285 1.00 0.00 C ATOM 1339 CG LYS A 83 -17.452 -4.164 -4.141 1.00 0.00 C ATOM 1340 CD LYS A 83 -17.633 -5.457 -3.365 1.00 0.00 C ATOM 1341 CE LYS A 83 -16.929 -6.620 -4.046 1.00 0.00 C ATOM 1342 NZ LYS A 83 -17.540 -7.929 -3.684 1.00 0.00 N ATOM 0 H LYS A 83 -15.396 -2.570 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.954 -1.292 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -17.335 -3.089 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -18.851 -2.884 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.099 -4.172 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.426 -4.096 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.241 -5.334 -2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.696 -5.679 -3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.971 -6.487 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.876 -6.621 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.895 -8.699 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.710 -7.961 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.443 -8.042 -4.188 1.00 0.00 H new ATOM 1356 N ASP A 84 -18.347 -0.153 -2.290 1.00 0.00 N ATOM 1357 CA ASP A 84 -18.414 0.857 -1.241 1.00 0.00 C ATOM 1358 C ASP A 84 -17.673 0.392 0.009 1.00 0.00 C ATOM 1359 O ASP A 84 -17.331 1.196 0.875 1.00 0.00 O ATOM 1360 CB ASP A 84 -19.871 1.172 -0.897 1.00 0.00 C ATOM 1361 CG ASP A 84 -20.412 0.280 0.202 1.00 0.00 C ATOM 1362 OD1 ASP A 84 -20.241 0.630 1.388 1.00 0.00 O ATOM 1363 OD2 ASP A 84 -21.007 -0.769 -0.123 1.00 0.00 O ATOM 0 H ASP A 84 -19.255 -0.498 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.933 1.762 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.951 2.214 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -20.485 1.057 -1.790 1.00 0.00 H new ATOM 1368 N ASN A 85 -17.430 -0.912 0.096 1.00 0.00 N ATOM 1369 CA ASN A 85 -16.731 -1.484 1.241 1.00 0.00 C ATOM 1370 C ASN A 85 -15.228 -1.245 1.136 1.00 0.00 C ATOM 1371 O ASN A 85 -14.498 -1.369 2.120 1.00 0.00 O ATOM 1372 CB ASN A 85 -17.014 -2.985 1.340 1.00 0.00 C ATOM 1373 CG ASN A 85 -18.420 -3.277 1.829 1.00 0.00 C ATOM 1374 OD1 ASN A 85 -19.093 -2.403 2.376 1.00 0.00 O ATOM 1375 ND2 ASN A 85 -18.869 -4.511 1.635 1.00 0.00 N ATOM 0 H ASN A 85 -17.707 -1.592 -0.612 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.097 -0.991 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.869 -3.445 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.294 -3.444 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.807 -4.767 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.276 -5.203 1.177 1.00 0.00 H new ATOM 1382 N PHE A 86 -14.771 -0.901 -0.064 1.00 0.00 N ATOM 1383 CA PHE A 86 -13.355 -0.645 -0.298 1.00 0.00 C ATOM 1384 C PHE A 86 -12.970 0.753 0.176 1.00 0.00 C ATOM 1385 O PHE A 86 -11.798 1.129 0.146 1.00 0.00 O ATOM 1386 CB PHE A 86 -13.026 -0.800 -1.784 1.00 0.00 C ATOM 1387 CG PHE A 86 -13.098 -2.220 -2.269 1.00 0.00 C ATOM 1388 CD1 PHE A 86 -14.264 -2.955 -2.130 1.00 0.00 C ATOM 1389 CD2 PHE A 86 -11.999 -2.819 -2.864 1.00 0.00 C ATOM 1390 CE1 PHE A 86 -14.332 -4.262 -2.575 1.00 0.00 C ATOM 1391 CE2 PHE A 86 -12.061 -4.126 -3.311 1.00 0.00 C ATOM 1392 CZ PHE A 86 -13.230 -4.848 -3.167 1.00 0.00 C ATOM 0 H PHE A 86 -15.361 -0.793 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.780 -1.375 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.717 -0.190 