USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 421 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 30 CYS SG : rot 164:sc= -0.0686 USER MOD Set 1.2: A 33 CYS SG : rot -59:sc= -0.548 USER MOD Set 1.3: A 57 CYS SG : rot -62:sc= 1.94 USER MOD Set 1.4: A 60 CYS SG : rot 62:sc= 1.58 USER MOD Set 2.1: A 15 CYS SG : rot 170:sc= 1.41 USER MOD Set 2.2: A 17 CYS SG : rot -63:sc= -1.19! USER MOD Set 2.3: A 22 ASN : amide:sc= -2.72 K(o=-5,f=-12!) USER MOD Set 2.4: A 25 HIS : no HD1:sc= -1.78 K(o=-5,f=-8.7!) USER MOD Set 2.5: A 38 HIS : no HD1:sc= -0.453 K(o=-5,f=-15!) USER MOD Set 2.6: A 41 CYS SG : rot 180:sc= -0.258 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -2.27 F(o=-4.2!,f=-2.3) USER MOD Single : A 21 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.24) USER MOD Single : A 27 MET CE :methyl -174:sc= -3.05 (180deg=-3.59) USER MOD Single : A 34 GLN : amide:sc= -0.0835 K(o=-0.084,f=-1.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.14) USER MOD Single : A 55 TYR OH : rot 178:sc= -2.5! USER MOD Single : A 56 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 136:sc= 0.238 (180deg=-0.00701) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 12 -10.698 14.125 5.797 1.00 0.00 N ATOM 129 CA PRO A 12 -10.683 12.917 6.629 1.00 0.00 C ATOM 130 C PRO A 12 -9.539 11.977 6.265 1.00 0.00 C ATOM 131 O PRO A 12 -8.955 12.081 5.186 1.00 0.00 O ATOM 132 CB PRO A 12 -12.032 12.260 6.324 1.00 0.00 C ATOM 133 CG PRO A 12 -12.394 12.751 4.965 1.00 0.00 C ATOM 134 CD PRO A 12 -11.839 14.145 4.867 1.00 0.00 C ATOM 0 HA PRO A 12 -10.535 13.150 7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.957 11.173 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.785 12.542 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.972 12.108 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.475 12.751 4.825 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.525 14.382 3.851 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.578 14.893 5.154 1.00 0.00 H new ATOM 142 N VAL A 13 -9.222 11.059 7.173 1.00 0.00 N ATOM 143 CA VAL A 13 -8.149 10.099 6.947 1.00 0.00 C ATOM 144 C VAL A 13 -8.680 8.819 6.311 1.00 0.00 C ATOM 145 O VAL A 13 -9.799 8.391 6.594 1.00 0.00 O ATOM 146 CB VAL A 13 -7.427 9.744 8.260 1.00 0.00 C ATOM 147 CG1 VAL A 13 -6.736 10.971 8.838 1.00 0.00 C ATOM 148 CG2 VAL A 13 -8.406 9.152 9.263 1.00 0.00 C ATOM 0 H VAL A 13 -9.694 10.960 8.072 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.440 10.572 6.267 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.665 8.995 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.231 10.701 9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.004 11.347 8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.477 11.744 9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.879 8.907 10.185 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.192 9.877 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.850 8.247 8.848 1.00 0.00 H new ATOM 158 N TYR A 14 -7.870 8.213 5.450 1.00 0.00 N ATOM 159 CA TYR A 14 -8.260 6.982 4.771 1.00 0.00 C ATOM 160 C TYR A 14 -7.275 5.857 5.076 1.00 0.00 C ATOM 161 O TYR A 14 -7.665 4.699 5.231 1.00 0.00 O ATOM 162 CB TYR A 14 -8.338 7.211 3.261 1.00 0.00 C ATOM 163 CG TYR A 14 -8.870 8.574 2.882 1.00 0.00 C ATOM 164 CD1 TYR A 14 -8.069 9.705 2.976 1.00 0.00 C ATOM 165 CD2 TYR A 14 -10.174 8.731 2.428 1.00 0.00 C ATOM 166 CE1 TYR A 14 -8.552 10.953 2.632 1.00 0.00 C ATOM 167 CE2 TYR A 14 -10.665 9.975 2.079 1.00 0.00 C ATOM 168 CZ TYR A 14 -9.850 11.083 2.184 1.00 0.00 C ATOM 169 OH TYR A 14 -10.334 12.324 1.838 1.00 0.00 O ATOM 0 H TYR A 14 -6.940 8.553 5.206 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.244 6.689 5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.344 7.086 2.831 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.975 6.446 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.051 9.607 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.815 7.866 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.916 11.822 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.680 10.079 1.726 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.265 12.241 1.542 1.00 0.00 H new ATOM 179 N CYS A 15 -5.996 6.206 5.162 1.00 0.00 N ATOM 180 CA CYS A 15 -4.953 5.228 5.449 1.00 0.00 C ATOM 181 C CYS A 15 -5.068 4.715 6.881 1.00 0.00 C ATOM 182 O CYS A 15 -5.912 5.175 7.652 1.00 0.00 O ATOM 183 CB CYS A 15 -3.571 5.845 5.225 1.00 0.00 C ATOM 184 SG CYS A 15 -2.281 4.638 4.783 1.00 0.00 S ATOM 0 H CYS A 15 -5.656 7.160 5.037 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.082 4.386 4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.642 6.591 4.434 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.268 6.369 6.131 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.208 5.268 4.406 1.00 0.00 H new ATOM 189 N LEU A 16 -4.214 3.760 7.231 1.00 0.00 N ATOM 190 CA LEU A 16 -4.218 3.183 8.571 1.00 0.00 C ATOM 191 C LEU A 16 -3.404 4.040 9.536 1.00 0.00 C ATOM 192 O LEU A 16 -3.626 4.012 10.747 1.00 0.00 O ATOM 193 CB LEU A 16 -3.657 1.761 8.538 1.00 0.00 C ATOM 194 CG LEU A 16 -3.991 0.937 7.294 1.00 0.00 C ATOM 195 CD1 LEU A 16 -2.963 -0.165 7.091 1.00 0.00 C ATOM 196 CD2 LEU A 16 -5.390 0.349 7.404 1.00 0.00 C ATOM 0 H LEU A 16 -3.510 3.369 6.606 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.249 3.152 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.572 1.817 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.025 1.226 9.413 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.962 1.597 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.218 -0.741 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.975 0.278 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.959 -0.823 7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.611 -0.234 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.446 -0.296 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.117 1.155 7.500 1.00 0.00 H new ATOM 208 N CYS A 17 -2.464 4.804 8.990 1.00 0.00 N ATOM 209 CA CYS A 17 -1.617 5.672 9.801 1.00 0.00 C ATOM 210 C CYS A 17 -2.401 6.882 10.302 1.00 0.00 C ATOM 211 O CYS A 17 -1.860 7.736 11.004 1.00 0.00 O ATOM 212 CB CYS A 17 -0.404 6.134 8.993 1.00 0.00 C ATOM 213 SG CYS A 17 -0.793 6.627 7.283 1.00 0.00 S ATOM 0 H CYS A 17 -2.269 4.840 7.989 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.274 5.101 10.664 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.061 6.976 9.506 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.331 5.330 8.969 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.256 5.602 6.631 1.00 0.00 H new ATOM 218 N ARG A 18 -3.676 6.947 9.935 1.00 0.00 N ATOM 219 CA ARG A 18 -4.534 8.052 10.345 1.00 0.00 C ATOM 220 C ARG A 18 -4.139 9.341 9.630 1.00 