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.024 -0.412 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -15.129 -2.502 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -11.083 -2.258 -2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -15.247 -4.825 -2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.197 -4.582 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.282 -5.869 -3.517 1.00 0.00 H new ATOM 1402 N ALA A 87 -13.964 1.518 0.614 1.00 0.00 N ATOM 1403 CA ALA A 87 -13.730 2.874 1.096 1.00 0.00 C ATOM 1404 C ALA A 87 -13.536 2.892 2.609 1.00 0.00 C ATOM 1405 O ALA A 87 -14.472 2.646 3.368 1.00 0.00 O ATOM 1406 CB ALA A 87 -14.885 3.781 0.699 1.00 0.00 C ATOM 0 H ALA A 87 -14.940 1.222 0.645 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.815 3.246 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.697 4.790 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.976 3.800 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -15.810 3.403 1.134 1.00 0.00 H new ATOM 1412 N GLY A 88 -12.313 3.185 3.040 1.00 0.00 N ATOM 1413 CA GLY A 88 -12.018 3.229 4.460 1.00 0.00 C ATOM 1414 C GLY A 88 -10.577 3.606 4.742 1.00 0.00 C ATOM 1415 O GLY A 88 -10.092 4.632 4.266 1.00 0.00 O ATOM 0 H GLY A 88 -11.521 3.393 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.680 3.948 4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.229 2.255 4.902 1.00 0.00 H new ATOM 1419 N ASN A 89 -9.890 2.774 5.518 1.00 0.00 N ATOM 1420 CA ASN A 89 -8.496 3.027 5.864 1.00 0.00 C ATOM 1421 C ASN A 89 -7.606 1.872 5.416 1.00 0.00 C ATOM 1422 O ASN A 89 -7.859 0.714 5.749 1.00 0.00 O ATOM 1423 CB ASN A 89 -8.354 3.239 7.373 1.00 0.00 C ATOM 1424 CG ASN A 89 -6.909 3.179 7.832 1.00 0.00 C ATOM 1425 OD1 ASN A 89 -6.559 2.400 8.718 1.00 0.00 O ATOM 1426 ND2 ASN A 89 -6.063 4.006 7.229 1.00 0.00 N ATOM 0 H ASN A 89 -10.276 1.919 5.919 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.177 3.931 5.345 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.778 4.206 7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.932 2.479 7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.078 4.012 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.398 4.635 6.499 1.00 0.00 H new ATOM 1433 N TYR A 90 -6.564 2.195 4.659 1.00 0.00 N ATOM 1434 CA TYR A 90 -5.637 1.184 4.163 1.00 0.00 C ATOM 1435 C TYR A 90 -4.273 1.321 4.832 1.00 0.00 C ATOM 1436 O TYR A 90 -3.754 2.426 4.990 1.00 0.00 O ATOM 1437 CB TYR A 90 -5.486 1.302 2.645 1.00 0.00 C ATOM 1438 CG TYR A 90 -6.695 0.815 1.877 1.00 0.00 C ATOM 1439 CD1 TYR A 90 -7.926 1.446 2.008 1.00 0.00 C ATOM 1440 CD2 TYR A 90 -6.605 -0.275 1.020 1.00 0.00 C ATOM 1441 CE1 TYR A 90 -9.032 1.005 1.309 1.00 0.00 C ATOM 1442 CE2 TYR A 90 -7.707 -0.722 0.316 1.00 0.00 C ATOM 1443 CZ TYR A 90 -8.918 -0.079 0.464 1.00 0.00 C ATOM 1444 OH TYR A 90 -10.018 -0.521 -0.234 1.00 0.00 O ATOM 0 H TYR A 90 -6.340 3.149 4.375 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.045 0.203 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.297 2.344 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.612 0.732 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.019 2.296 2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.658 -0.781 0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -9.982 1.506 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.620 -1.570 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.563 0.247 -0.506 1.00 0.00 H new ATOM 1454 N ARG A 91 -3.698 0.188 5.224 1.00 0.00 N ATOM 1455 CA ARG A 91 -2.394 0.180 5.877 1.00 0.00 C ATOM 1456 C ARG A 91 -1.452 -0.810 5.198 1.00 0.00 C ATOM 1457 O ARG A 91 -1.791 -1.980 5.017 1.00 0.00 O ATOM 1458 CB ARG A 91 -2.544 -0.176 7.357 1.00 0.00 C ATOM 1459 CG ARG A 91 -1.218 -0.313 8.088 1.00 0.00 C ATOM 1460 CD ARG A 91 -1.402 -0.938 9.462 1.00 0.00 C ATOM 1461 NE ARG A 91 -2.299 -0.153 10.306 1.00 0.00 N ATOM 1462 CZ ARG A 91 -2.553 -0.442 11.577 1.00 0.00 C ATOM 1463 NH1 ARG A 91 -1.979 -1.491 12.149 1.00 0.00 N ATOM 1464 NH2 ARG A 91 -3.381 0.321 12.280 1.00 0.00 N ATOM 0 H ARG A 91 -4.114 -0.735 5.101 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.966 1.179 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.142 0.592 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.095 -1.113 7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.537 -0.925 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.756 0.669 8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.800 -1.947 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.432 -1.030 9.951 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.755 0.662 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.340 -2.078 11.613 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.176 -1.711 13.125 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.823 1.130 11.844 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.575 0.098 13.256 1.00 0.00 H new ATOM 1478 N CYS A 92 -0.270 -0.332 4.824 1.00 0.00 N ATOM 1479 CA CYS A 92 0.720 -1.174 4.163 1.00 0.00 C ATOM 1480 C CYS A 92 1.929 -1.403 5.066 1.00 0.00 C ATOM 1481 O CYS A 92 2.297 -0.535 5.856 1.00 0.00 O ATOM 1482 CB CYS A 92 1.165 -0.537 2.846 1.00 0.00 C ATOM 1483 SG CYS A 92 1.985 -1.681 1.712 1.00 0.00 S ATOM 0 H CYS A 92 0.026 0.634 4.967 1.00 0.00 H new ATOM 0 HA CYS A 92 0.258 -2.139 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 92 0.294 -0.111 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 92 1.842 0.289 3.065 1.00 0.00 H new ATOM 0 HG CYS A 92 1.593 -1.442 0.496 1.00 0.00 H new ATOM 1489 N GLU A 93 2.540 -2.577 4.942 1.00 0.00 N ATOM 1490 CA GLU A 93 3.705 -2.920 5.749 1.00 0.00 C ATOM 1491 C GLU A 93 4.727 -3.699 4.926 1.00 0.00 C ATOM 1492 O GLU A 93 4.404 -4.723 4.324 1.00 0.00 O ATOM 1493 CB GLU A 93 3.284 -3.740 6.969 1.00 0.00 C ATOM 1494 CG GLU A 93 2.627 -2.914 8.062 1.00 0.00 C ATOM 1495 CD GLU A 93 2.222 -3.748 9.261 1.00 0.00 C ATOM 1496 OE1 GLU A 93 3.080 -4.490 9.784 1.00 0.00 O ATOM 1497 OE2 GLU A 93 1.048 -3.660 9.676 1.00 0.00 O ATOM 0 H GLU A 93 2.248 -3.306 4.291 1.00 0.00 H new ATOM 0 HA GLU A 93 4.167 -1.992 6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.593 -4.520 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.161 -4.239 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.315 -2.132 8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.746 -2.417 7.656 1.00 0.00 H new ATOM 1504 N VAL A 94 5.961 -3.205 4.904 1.00 0.00 N ATOM 1505 CA VAL A 94 7.031 -3.854 4.155 1.00 0.00 C ATOM 1506 C VAL A 94 8.276 -4.029 5.017 1.00 0.00 C ATOM 1507 O VAL A 94 8.979 -3.062 5.315 1.00 0.00 O ATOM 1508 CB VAL A 94 7.400 -3.052 2.894 1.00 0.00 C ATOM 1509 CG1 VAL A 94 7.697 -1.603 3.250 1.00 0.00 C ATOM 1510 CG2 VAL A 94 8.587 -3.689 2.186 1.00 0.00 C ATOM 0 H VAL A 94 6.244 -2.358 5.396 1.00 0.00 H