0.00 C ATOM 221 O ARG A 18 -4.122 10.415 10.231 1.00 0.00 O ATOM 222 CB ARG A 18 -4.454 8.252 11.860 1.00 0.00 C ATOM 223 CG ARG A 18 -4.572 6.960 12.652 1.00 0.00 C ATOM 224 CD ARG A 18 -5.850 6.210 12.307 1.00 0.00 C ATOM 225 NE ARG A 18 -6.345 5.426 13.434 1.00 0.00 N ATOM 226 CZ ARG A 18 -7.437 4.670 13.381 1.00 0.00 C ATOM 227 NH1 ARG A 18 -8.142 4.597 12.261 1.00 0.00 N ATOM 228 NH2 ARG A 18 -7.824 3.985 14.449 1.00 0.00 N ATOM 0 H ARG A 18 -4.138 6.247 9.354 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.560 7.804 10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.507 8.733 12.105 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.247 8.932 12.171 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.710 6.326 12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.556 7.183 13.719 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.615 6.921 11.996 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.665 5.550 11.459 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.824 5.460 14.310 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.847 5.122 11.438 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.980 4.016 12.223 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.283 4.038 15.312 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.662 3.405 14.407 1.00 0.00 H new ATOM 242 N GLN A 19 -3.823 9.226 8.344 1.00 0.00 N ATOM 243 CA GLN A 19 -3.427 10.381 7.549 1.00 0.00 C ATOM 244 C GLN A 19 -4.416 10.624 6.413 1.00 0.00 C ATOM 245 O GLN A 19 -4.969 9.692 5.829 1.00 0.00 O ATOM 246 CB GLN A 19 -2.021 10.180 6.982 1.00 0.00 C ATOM 247 CG GLN A 19 -0.966 9.933 8.048 1.00 0.00 C ATOM 248 CD GLN A 19 -1.086 10.886 9.221 1.00 0.00 C ATOM 249 OE1 GLN A 19 -1.685 10.416 10.308 1.00 0.00 O flip ATOM 250 NE2 GLN A 19 -0.644 12.034 9.150 1.00 0.00 N flip ATOM 0 H GLN A 19 -3.834 8.344 7.831 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.426 11.255 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.033 9.336 6.292 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.742 11.061 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.052 8.908 8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.024 10.033 7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.190 12.354 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.732 12.664 9.947 1.00 0.00 H new ATOM 259 N PRO A 20 -4.645 11.906 6.090 1.00 0.00 N ATOM 260 CA PRO A 20 -5.567 12.301 5.022 1.00 0.00 C ATOM 261 C PRO A 20 -5.037 11.945 3.637 1.00 0.00 C ATOM 262 O PRO A 20 -5.709 11.268 2.859 1.00 0.00 O ATOM 263 CB PRO A 20 -5.667 13.820 5.182 1.00 0.00 C ATOM 264 CG PRO A 20 -4.393 14.215 5.845 1.00 0.00 C ATOM 265 CD PRO A 20 -4.020 13.068 6.744 1.00 0.00 C ATOM 0 HA PRO A 20 -6.525 11.787 5.100 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -5.781 14.313 4.217 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.531 14.099 5.786 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.612 14.403 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.520 15.134 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.939 12.953 6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.398 13.211 7.756 1.00 0.00 H new ATOM 273 N TYR A 21 -3.827 12.405 3.336 1.00 0.00 N ATOM 274 CA TYR A 21 -3.207 12.137 2.044 1.00 0.00 C ATOM 275 C TYR A 21 -1.796 12.713 1.987 1.00 0.00 C ATOM 276 O TYR A 21 -1.461 13.639 2.725 1.00 0.00 O ATOM 277 CB TYR A 21 -4.056 12.726 0.916 1.00 0.00 C ATOM 278 CG TYR A 21 -3.361 12.728 -0.427 1.00 0.00 C ATOM 279 CD1 TYR A 21 -3.434 11.626 -1.271 1.00 0.00 C ATOM 280 CD2 TYR A 21 -2.632 13.831 -0.852 1.00 0.00 C ATOM 281 CE1 TYR A 21 -2.800 11.624 -2.498 1.00 0.00 C ATOM 282 CE2 TYR A 21 -1.995 13.838 -2.078 1.00 0.00 C ATOM 283 CZ TYR A 21 -2.082 12.732 -2.898 1.00 0.00 C ATOM 284 OH TYR A 21 -1.450 12.733 -4.120 1.00 0.00 O ATOM 0 H TYR A 21 -3.257 12.965 3.969 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.144 11.056 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.983 12.158 0.835 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.331 13.749 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.996 10.757 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.562 14.699 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.866 10.759 -3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.432 14.704 -2.393 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.197 13.650 -4.356 1.00 0.00 H new ATOM 294 N ASN A 22 -0.972 12.157 1.104 1.00 0.00 N ATOM 295 CA ASN A 22 0.404 12.615 0.949 1.00 0.00 C ATOM 296 C ASN A 22 0.779 12.722 -0.526 1.00 0.00 C ATOM 297 O ASN A 22 0.782 11.727 -1.250 1.00 0.00 O ATOM 298 CB ASN A 22 1.364 11.661 1.663 1.00 0.00 C ATOM 299 CG ASN A 22 1.052 11.526 3.141 1.00 0.00 C ATOM 300 OD1 ASN A 22 -0.037 11.096 3.521 1.00 0.00 O ATOM 301 ND2 ASN A 22 2.010 11.895 3.984 1.00 0.00 N ATOM 0 H ASN A 22 -1.233 11.389 0.485 1.00 0.00 H new ATOM 0 HA ASN A 22 0.484 13.605 1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.313 10.679 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.386 12.020 1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.858 11.827 4.990 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.898 12.246 3.625 1.00 0.00 H new ATOM 308 N VAL A 23 1.096 13.936 -0.963 1.00 0.00 N ATOM 309 CA VAL A 23 1.475 14.174 -2.351 1.00 0.00 C ATOM 310 C VAL A 23 2.859 13.607 -2.648 1.00 0.00 C ATOM 311 O VAL A 23 3.070 12.967 -3.677 1.00 0.00 O ATOM 312 CB VAL A 23 1.465 15.677 -2.686 1.00 0.00 C ATOM 313 CG1 VAL A 23 2.428 16.432 -1.781 1.00 0.00 C ATOM 314 CG2 VAL A 23 1.812 15.899 -4.150 1.00 0.00 C ATOM 0 H VAL A 23 1.098 14.770 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 23 0.737 13.666 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 23 0.461 16.064 -2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.408 17.492 -2.