new ATOM 0 HA VAL A 94 6.659 -4.834 3.856 1.00 0.00 H new ATOM 0 HB VAL A 94 6.549 -3.067 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.956 -1.052 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.817 -1.153 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.532 -1.564 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.834 -3.109 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.445 -3.706 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.333 -4.708 1.895 1.00 0.00 H new ATOM 1520 N THR A 95 8.545 -5.268 5.415 1.00 0.00 N ATOM 1521 CA THR A 95 9.706 -5.570 6.243 1.00 0.00 C ATOM 1522 C THR A 95 10.870 -6.073 5.396 1.00 0.00 C ATOM 1523 O THR A 95 10.847 -7.199 4.900 1.00 0.00 O ATOM 1524 CB THR A 95 9.372 -6.625 7.315 1.00 0.00 C ATOM 1525 OG1 THR A 95 8.021 -6.462 7.759 1.00 0.00 O ATOM 1526 CG2 THR A 95 10.318 -6.509 8.501 1.00 0.00 C ATOM 0 H THR A 95 7.974 -6.079 5.177 1.00 0.00 H new ATOM 0 HA THR A 95 9.994 -4.641 6.735 1.00 0.00 H new ATOM 0 HB THR A 95 9.491 -7.613 6.870 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.867 -5.525 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.063 -7.264 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.343 -6.663 8.165 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.226 -5.517 8.944 1.00 0.00 H new ATOM 1534 N TYR A 96 11.885 -5.232 5.236 1.00 0.00 N ATOM 1535 CA TYR A 96 13.058 -5.591 4.447 1.00 0.00 C ATOM 1536 C TYR A 96 14.220 -5.990 5.351 1.00 0.00 C ATOM 1537 O TYR A 96 14.358 -5.485 6.465 1.00 0.00 O ATOM 1538 CB TYR A 96 13.472 -4.424 3.550 1.00 0.00 C ATOM 1539 CG TYR A 96 14.642 -4.740 2.646 1.00 0.00 C ATOM 1540 CD1 TYR A 96 14.770 -5.990 2.054 1.00 0.00 C ATOM 1541 CD2 TYR A 96 15.619 -3.788 2.383 1.00 0.00 C ATOM 1542 CE1 TYR A 96 15.837 -6.284 1.228 1.00 0.00 C ATOM 1543 CE2 TYR A 96 16.689 -4.072 1.557 1.00 0.00 C ATOM 1544 CZ TYR A 96 16.794 -5.322 0.983 1.00 0.00 C ATOM 1545 OH TYR A 96 17.859 -5.610 0.160 1.00 0.00 O ATOM 0 H TYR A 96 11.920 -4.297 5.642 1.00 0.00 H new ATOM 0 HA TYR A 96 12.797 -6.445 3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.620 -4.128 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.728 -3.569 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.022 -6.745 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.541 -2.809 2.832 1.00 0.00 H new ATOM 0 HE1 TYR A 96 15.921 -7.262 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 96 17.439 -3.320 1.362 1.00 0.00 H new ATOM 0 HH TYR A 96 18.675 -5.214 0.530 1.00 0.00 H new ATOM 1611 N PHE A 100 12.741 -1.726 8.116 1.00 0.00 N ATOM 1612 CA PHE A 100 11.305 -1.915 7.950 1.00 0.00 C ATOM 1613 C PHE A 100 10.576 -0.574 7.945 1.00 0.00 C ATOM 1614 O PHE A 100 10.754 0.244 8.847 1.00 0.00 O ATOM 1615 CB PHE A 100 10.753 -2.804 9.067 1.00 0.00 C ATOM 1616 CG PHE A 100 9.299 -2.567 9.358 1.00 0.00 C ATOM 1617 CD1 PHE A 100 8.324 -2.966 8.457 1.00 0.00 C ATOM 1618 CD2 PHE A 100 8.906 -1.945 10.532 1.00 0.00 C ATOM 1619 CE1 PHE A 100 6.985 -2.750 8.723 1.00 0.00 C ATOM 1620 CE2 PHE A 100 7.569 -1.727 10.803 1.00 0.00 C ATOM 1621 CZ PHE A 100 6.607 -2.129 9.897 1.00 0.00 C ATOM 0 HA PHE A 100 11.137 -2.403 6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 100 10.895 -3.849 8.792 1.00 0.00 H new ATOM 0 HB3 PHE A 100 11.330 -2.632 9.976 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.614 -3.451 7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 100 9.654 -1.627 11.244 1.00 0.00 H new ATOM 0 HE1 PHE A 100 6.235 -3.067 8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.276 -1.243 11.723 1.00 0.00 H new ATOM 0 HZ PHE A 100 5.561 -1.958 10.106 1.00 0.00 H new ATOM 1631 N ASP A 101 9.756 -0.357 6.923 1.00 0.00 N ATOM 1632 CA ASP A 101 9.000 0.884 6.800 1.00 0.00 C ATOM 1633 C ASP A 101 7.505 0.600 6.689 1.00 0.00 C ATOM 1634 O ASP A 101 7.098 -0.470 6.238 1.00 0.00 O ATOM 1635 CB ASP A 101 9.473 1.676 5.580 1.00 0.00 C ATOM 1636 CG ASP A 101 9.250 3.167 5.735 1.00 0.00 C ATOM 1637 OD1 ASP A 101 8.076 3.592 5.750 1.00 0.00 O ATOM 1638 OD2 ASP A 101 10.249 3.909 5.842 1.00 0.00 O ATOM 0 H ASP A 101 9.598 -1.024 6.168 1.00 0.00 H new ATOM 0 HA ASP A 101 9.174 1.477 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.534 1.485 5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.945 1.323 4.694 1.00 0.00 H new ATOM 1643 N SER A 102 6.692 1.566 7.104 1.00 0.00 N ATOM 1644 CA SER A 102 5.242 1.419 7.056 1.00 0.00 C ATOM 1645 C SER A 102 4.580 2.712 6.590 1.00 0.00 C ATOM 1646 O SER A 102 5.164 3.792 6.687 1.00 0.00 O ATOM 1647 CB SER A 102 4.703 1.023 8.432 1.00 0.00 C ATOM 1648 OG SER A 102 5.042 1.990 9.410 1.00 0.00 O ATOM 0 H SER A 102 7.013 2.459 7.477 1.00 0.00 H new ATOM 0 HA SER A 102 5.004 0.632 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.620 0.914 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.108 0.053 8.719 1.00 0.00 H new ATOM 0 HG SER A 102 4.685 1.715 10.280 1.00 0.00 H new ATOM 1654 N CYS A 103 3.357 2.593 6.084 1.00 0.00 N ATOM 1655 CA CYS A 103 2.614 3.752 5.601 1.00 0.00 C ATOM 1656 C CYS A 103 1.133 3.422 5.445 1.00 0.00 C ATOM 1657 O CYS A 103 0.773 2.311 5.055 1.00 0.00 O ATOM 1658 CB CYS A 103 3.186 4.231 4.266 1.00 0.00 C ATOM 1659 SG CYS A 103 3.094 3.005 2.941 1.00 0.00 S ATOM 0 H CYS A 103 2.859 1.707 5.998 1.00 0.00 H new ATOM 0 HA CYS A 103 2.714 4.549 6.337 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.650 5.128 3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 103 4.228 4.516 4.411 1.00 0.00 H new ATOM 0 HG CYS A 103 4.081 3.184 2.114 1.00 0.00 H new ATOM 1665 N SER A 104 0.280 4.393 5.753 1.00 0.00 N ATOM 1666 CA SER A 104 -1.162 4.203 5.651 1.00 0.00 C ATOM 1667 C SER A 104 -1.790 5.276 4.767 1.00 0.00 C ATOM 1668 O SER A 104 -1.201 6.333 4.539 1.00 0.00 O ATOM 1669 CB SER A 104 -1.801 4.235 7.041 1.00 0.00 C ATOM 1670 OG SER A 104 -2.979 3.449 7.079 1.00 0.00 O ATOM 0 H SER A 104 0.562 5.319 6.075 1.00 0.00 H new ATOM 0 HA SER A 104 -1.344 3.229 5.196 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.090 3.866 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.038 5.264 7.312 1.00 0.00 H new ATOM 0 HG SER A 104 -3.359 3.385 6.178 1.00 0.00 H new ATOM 1676 N PHE A 105 -2.991 4.996 4.270 1.00 0.00 N ATOM 1677 CA PHE A 105 -3.700 5.935 3.408 1.00 0.00 C ATOM 1678 C PHE A 105 -5.208 5.723 3.499 1.00 0.00 C ATOM 1679 O PHE A 105 -5.675 4.743 4.079 1.00 0.00 O ATOM 1680 CB PHE A 105 -3.238 5.778 1.958 1.00 0.00 C ATOM 1681 CG PHE A 105 -3.291 4.362 1.461 1.00 0.00 C ATOM 1682 CD1 PHE A 105 -2.270 3.473 1.752 1.00 0.00 C ATOM 1683 CD2 PHE A 105 -4.363 3.920 0.703 1.00 0.00 C ATOM 1684 CE1 PHE A 105 -2.316 2.168 1.296 1.00 0.00 C ATOM 1685 CE2 PHE A 105 -4.416 2.617 0.245 1.00 0.00 C ATOM 1686 CZ PHE A 105 -3.390 1.741 0.541 1.00 0.00 C ATOM 0 H PHE A 105 -3.493 4.127 4.450 