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.130 16.300 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.438 16.045 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.800 16.967 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.805 15.498 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.080 15.392 -4.778 1.00 0.00 H new ATOM 324 N ASN A 24 3.798 13.846 -1.738 1.00 0.00 N ATOM 325 CA ASN A 24 5.163 13.360 -1.903 1.00 0.00 C ATOM 326 C ASN A 24 5.205 11.835 -1.864 1.00 0.00 C ATOM 327 O ASN A 24 5.969 11.205 -2.596 1.00 0.00 O ATOM 328 CB ASN A 24 6.066 13.934 -0.810 1.00 0.00 C ATOM 329 CG ASN A 24 5.756 15.388 -0.509 1.00 0.00 C ATOM 330 OD1 ASN A 24 6.250 16.292 -1.182 1.00 0.00 O ATOM 331 ND2 ASN A 24 4.934 15.619 0.508 1.00 0.00 N ATOM 0 H ASN A 24 3.639 14.373 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 24 5.526 13.692 -2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.950 13.345 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.108 13.844 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.689 16.577 0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.548 14.838 1.039 1.00 0.00 H new ATOM 338 N HIS A 25 4.378 11.248 -1.004 1.00 0.00 N ATOM 339 CA HIS A 25 4.319 9.796 -0.870 1.00 0.00 C ATOM 340 C HIS A 25 3.259 9.207 -1.796 1.00 0.00 C ATOM 341 O HIS A 25 2.170 9.761 -1.941 1.00 0.00 O ATOM 342 CB HIS A 25 4.020 9.409 0.578 1.00 0.00 C ATOM 343 CG HIS A 25 4.735 10.256 1.585 1.00 0.00 C ATOM 344 ND1 HIS A 25 4.210 10.558 2.824 1.00 0.00 N ATOM 345 CD2 HIS A 25 5.942 10.866 1.531 1.00 0.00 C ATOM 346 CE1 HIS A 25 5.062 11.318 3.488 1.00 0.00 C ATOM 347 NE2 HIS A 25 6.122 11.519 2.726 1.00 0.00 N ATOM 0 H HIS A 25 3.740 11.755 -0.390 1.00 0.00 H new ATOM 0 HA HIS A 25 5.290 9.390 -1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 25 2.946 9.483 0.751 1.00 0.00 H new ATOM 0 HB3 HIS A 25 4.297 8.366 0.731 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.635 10.844 0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.917 11.709 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.941 12.070 2.983 1.00 0.00 H new ATOM 356 N PHE A 26 3.587 8.081 -2.421 1.00 0.00 N ATOM 357 CA PHE A 26 2.664 7.418 -3.335 1.00 0.00 C ATOM 358 C PHE A 26 1.421 6.933 -2.595 1.00 0.00 C ATOM 359 O PHE A 26 1.476 6.618 -1.407 1.00 0.00 O ATOM 360 CB PHE A 26 3.354 6.239 -4.024 1.00 0.00 C ATOM 361 CG PHE A 26 2.458 5.049 -4.216 1.00 0.00 C ATOM 362 CD1 PHE A 26 2.181 4.196 -3.159 1.00 0.00 C ATOM 363 CD2 PHE A 26 1.892 4.783 -5.452 1.00 0.00 C ATOM 364 CE1 PHE A 26 1.357 3.100 -3.332 1.00 0.00 C ATOM 365 CE2 PHE A 26 1.067 3.689 -5.631 1.00 0.00 C ATOM 366 CZ PHE A 26 0.800 2.846 -4.570 1.00 0.00 C ATOM 0 H PHE A 26 4.484 7.609 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 26 2.357 8.142 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.727 6.564 -4.996 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.220 5.940 -3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.614 4.390 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.098 5.438 -6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.149 2.443 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.631 3.493 -6.600 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.157 1.990 -4.708 1.00 0.00 H new ATOM 376 N MET A 27 0.300 6.876 -3.307 1.00 0.00 N ATOM 377 CA MET A 27 -0.957 6.429 -2.718 1.00 0.00 C ATOM 378 C MET A 27 -1.844 5.768 -3.768 1.00 0.00 C ATOM 379 O MET A 27 -1.744 6.070 -4.958 1.00 0.00 O ATOM 380 CB MET A 27 -1.694 7.608 -2.080 1.00 0.00 C ATOM 381 CG MET A 27 -1.347 7.820 -0.615 1.00 0.00 C ATOM 382 SD MET A 27 -2.600 8.774 0.264 1.00 0.00 S ATOM 383 CE MET A 27 -3.519 7.465 1.070 1.00 0.00 C ATOM 0 H MET A 27 0.236 7.134 -4.292 1.00 0.00 H new ATOM 0 HA MET A 27 -0.727 5.694 -1.947 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.460 8.516 -2.636 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.768 7.447 -2.171 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.227 6.851 -0.130 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.388 8.333 -0.543 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.393 7.887 1.567 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.841 6.736 0.327 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.883 6.975 1.807 1.00 0.00 H new ATOM 393 N ILE A 28 -2.711 4.866 -3.321 1.00 0.00 N ATOM 394 CA ILE A 28 -3.616 4.163 -4.223 1.00 0.00 C ATOM 395 C ILE A 28 -5.054 4.227 -3.718 1.00 0.00 C ATOM 396 O ILE A 28 -5.321 4.765 -2.645 1.00 0.00 O ATOM 397 CB ILE A 28 -3.208 2.688 -4.393 1.00 0.00 C ATOM 398 CG1 ILE A 28 -2.229 2.277 -3.292 1.00 0.00 C ATOM 399 CG2 ILE A 28 -2.594 2.464 -5.767 1.00 0.00 C ATOM 400 CD1 ILE A 28 -2.859 2.206 -1.918 1.00 0.00 C ATOM 0 H ILE A 28 -2.806 4.604 -2.340 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.550 4.663 -5.189 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.100 2.067 -4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.805 1.304 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.403 2.988 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.311 1.417 -5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.321 2.722 -6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.710 3.092 -5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.106 1.909 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.258 3.184 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.667 1.474 -1.925 1.00 0.00 H new ATOM 412 N GLU A 29 -5.974 3.671 -4.500 1.00 0.00 N ATOM 413 CA GLU A 29 -7.385 3.664 -4.131 1.00 0.00 C ATOM 414 C GLU A 29 -7.963 2.255 -4.219 1.00 0.00 C ATOM 415 O GLU A 29 -7.821 1.575 -5.236 1.00 0.00 O ATOM 416 CB GLU A 29 -8.177 4.609 -5.038 1.00 0.00 C ATOM 417 CG GLU A 29 -9.646 4.719 -4.667 1.00 0.00 C ATOM 418 CD GLU A 29 -10.469 5.405 -5.740 1.00 0.00 C ATOM 419 OE1 GLU A 29 -10.063 5.355 -6.920 1.00 0.00 O ATOM 420 OE2 GLU A 29 -11.517 5.992 -5.401 1.00 0.00 O ATOM 0 H GLU A 29 -5.768 3.220 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.466 4.008 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.726 5.600 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.096 4.263 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.047 3.721 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.740 5.272 -3.733 1.00 0.00 H new ATOM 427 N CYS A 30 -8.615 1.821 -3.145 1.00 0.00 N ATOM 428 CA CYS A 30 -9.214 0.493 -3.098 1.00 0.00 C ATOM 429 C CYS A 30 -10.467 0.430 -3.967 1.00 0.00 C ATOM 430 O CYS A 30 -11.410 1.195 -3.771 1.00 0.00 O ATOM 431 CB CYS A 30 -9.561 0.118 -1.655 1.00 0.00 C ATOM 432 SG CYS A 30 -10.376 -1.502 -1.484 1.00 0.00 S ATOM 0 H CYS A 30 -8.742 2.371 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.487 -0.220 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.647 0.118 -1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.212 0.886 -1.238 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.320 -1.887 -0.244 1.00 0.00 H new ATOM 437 N GLY A 31 -10.468 -0.488 -4.928 1.00 0.00 N ATOM 438 CA GLY A 31 -11.609 -0.634 -5.813 1.00 0.00 C ATOM 439 C GLY A 31 -12.716 -1.467 -5.198 1.00 0.00 C ATOM 440 O GLY A 31 -13.492 -2.105 -5.911 1.00 0.00 O ATOM 0 H GLY A 31 -9.699 -1.133 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.998 0.352 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.285 -1.097 -6.745 1.00 0.00 H new ATOM 444 N LEU A 32 -12.790 -1.464 -3.872 1.00 0.00 N ATOM 445 CA LEU A 32 -13.810 -2.226 -3.160 1.00 0.00 C ATOM 446 C LEU A 32 -14.548 -1.345 -2.158 1.00 0.00 C ATOM 447 O LEU A 32 -15.777 -1.370 -2.081 1.00 0.00 O ATOM 448 CB LEU A 32 -13.174 -3.416 -2.439 1.00 0.00 C ATOM 449 CG LEU A 32 -12.466 -4.440 -3.327 1.00 0.00 C ATOM 