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.471 6.945 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.860 6.403 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.217 6.148 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.428 3.803 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.167 4.602 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -1.513 1.484 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.258 2.284 -0.343 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.428 0.723 0.182 1.00 0.00 H new ATOM 1696 N ASP A 106 -5.965 6.650 2.921 1.00 0.00 N ATOM 1697 CA ASP A 106 -7.421 6.566 2.936 1.00 0.00 C ATOM 1698 C ASP A 106 -7.971 6.428 1.520 1.00 0.00 C ATOM 1699 O ASP A 106 -7.610 7.193 0.624 1.00 0.00 O ATOM 1700 CB ASP A 106 -8.018 7.802 3.610 1.00 0.00 C ATOM 1701 CG ASP A 106 -7.237 8.225 4.839 1.00 0.00 C ATOM 1702 OD1 ASP A 106 -7.009 7.370 5.719 1.00 0.00 O ATOM 1703 OD2 ASP A 106 -6.855 9.412 4.920 1.00 0.00 O ATOM 0 H ASP A 106 -5.595 7.468 2.437 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.704 5.680 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -8.041 8.626 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.050 7.595 3.892 1.00 0.00 H new ATOM 1708 N LEU A 107 -8.845 5.447 1.323 1.00 0.00 N ATOM 1709 CA LEU A 107 -9.445 5.207 0.015 1.00 0.00 C ATOM 1710 C LEU A 107 -10.923 5.587 0.016 1.00 0.00 C ATOM 1711 O LEU A 107 -11.689 5.134 0.865 1.00 0.00 O ATOM 1712 CB LEU A 107 -9.285 3.738 -0.380 1.00 0.00 C ATOM 1713 CG LEU A 107 -9.676 3.382 -1.814 1.00 0.00 C ATOM 1714 CD1 LEU A 107 -11.189 3.341 -1.961 1.00 0.00 C ATOM 1715 CD2 LEU A 107 -9.070 4.377 -2.794 1.00 0.00 C ATOM 0 H LEU A 107 -9.154 4.805 2.053 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.928 5.831 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.244 3.453 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.885 3.132 0.300 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.283 2.391 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.448 3.086 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.600 2.590 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.605 4.318 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.359 4.108 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.433 5.379 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.984 4.357 -2.708 1.00 0.00 H new ATOM 1727 N GLU A 108 -11.315 6.420 -0.943 1.00 0.00 N ATOM 1728 CA GLU A 108 -12.701 6.859 -1.053 1.00 0.00 C ATOM 1729 C GLU A 108 -13.398 6.172 -2.224 1.00 0.00 C ATOM 1730 O GLU A 108 -12.776 5.878 -3.245 1.00 0.00 O ATOM 1731 CB GLU A 108 -12.766 8.378 -1.227 1.00 0.00 C ATOM 1732 CG GLU A 108 -12.772 9.141 0.087 1.00 0.00 C ATOM 1733 CD GLU A 108 -12.869 10.641 -0.110 1.00 0.00 C ATOM 1734 OE1 GLU A 108 -11.819 11.282 -0.324 1.00 0.00 O ATOM 1735 OE2 GLU A 108 -13.997 11.175 -0.051 1.00 0.00 O ATOM 0 H GLU A 108 -10.693 6.804 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.217 6.583 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.913 8.704 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.664 8.633 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.611 8.803 0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.863 8.909 0.642 1.00 0.00 H new ATOM 1742 N VAL A 109 -14.693 5.919 -2.067 1.00 0.00 N ATOM 1743 CA VAL A 109 -15.476 5.267 -3.111 1.00 0.00 C ATOM 1744 C VAL A 109 -16.749 