450 CD1 LEU A 32 -11.813 -5.520 -2.480 1.00 0.00 C ATOM 451 CD2 LEU A 32 -13.445 -5.054 -4.317 1.00 0.00 C ATOM 0 H LEU A 32 -12.155 -0.942 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.530 -2.594 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.454 -3.034 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.952 -3.931 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.685 -3.927 -3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.314 -6.240 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.081 -5.066 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.575 -6.030 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.924 -5.780 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.248 -5.552 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.865 -4.270 -4.947 1.00 0.00 H new ATOM 463 N CYS A 33 -13.792 -0.564 -1.394 1.00 0.00 N ATOM 464 CA CYS A 33 -14.373 0.327 -0.398 1.00 0.00 C ATOM 465 C CYS A 33 -14.161 1.788 -0.785 1.00 0.00 C ATOM 466 O CYS A 33 -14.679 2.694 -0.134 1.00 0.00 O ATOM 467 CB CYS A 33 -13.760 0.058 0.977 1.00 0.00 C ATOM 468 SG CYS A 33 -11.975 0.407 1.077 1.00 0.00 S ATOM 0 H CYS A 33 -12.774 -0.530 -1.446 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.445 0.133 -0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.280 0.664 1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.931 -0.986 1.241 1.00 0.00 H new ATOM 0 HG CYS A 33 -11.342 -0.318 0.203 1.00 0.00 H new ATOM 473 N GLN A 34 -13.395 2.007 -1.849 1.00 0.00 N ATOM 474 CA GLN A 34 -13.114 3.357 -2.322 1.00 0.00 C ATOM 475 C GLN A 34 -12.356 4.157 -1.268 1.00 0.00 C ATOM 476 O GLN A 34 -12.751 5.268 -0.915 1.00 0.00 O ATOM 477 CB GLN A 34 -14.415 4.075 -2.686 1.00 0.00 C ATOM 478 CG GLN A 34 -14.949 3.708 -4.061 1.00 0.00 C ATOM 479 CD GLN A 34 -16.436 3.966 -4.198 1.00 0.00 C ATOM 480 OE1 GLN A 34 -17.100 4.361 -3.239 1.00 0.00 O ATOM 481 NE2 GLN A 34 -16.968 3.744 -5.394 1.00 0.00 N ATOM 0 H GLN A 34 -12.958 1.267 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.489 3.279 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -15.171 3.840 -1.937 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.250 5.152 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -14.414 4.280 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.748 2.655 -4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -16.380 3.417 -6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -17.964 3.901 -5.546 1.00 0.00 H new ATOM 490 N ASP A 35 -11.266 3.584 -0.768 1.00 0.00 N ATOM 491 CA ASP A 35 -10.452 4.243 0.246 1.00 0.00 C ATOM 492 C ASP A 35 -9.088 4.628 -0.318 1.00 0.00 C ATOM 493 O ASP A 35 -8.835 4.477 -1.513 1.00 0.00 O ATOM 494 CB ASP A 35 -10.277 3.332 1.462 1.00 0.00 C ATOM 495 CG ASP A 35 -11.427 3.448 2.442 1.00 0.00 C ATOM 496 OD1 ASP A 35 -12.525 3.871 2.023 1.00 0.00 O ATOM 497 OD2 ASP A 35 -11.230 3.114 3.629 1.00 0.00 O ATOM 0 H ASP A 35 -10.926 2.664 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.967 5.153 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.191 2.298 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.345 3.582 1.969 1.00 0.00 H new ATOM 502 N TRP A 36 -8.214 5.126 0.549 1.00 0.00 N ATOM 503 CA TRP A 36 -6.876 5.533 0.137 1.00 0.00 C ATOM 504 C TRP A 36 -5.834 5.094 1.160 1.00 0.00 C ATOM 505 O TRP A 36 -6.042 5.223 2.367 1.00 0.00 O ATOM 506 CB TRP A 36 -6.817 7.050 -0.050 1.00 0.00 C ATOM 507 CG TRP A 36 -7.479 7.519 -1.310 1.00 0.00 C ATOM 508 CD1 TRP A 36 -8.807 7.786 -1.488 1.00 0.00 C ATOM 509 CD2 TRP A 36 -6.845 7.774 -2.568 1.00 0.00 C ATOM 510 NE1 TRP A 36 -9.036 8.192 -2.780 1.00 0.00 N ATOM 511 CE2 TRP A 36 -7.848 8.194 -3.463 1.00 0.00 C ATOM 512 CE3 TRP A 36 -5.527 7.691 -3.024 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -7.572 8.528 -4.786 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -5.255 8.022 -4.338 1.00 0.00 C ATOM 515 CH2 TRP A 36 -6.273 8.437 -5.207 1.00 0.00 C ATOM 0 H TRP A 36 -8.408 5.258 1.542 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.652 5.048 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.293 7.533 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.774 7.368 -0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.565 7.692 -0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -9.943 8.450 -3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.735 7.374 -2.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.356 8.848 -5.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.240 7.960 -4.701 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.028 8.690 -6.228 1.00 0.00 H new ATOM 526 N PHE A 37 -4.712 4.575 0.671 1.00 0.00 N ATOM 527 CA PHE A 37 -3.638 4.116 1.544 1.00 0.00 C ATOM 528 C PHE A 37 -2.273 4.427 0.936 1.00 0.00 C ATOM 529 O PHE A 37 -2.177 4.865 -0.211 1.00 0.00 O ATOM 530 CB PHE A 37 -3.765 2.613 1.797 1.00 0.00 C ATOM 531 CG PHE A 37 -5.081 2.216 2.403 1.00 0.00 C ATOM 532 CD1 PHE A 37 -6.201 2.040 1.607 1.00 0.00 C ATOM 533 CD2 PHE A 37 -5.198 2.020 3.770 1.00 0.00 C ATOM 534 CE1 PHE A 37 -7.413 1.675 2.161 1.00 0.00 C ATOM 535 CE2 PHE A 37 -6.407 1.654 4.330 1.00 0.00 C ATOM 536 CZ PHE A 37 -7.517 1.483 3.525 1.00 0.00 C ATOM 0 H PHE A 37 -4.523 4.462 -0.325 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.723 4.646 2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.633 2.082 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.959 2.295 2.458 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.126 2.190 0.540 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.335 2.155 4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.278 1.540 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.484 1.502 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.464 1.200 3.961 1.00 0.00 H new ATOM 546 N HIS A 38 -1.220 4.199 1.714 1.00 0.00 N ATOM 547 CA HIS A 38 0.140 4.454 1.253 1.00 0.00 C ATOM 548 C HIS A 38 0.810 3.162 0.795 1.00 0.00 C ATOM 549 O HIS A 38 0.427 2.071 1.212 1.00 0.00 O ATOM 550 CB HIS A 38 0.964 5.103 2.365 1.00 0.00 C ATOM 551 CG HIS A 38 0.514 6.489 2.714 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.051 6.837 3.965 1.00 0.00 N ATOM 553 CD2 HIS A 38 0.461 7.616 1.967 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.271 8.119 3.972 1.00 0.00 C ATOM 555 NE2 HIS A 38 -0.031 8.615 2.771 1.00 0.00 N ATOM 0 H HIS A 38 -1.282 3.838 2.666 1.00 0.00 H new ATOM 0 HA HIS A 38 0.088 5.136 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.912 4.478 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.010 5.136 2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.752 7.712 0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.663 8.668 4.816 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.186 9.582 2.487 1.00 0.00 H new ATOM 563 N GLY A 39 1.814 3.295 -0.067 1.00 0.00 N ATOM 564 CA GLY A 39 2.521 2.131 -0.568 1.00 0.00 C ATOM 565 C GLY A 39 3.385 1.477 0.492 1.00 0.00 C ATOM 566 O GLY A 39 3.592 0.264 0.472 1.00 0.00 O ATOM 0 H GLY A 39 2.150 4.188 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.800 1.405 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.146 2.424 -1.412 1.00 0.00 H new ATOM 570 N SER A 40 3.893 2.282 1.419 1.00 0.00 N ATOM 571 CA SER A 40 4.745 1.775 2.489 1.00 0.00 C ATOM 572 C SER A 40 3.907 1.149 3.599 1.00 0.00 C ATOM 573 O SER A 40 4.392 0.312 4.361 1.00 0.00 O ATOM 574 CB SER A 40 5.609 2.902 3.059 1.00 0.00 C ATOM 575 OG SER A 40 6.773 2.387 3.681 1.00 0.00 O ATOM 0 H SER A 40 3.730 3.288 1.451 1.00 0.00 H new ATOM 0 HA SER A 40 5.394 1.006 2.070 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.893 3.587 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.031 3.478 3.782 1.00 0.00 H new ATOM 0 HG SER A 40 7.309 3.127 4.036 1.00 0.00 H new ATOM 581 N CYS A 41 2.647 1.562 3.685 1.00 0.00 N ATOM 582 CA CYS A 41 1.740 1.043 4.702 1.00 0.00 C ATOM 583 C CYS A 41 1.028 -0.212 4.207 1.00 0.00 C ATOM 584 O CYS A 41 0.707 -1.107 4.989 1.00 0.00 O ATOM 585 CB CYS A 41 0.712 2.108 5.089 1.00 0.00 C ATOM 586 SG CYS A 41 1.431 3.589 5.868 1.00 0.00 S ATOM 0 H CYS A 41 2.231 2.255 3.063 1.00 0.00 H new ATOM 0 HA CYS A 41 2.330 0.781 5.580 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.164 2.410 4.196 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.012 1.666 5.773 1.00 0.00 H new ATOM 0 HG CYS A 41 0.483 4.431 6.156 1.00 0.00 H new ATOM 591 N VAL A 42 0.783 -0.271 2.902 1.00 0.00 N ATOM 592 CA VAL A 42 0.110 -1.416 2.301 1.00 0.00 C ATOM 593 C VAL A 42 1.107 -2.336 1.606 1.00 0.00 C ATOM 594 O VAL A 42 0.889 -3.543 1.508 1.00 0.00 O ATOM 595 CB VAL A 42 -0.956 -0.970 1.283 1.00 0.00 C ATOM 596 CG1 VAL A 42 -1.920 0.021 1.918 1.00 0.00 C ATOM 597 CG2 VAL A 42 -0.297 -0.369 0.050 1.00 0.00 C ATOM 0 H VAL A 42 1.041 0.461 2.240 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.377 -1.958 3.111 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.525 -1.846 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.666 0.325 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.417 -0.448 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.369 0.897 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.065 -0.059 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.298 0.496 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.348 -1.113 -0.417 1.00 0.00 H new ATOM 607 N GLY A 43 2.203 -1.758 1.124 1.00 0.00 N ATOM 608 CA GLY A 43 3.218 -2.541 0.444 1.00 0.00 C ATOM 609 C GLY A 43 3.084 -2.478 -1.065 1.00 0.00 C ATOM 610 O GLY A 43 3.274 -3.481 -1.753 1.00 0.00 O ATOM 0 H GLY A 43 2.406 -0.761 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.205 -2.181 0.733 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.150 -3.579 0.769 1.00 0.00 H new ATOM 614 N ILE A 44 2.755 -1.298 -1.579 1.00 0.00 N ATOM 615 CA ILE A 44 2.596 -1.110 -3.016 1.00 0.00 C ATOM 616 C ILE A 44 3.519 -0.011 -3.532 1.00 0.00 C ATOM 617 O ILE A 44 3.851 0.925 -2.806 1.00 0.00 O ATOM 618 CB ILE A 44 1.142 -0.755 -3.379 1.00 0.00 C ATOM 619 CG1 ILE A 44 0.220 -1.946 -3.106 1.00 0.00 C ATOM 620 CG2 ILE A 44 1.049 -0.330 -4.837 1.00 0.00 C ATOM 621 CD1 ILE A 44 -1.249 -1.618 -3.254 1.00 0.00 C ATOM 0 H ILE A 44 2.593 -0.458 -1.023 1.00 0.00 H new ATOM 0 HA ILE A 44 2.860 -2.056 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 44 0.821 0.080 -2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.474 -2.756 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.402 -2.312 -2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.015 -0.082 -5.079 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.680 0.544 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.385 -1.146 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.843 -2.508 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.518 -0.829 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.446 -1.280 -4.271 1.00 0.00 H new ATOM 633 N GLU A 45 3.929 -0.133 -4.791 1.00 0.00 N ATOM 634 CA GLU A 45 4.813 0.851 -5.404 1.00 0.00 C ATOM 635 C GLU A 45 4.144 1.510 -6.607 1.00 0.00 C ATOM 636 O GLU A 45 3.403 0.865 -7.348 1.00 0.00 O ATOM 637 CB GLU A 45 6.125 0.192 -5.834 1.00 0.00 C ATOM 638 CG GLU A 45 7.039 -0.161 -4.673 1.00 0.00 C ATOM 639 CD GLU A 45 8.068 -1.213 -5.039 1.00 0.00 C ATOM 640 OE1 GLU A 45 7.756 -2.416 -4.917 1.00 0.00 O ATOM 641 OE2 GLU A 45 9.186 -0.833 -5.447 1.00 0.00 O ATOM 0 H GLU A 45 3.663 -0.903 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 45 5.027 1.621 -4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.899 -0.714 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.654 0.863 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.551 0.739 -4.332 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.437 -0.521 -3.839 1.00 0.00 H new ATOM 648 N GLU A 46 4.410 2.799 -6.792 1.00 0.00 N ATOM 649 CA GLU A 46 3.832 3.546 -7.904 1.00 0.00 C ATOM 650 C GLU A 46 4.075 2.826 -9.227 1.00 0.00 C ATOM 651 O GLU A 46 3.205 2.793 -10.096 1.00 0.00 O ATOM 652 CB GLU A 46 4.422 4.956 -7.962 1.00 0.00 C ATOM 653 CG GLU A 46 3.546 5.952 -8.702 1.00 0.00 C ATOM 654 CD GLU A 46 4.304 7.198 -9.119 1.00 0.00 C ATOM 655 OE1 GLU A 46 4.827 7.900 -8.228 1.00 0.00 O ATOM 656 OE2 GLU A 46 4.374 7.471 -10.336 1.00 0.00 O ATOM 0 H GLU A 46 5.021 3.348 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 46 2.757 3.617 -7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.586 5.314 -6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.398 4.913 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.126 5.474 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.708 6.237 -8.065 1.00 0.00 H new ATOM 663 N GLU A 47 5.265 2.251 -9.372 1.00 0.00 N ATOM 664 CA GLU A 47 5.623 1.533 -10.589 1.00 0.00 C ATOM 665 C GLU A 47 4.692 0.345 -10.814 1.00 0.00 C ATOM 666 O GLU A 47 4.448 -0.059 -11.950 1.00 0.00 O ATOM 667 CB GLU A 47 7.074 1.052 -10.516 1.00 0.00 C ATOM 668 CG GLU A 47 7.276 -0.132 -9.585 1.00 0.00 C ATOM 669 CD GLU A 47 8.684 -0.199 -9.025 1.00 0.00 C ATOM 670 OE1 GLU A 47 9.608 0.330 -9.677 1.00 0.00 O ATOM 671 OE2 GLU A 47 8.860 -0.780 -7.934 1.00 0.00 O ATOM 0 H GLU A 47 5.997 2.269 -8.662 1.00 0.00 H new ATOM 0 HA GLU A 47 5.517 2.219 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.408 0.778 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.705 1.876 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.564 -0.068 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.059 -1.054 -10.124 1.00 0.00 H new ATOM 678 N ASN A 48 4.177 -0.211 -9.722 1.00 0.00 N ATOM 679 CA ASN A 48 3.274 -1.353 -9.799 1.00 0.00 C ATOM 680 C ASN A 48 1.825 -0.894 -9.926 