6.049 -3.412 1.00 0.00 C ATOM 1745 O VAL A 109 -17.592 6.247 -2.536 1.00 0.00 O ATOM 1746 CB VAL A 109 -15.853 3.827 -2.713 1.00 0.00 C ATOM 1747 CG1 VAL A 109 -16.535 3.114 -3.870 1.00 0.00 C ATOM 1748 CG2 VAL A 109 -14.621 3.061 -2.255 1.00 0.00 C ATOM 0 H VAL A 109 -15.222 6.155 -1.228 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.851 5.238 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.555 3.871 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -16.794 2.099 -3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -17.441 3.653 -4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.859 3.079 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -14.906 2.046 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.893 3.025 -3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.180 3.562 -1.393 1.00 0.00 H new ATOM 1758 N HIS A 110 -16.884 6.492 -4.658 1.00 0.00 N ATOM 1759 CA HIS A 110 -18.056 7.253 -5.077 1.00 0.00 C ATOM 1760 C HIS A 110 -19.012 6.378 -5.882 1.00 0.00 C ATOM 1761 O HIS A 110 -18.582 5.519 -6.651 1.00 0.00 O ATOM 1762 CB HIS A 110 -17.634 8.466 -5.906 1.00 0.00 C ATOM 1763 CG HIS A 110 -16.884 9.497 -5.121 1.00 0.00 C ATOM 1764 ND1 HIS A 110 -16.754 10.807 -5.529 1.00 0.00 N ATOM 1765 CD2 HIS A 110 -16.222 9.405 -3.943 1.00 0.00 C ATOM 1766 CE1 HIS A 110 -16.044 11.476 -4.639 1.00 0.00 C ATOM 1767 NE2 HIS A 110 -15.710 10.648 -3.666 1.00 0.00 N ATOM 0 H HIS A 110 -16.196 6.337 -5.395 1.00 0.00 H new ATOM 0 HA HIS A 110 -18.574 7.598 -4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -17.012 8.130 -6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -18.522 8.926 -6.339 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -16.117 8.519 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.781 12.522 -4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.161 10.893 -2.842 1.00 0.00 H new ATOM 1776 N GLU A 111 -20.309 6.604 -5.700 1.00 0.00 N ATOM 1777 CA GLU A 111 -21.325 5.835 -6.410 1.00 0.00 C ATOM 1778 C GLU A 111 -21.248 6.088 -7.912 1.00 0.00 C ATOM 1779 O GLU A 111 -21.297 7.232 -8.364 1.00 0.00 O ATOM 1780 CB GLU A 111 -22.720 6.192 -5.892 1.00 0.00 C ATOM 1781 CG GLU A 111 -22.968 5.756 -4.458 1.00 0.00 C ATOM 1782 CD GLU A 111 -24.443 5.613 -4.138 1.00 0.00 C ATOM 1783 OE1 GLU A 111 -25.171 5.005 -4.950 1.00 0.00 O ATOM 1784 OE2 GLU A 111 -24.869 6.109 -3.074 1.00 0.00 O ATOM 0 H GLU A 111 -20.681 7.313 -5.068 1.00 0.00 H new ATOM 0 HA GLU A 111 -21.137 4.777 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.860 7.271 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -23.467 5.730 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -22.468 4.804 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -22.522 6.483 -3.779 1.00 0.00 H new ATOM 1791 N SER A 112 -21.126 5.011 -8.682 1.00 0.00 N ATOM 1792 CA SER A 112 -21.037 5.115 -10.134 1.00 0.00 C ATOM 1793 C SER A 112 -22.407 5.400 -10.743 1.00 0.00 C ATOM 1794 O SER A 112 -23.098 4.490 -11.201 1.00 0.00 O ATOM 1795 CB SER A 112 -20.462 3.826 -10.725 1.00 0.00 C ATOM 1796 OG SER A 112 -20.068 4.015 -12.073 1.00 0.00 O ATOM 0 H SER A 112 -21.087 4.057 -8.324 1.00 0.00 H new ATOM 0 HA SER A 112 -20.372 5.944 -10.374 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.605 3.502 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.207 3.032 -10.668 1.00 0.00 H new ATOM 0 HG SER A 112 -19.703 3.178 -12.427 1.00 0.00 H new