1.00 0.00 C ATOM 681 O ASN A 48 1.014 -1.540 -10.589 1.00 0.00 O ATOM 682 CB ASN A 48 3.434 -2.240 -8.563 1.00 0.00 C ATOM 683 CG ASN A 48 4.623 -3.176 -8.672 1.00 0.00 C ATOM 684 OD1 ASN A 48 4.753 -3.921 -9.643 1.00 0.00 O ATOM 685 ND2 ASN A 48 5.497 -3.141 -7.673 1.00 0.00 N ATOM 0 H ASN A 48 4.370 0.111 -8.774 1.00 0.00 H new ATOM 0 HA ASN A 48 3.532 -1.929 -10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.550 -1.611 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.526 -2.826 -8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.317 -3.748 -7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.349 -2.507 -6.888 1.00 0.00 H new ATOM 692 N ALA A 49 1.507 0.226 -9.285 1.00 0.00 N ATOM 693 CA ALA A 49 0.157 0.774 -9.328 1.00 0.00 C ATOM 694 C ALA A 49 -0.369 0.827 -10.758 1.00 0.00 C ATOM 695 O ALA A 49 -1.452 0.319 -11.051 1.00 0.00 O ATOM 696 CB ALA A 49 0.130 2.161 -8.702 1.00 0.00 C ATOM 0 H ALA A 49 2.166 0.772 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.494 0.115 -8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.884 2.558 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.455 2.098 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.800 2.822 -9.252 1.00 0.00 H new ATOM 702 N VAL A 50 0.404 1.445 -11.646 1.00 0.00 N ATOM 703 CA VAL A 50 0.016 1.563 -13.046 1.00 0.00 C ATOM 704 C VAL A 50 -0.394 0.211 -13.619 1.00 0.00 C ATOM 705 O VAL A 50 -1.059 0.139 -14.653 1.00 0.00 O ATOM 706 CB VAL A 50 1.160 2.144 -13.898 1.00 0.00 C ATOM 707 CG1 VAL A 50 2.345 1.192 -13.922 1.00 0.00 C ATOM 708 CG2 VAL A 50 0.675 2.440 -15.310 1.00 0.00 C ATOM 0 H VAL A 50 1.303 1.872 -11.420 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.836 2.242 -13.082 1.00 0.00 H new ATOM 0 HB VAL A 50 1.486 3.081 -13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.143 1.620 -14.529 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.706 1.035 -12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.036 0.238 -14.349 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.496 2.850 -15.898 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.321 1.519 -15.774 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.140 3.163 -15.271 1.00 0.00 H new ATOM 718 N ASP A 51 0.006 -0.858 -12.941 1.00 0.00 N ATOM 719 CA ASP A 51 -0.320 -2.210 -13.381 1.00 0.00 C ATOM 720 C ASP A 51 -1.485 -2.777 -12.576 1.00 0.00 C ATOM 721 O ASP A 51 -2.224 -3.637 -13.056 1.00 0.00 O ATOM 722 CB ASP A 51 0.900 -3.122 -13.249 1.00 0.00 C ATOM 723 CG ASP A 51 1.956 -2.832 -14.297 1.00 0.00 C ATOM 724 OD1 ASP A 51 1.612 -2.223 -15.332 1.00 0.00 O ATOM 725 OD2 ASP A 51 3.126 -3.215 -14.084 1.00 0.00 O ATOM 0 H ASP A 51 0.557 -0.815 -12.084 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.615 -2.163 -14.429 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.334 -3.001 -12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.584 -4.162 -13.334 1.00 0.00 H new ATOM 730 N ILE A 52 -1.641 -2.291 -11.349 1.00 0.00 N ATOM 731 CA ILE A 52 -2.715 -2.750 -10.477 1.00 0.00 C ATOM 732 C ILE A 52 -4.073 -2.266 -10.976 1.00 0.00 C ATOM 733 O ILE A 52 -4.505 -1.159 -10.655 1.00 0.00 O ATOM 734 CB ILE A 52 -2.511 -2.266 -9.029 1.00 0.00 C ATOM 735 CG1 ILE A 52 -1.170 -2.764 -8.486 1.00 0.00 C ATOM 736 CG2 ILE A 52 -3.655 -2.740 -8.146 1.00 0.00 C ATOM 737 CD1 ILE A 52 -0.796 -2.159 -7.151 1.00 0.00 C ATOM 0 H ILE A 52 -1.037 -1.580 -10.937 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.691 -3.840 -10.494 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.502 -1.176 -9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.208 -3.849 -8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.387 -2.538 -9.210 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.496 -2.390 -7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.596 -2.341 -8.524 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.694 -3.829 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.166 -2.558 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.725 -1.076 -7.249 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.558 -2.407 -6.413 1.00 0.00 H new ATOM 749 N ASP A 53 -4.741 -3.104 -11.761 1.00 0.00 N ATOM 750 CA ASP A 53 -6.052 -2.763 -12.303 1.00 0.00 C ATOM 751 C ASP A 53 -7.017 -2.376 -11.186 1.00 0.00 C ATOM 752 O ASP A 53 -7.816 -1.451 -11.337 1.00 0.00 O ATOM 753 CB ASP A 53 -6.619 -3.939 -13.099 1.00 0.00 C ATOM 754 CG ASP A 53 -7.490 -3.489 -14.255 1.00 0.00 C ATOM 755 OD1 ASP A 53 -7.956 -2.330 -14.231 1.00 0.00 O ATOM 756 OD2 ASP A 53 -7.705 -4.295 -15.184 1.00 0.00 O ATOM 0 H ASP A 53 -4.397 -4.024 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.933 -1.908 -12.968 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.798 -4.545 -13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.203 -4.576 -12.435 1.00 0.00 H new ATOM 761 N ILE A 54 -6.937 -3.089 -10.068 1.00 0.00 N ATOM 762 CA ILE A 54 -7.803 -2.819 -8.927 1.00 0.00 C ATOM 763 C ILE A 54 -7.104 -3.154 -7.615 1.00 0.00 C ATOM 764 O ILE A 54 -6.955 -4.323 -7.259 1.00 0.00 O ATOM 765 CB ILE A 54 -9.116 -3.620 -9.015 1.00 0.00 C ATOM 766 CG1 ILE A 54 -9.781 -3.404 -10.376 1.00 0.00 C ATOM 767 CG2 ILE A 54 -10.058 -3.219 -7.890 1.00 0.00 C ATOM 768 CD1 ILE A 54 -11.129 -4.077 -10.504 1.00 0.00 C ATOM 0 H ILE A 54 -6.282 -3.858 -9.928 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.034 -1.754 -8.951 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.885 -4.680 -8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.901 -2.334 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.121 -3.780 -11.158 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.981 -3.794 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.584 -3.420 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.285 -2.156 -7.967 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.541 -3.881 -11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.014 -5.152 -10.365 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.806 -3.684 -9.745 1.00 0.00 H new ATOM 780 N TYR A 55 -6.678 -2.120 -6.897 1.00 0.00 N ATOM 781 CA TYR A 55 -5.993 -2.304 -5.623 1.00 0.00 C ATOM 782 C TYR A 55 -6.977 -2.704 -4.529 1.00 0.00 C ATOM 783 O TYR A 55 -8.072 -2.149 -4.429 1.00 0.00 O ATOM 784 CB TYR A 55 -5.262 -1.021 -5.224 1.00 0.00 C ATOM 785 CG TYR A 55 -5.020 -0.901 -3.736 1.00 0.00 C ATOM 786 CD1 TYR A 55 -4.135 -1.750 -3.084 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.677 0.064 -2.982 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.912 -1.644 -1.725 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.459 0.179 -1.622 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.576 -0.678 -0.999 1.00 0.00 C ATOM 791 OH TYR A 55 -4.355 -0.568 0.355 1.00 0.00 O ATOM 0 H TYR A 55 -6.795 -1.146 -7.176 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.265 -3.107 -5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.305 -0.981 -5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.843 -0.162 -5.560 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.612 -2.507 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.370 0.736 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.222 -2.314 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.977 0.935 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.875 0.183 0.711 1.00 0.00 H new ATOM 801 N HIS A 56 -6.579 -3.671 -3.708 1.00 0.00 N ATOM 802 CA HIS A 56 -7.425 -4.146 -2.619 1.00 0.00 C ATOM 803 C HIS A 56 -6.770 -3.880 -1.267 1.00 0.00 C ATOM 804 O HIS A 56 -5.748 -4.480 -0.931 1.00 0.00 O ATOM 805 CB HIS A 56 -7.706 -5.641 -2.777 1.00 0.00 C ATOM 806 CG HIS A 56 -8.669 -5.955 -3.880 1.00 0.00 C ATOM 807 ND1 HIS A 56 -9.190 -7.215 -4.087 1.00 0.00 N ATOM 808 CD2 HIS A 56 -9.208 -5.165 -4.837 1.00 0.00 C ATOM 809 CE1 HIS A 56 -10.006 -7.187 -5.125 1.00 0.00 C ATOM 810 NE2 HIS A 56 -10.035 -5.954 -5.599 1.00 0.00 N ATOM 0 H HIS A 56 -5.676 -4.141 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.368 -3.601 -2.660 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.767 -6.161 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.102 -6.029 -1.839 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -8.978 -8.040 -3.526 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.023 -4.110 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.556 -8.029 -5.519 1.00 0.00 H new ATOM 819 N CYS A 57 -7.363 -2.975 -0.495 1.00 0.00 N ATOM 820 CA CYS A 57 -6.837 -2.628 0.820 1.00 0.00 C ATOM 821 C CYS A 57 -6.697 -3.870 1.695 1.00 0.00 C ATOM 822 O CYS A 57 -7.367 -4.883 1.490 1.00 0.00 O ATOM 823 CB CYS A 57 -7.750 -1.608 1.504 1.00 0.00 C ATOM 824 SG CYS A 57 -9.272 -2.324 2.203 1.00 0.00 S ATOM 0 H CYS A 57 -8.209 -2.469 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.849 -2.188 0.685 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.193 -1.115 2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.022 -0.838 0.782 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.990 -2.836 1.247 1.00 0.00 H new ATOM 829 N PRO A 58 -5.807 -3.792 2.695 1.00 0.00 N ATOM 830 CA PRO A 58 -5.559 -4.900 3.623 1.00 0.00 C ATOM 831 C PRO A 58 -6.737 -5.147 4.559 1.00 0.00 C ATOM 832 O PRO A 58 -6.654 -5.967 5.474 1.00 0.00 O ATOM 833 CB PRO A 58 -4.336 -4.432 4.415 1.00 0.00 C ATOM 834 CG PRO A 58 -4.382 -2.945 4.341 1.00 0.00 C ATOM 835 CD PRO A 58 -4.975 -2.616 2.999 1.00 0.00 C ATOM 0 HA PRO A 58 -5.409 -5.844 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.377 -4.778 5.448 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.413 -4.821 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.988 -2.533 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.384 -2.518 4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.569 -1.703 3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.203 -2.465 2.245 1.00 0.00 H new ATOM 843 N ASP A 59 -7.833 -4.433 4.325 1.00 0.00 N ATOM 844 CA ASP A 59 -9.029 -4.576 5.147 1.00 0.00 C ATOM 845 C ASP A 59 -10.115 -5.342 4.398 1.00 0.00 C ATOM 846 O ASP A 59 -10.979 -5.971 5.009 1.00 0.00 O ATOM 847 CB ASP A 59 -9.553 -3.202 5.566 1.00 0.00 C ATOM 848 CG ASP A 59 -10.214 -3.225 6.930 1.00 0.00 C ATOM 849 OD1 ASP A 59 -10.642 -4.315 7.364 1.00 0.00 O ATOM 850 OD2 ASP A 59 -10.302 -2.153 7.565 1.00 0.00 O ATOM 0 H ASP A 59 -7.918 -3.749 3.573 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.761 -5.141 6.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.728 -2.490 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.269 -2.848 4.824 1.00 0.00 H new ATOM 855 N CYS A 60 -10.065 -5.283 3.072 1.00 0.00 N ATOM 856 CA CYS A 60 -11.044 -5.970 2.238 1.00 0.00 C ATOM 857 C CYS A 60 -10.495 -7.304 1.740 1.00 0.00 C ATOM 858 O CYS A 60 -11.244 -8.261 1.549 1.00 0.00 O ATOM 859 CB CYS A 60 -11.438 -5.091 1.049 1.00 0.00 C ATOM 860 SG CYS A 60 -12.167 -3.489 1.517 1.00 0.00 S ATOM 0 H CYS A 60 -9.356 -4.766 2.551 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.928 -6.166 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.555 -4.911 0.436 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.151 -5.635 0.429 1.00 0.00 H new ATOM 0 HG CYS A 60 -11.300 -2.800 2.198 1.00 0.00 H new ATOM 865 N GLU A 61 -9.183 -7.356 1.531 1.00 0.00 N ATOM 866 CA GLU A 61 -8.535 -8.572 1.054 1.00 0.00 C ATOM 867 C GLU A 61 -8.862 -9.755 1.962 1.00 0.00 C ATOM 868 O GLU A 61 -8.808 -10.909 1.538 1.00 0.00 O ATOM 869 CB GLU A 61 -7.019 -8.374 0.983 1.00 0.00 C ATOM 870 CG GLU A 61 -6.241 -9.672 0.849 1.00 0.00 C ATOM 871 CD GLU A 61 -4.767 -9.444 0.580 1.00 0.00 C ATOM 872 OE1 GLU A 61 -4.258 -8.364 0.947 1.00 0.00 O ATOM 873 OE2 GLU A 61 -4.122 -10.343 0.002 1.00 0.00 O ATOM 0 H GLU A 61 -8.549 -6.572 1.684 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.914 -8.787 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.785 -7.731 0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.687 -7.852 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.354 -10.255 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.667 -10.264 0.039 1.00 0.00 H new ATOM 880 N ALA A 62 -9.200 -9.458 3.212 1.00 0.00 N ATOM 881 CA ALA A 62 -9.537 -10.495 4.180 1.00 0.00 C ATOM 882 C ALA A 62 -10.895 -11.114 3.870 1.00 0.00 C ATOM 883 O ALA A 62 -11.339 -12.036 4.554 1.00 0.00 O ATOM 884 CB ALA A 62 -9.524 -9.925 5.590 1.00 0.00 C ATOM 0 H ALA A 62 -9.248 -8.507 3.579 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.785 -11.281 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.777 -10.710 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.531 -9.536 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.254 -9.119 5.663 1.00 0.00 H new ATOM 890 N VAL A 63 -11.552 -10.601 2.834 1.00 0.00 N ATOM 891 CA VAL A 63 -12.860 -11.104 2.433 1.00 0.00 C ATOM 892 C VAL A 63 -12.938 -11.290 0.922 1.00 0.00 C ATOM 893 O VAL A 63 -13.388 -12.328 0.435 1.00 0.00 O ATOM 894 CB VAL A 63 -13.988 -10.156 2.882 1.00 0.00 C ATOM 895 CG1 VAL A 63 -15.347 -10.810 2.682 1.00 0.00 C ATOM 896 CG2 VAL A 63 -13.792 -9.746 4.333 1.00 0.00 C ATOM 0 H VAL A 63 -11.199 -9.837 2.257 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.991 -12.069 2.922 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.951 -9.257 2.266 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.131 -10.125 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -15.485 -11.048 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -15.400 -11.726 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.598 -9.076 4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.802 -10.633 4.966 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.836 -9.234 4.440 1.00 0.00 H new ATOM 906 N PHE A 64 -12.497 -10.277 0.183 1.00 0.00 N ATOM 907 CA PHE A 64 -12.517 -10.328 -1.274 1.00 0.00 C ATOM 908 C PHE A 64 -11.335 -11.133 -1.806 1.00 0.00 C ATOM 909 O PHE A 64 -11.502 -12.028 -2.633 1.00 0.00 O ATOM 910 CB PHE A 64 -12.488 -8.913 -1.855 1.00 0.00 C ATOM 911 CG PHE A 64 -13.808 -8.202 -1.770 1.00 0.00 C ATOM 912 CD1 PHE A 64 -14.263 -7.700 -0.561 1.00 0.00 C ATOM 913 CD2 PHE A 64 -14.595 -8.037 -2.898 1.00 0.00 C ATOM 914 CE1 PHE A 64 -15.477 -7.045 -0.479 1.00 0.00 C ATOM 915 CE2 PHE A 64 -15.811 -7.383 -2.822 1.00 0.00 C ATOM 916 CZ PHE A 64 -16.253 -6.888 -1.611 1.00 0.00 C ATOM 0 H PHE A 64 -12.121 -9.411 0.569 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.438 -10.821 -1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.735 -8.328 -1.327 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.179 -8.964 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -13.662 -7.822 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -14.255 -8.423 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -15.819 -6.656 0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -16.415 -7.259 -3.709 1.00 0.00 H new ATOM 0 HZ PHE A 64 -17.204 -6.379 -1.549 1.00 0.00 H new ATOM 926 N GLY A 65 -10.139 -10.806 -1.326 1.00 0.00 N ATOM 927 CA GLY A 65 -8.946 -11.506 -1.765 1.00 0.00 C ATOM 928 C GLY A 65 -7.816 -10.561 -2.121 1.00 0.00 C ATOM 929 O GLY A 65 -7.769 -9.418 -1.667 1.00 0.00 O ATOM 0 H GLY A 65 -9.975 -10.069 -0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.615 -12.182 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.188 -12.121 -2.632 1.00 0.00 H new ATOM 933 N PRO A 66 -6.879 -11.040 -2.952 1.00 0.00 N ATOM 934 CA PRO A 66 -5.726 -10.245 -3.386 1.00 0.00 C ATOM 935 C PRO A 66 -6.123 -9.114 -4.328 1.00 0.00 C ATOM 936 O PRO A 66 -7.278 -9.015 -4.743 1.00 0.00 O ATOM 937 CB PRO A 66 -4.847 -11.265 -4.115 1.00 0.00 C ATOM 938 CG PRO A 66 -5.793 -12.319 -4.576 1.00 0.00 C ATOM 939 CD PRO A 66 -6.872 -12.393 -3.532 1.00 0.00 C ATOM 0 HA PRO A 66 -5.230 -9.755 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.324 -10.808 -4.955 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.087 -11.678 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.210 -12.069 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.287 -13.278 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.837 -12.648 -3.969 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.653 -13.151 -2.780 1.00 0.00 H new ATOM 947 N SER A 67 -5.158 -8.263 -4.664 1.00 0.00 N ATOM 948 CA SER A 67 -5.409 -7.137 -5.555 1.00 0.00 C ATOM 949 C SER A 67 -5.366 -7.579 -7.014 1.00 0.00 C ATOM 950 O SER A 67 -4.471 -8.319 -7.424 1.00 0.00 O ATOM 951 CB SER A 67 -4.379 -6.031 -5.315 1.00 0.00 C ATOM 952 OG SER A 67 -3.058 -6.536 -5.402 1.00 0.00 O ATOM 0 H SER A 67 -4.196 -8.332 -4.332 1.00 0.00 H new ATOM 0 HA SER A 67 -6.405 -6.750 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.517 -5.236 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.538 -5.589 -4.332 1.00 0.00 H new ATOM 0 HG SER A 67 -2.419 -5.809 -5.247 1.00 0.00 H new ATOM 958 N ILE A 68 -6.339 -7.119 -7.794 1.00 0.00 N ATOM 959 CA ILE A 68 -6.412 -7.466 -9.208 1.00 0.00 C ATOM 960 C ILE A 68 -5.287 -6.803 -9.995 1.00 0.00 C ATOM 961 O ILE A 68 -4.729 -5.793 -9.569 1.00 0.00 O ATOM 962 CB ILE A 68 -7.764 -7.053 -9.819 1.00 0.00 C ATOM 963 CG1 ILE A 68 -8.915 -7.499 -8.915 1.00 0.00 C ATOM 964 CG2 ILE A 68 -7.918 -7.645 -11.212 1.00 0.00 C ATOM 965 CD1 ILE A 68 -8.946 -8.991 -8.668 1.00 0.00 C ATOM 0 H ILE A 68 -7.087 -6.506 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.308 -8.549 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.792 -5.966 -9.901 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.836 -6.982 -7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.859 -7.194 -9.366 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.878 -7.344 -11.631 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.114 -7.283 -11.852 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.873 -8.732 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -9.787 -9.235 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.056 -9.515 -9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.017 -9.300 -8.189 1.00 0.00 H new ATOM 977 N MET A 69 -4.961 -7.378 -11.149 1.00 0.00 N ATOM 978 CA MET A 69 -3.905 -6.840 -11.998 1.00 0.00 C ATOM 979 C MET A 69 -4.355 -6.780 -13.454 1.00 0.00 C ATOM 980 O MET A 69 -5.012 -7.696 -13.950 1.00 0.00 O ATOM 981 CB MET A 69 -2.641 -7.694 -11.878 1.00 0.00 C ATOM 982 CG MET A 69 -2.051 -7.713 -10.478 1.00 0.00 C ATOM 983 SD MET A 69 -0.271 -8.000 -10.478 1.00 0.00 S ATOM 984 CE MET A 69 0.343 -6.326 -10.647 1.00 0.00 C ATOM 0 H MET A 69 -5.413 -8.215 -11.517 1.00 0.00 H new ATOM 0 HA MET A 69 -3.684 -5.827 -11.663 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.873 -8.716 -12.180 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.891 -7.318 -12.574 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.262 -6.763 -9.986 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.541 -8.491 -9.892 1.00 0.00 H new ATOM 0 HE1 MET A 69 1.433 -6.338 -10.663 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.028 -5.894 -11.576 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.001 -5.725 -9.805 1.00 0.00 H new ATOM 994 N LYS A 70 -3.999 -5.696 -14.135 1.00 0.00 N ATOM 995 CA LYS A 70 -4.365 -5.516 -15.535 1.00 0.00 C ATOM 996 C LYS A 70 -3.849 -6.672 -16.385 1.00 0.00 C ATOM 997 O LYS A 70 -3.100 -7.521 -15.905 1.00 0.00 O ATOM 998 CB LYS A 70 -3.809 -4.192 -16.062 1.00 0.00 C ATOM 999 CG LYS A 70 -4.376 -2.970 -15.360 1.00 0.00 C ATOM 1000 CD LYS A 70 -3.995 -1.687 -16.078 1.00 0.00 C ATOM 1001 CE LYS A 70 -3.907 -0.514 -15.114 1.00 0.00 C ATOM 1002 NZ LYS A 70 -3.664 0.772 -15.825 1.00 0.00 N ATOM 0 H LYS A 70 -3.457 -4.928 -13.739 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.453 -5.498 -15.601 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.725 -4.193 -15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.020 -4.118 -17.129 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.462 -3.050 -15.308 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.010 -2.936 -14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.036 -1.820 -16.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.731 -1.469 -16.852 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.832 -0.444 -14.542 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.103 -0.691 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.281 1.509 -15.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.670 1.052 -15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.871 0.654 -16.837 1.00 0.00 H new