USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 760 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 70 CYS SG : rot 180:sc= 0.734 USER MOD Set 1.2: A 73 CYS SG : rot -49:sc= 0.505 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -166:sc= -0.256 (180deg=-0.46) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -0.234 F(o=-1.5,f=-0.49) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00976 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.334 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -132:sc= 0.121 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 83:sc= 0.846 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -97:sc= 1.77 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 128 N SER A 9 4.177 -2.321 -12.932 1.00 1.00 N ATOM 129 CA SER A 9 3.229 -3.110 -13.771 1.00 1.00 C ATOM 130 C SER A 9 1.755 -2.664 -13.630 1.00 1.00 C ATOM 131 O SER A 9 0.963 -2.819 -14.584 1.00 1.00 O ATOM 132 CB SER A 9 3.350 -4.571 -13.455 1.00 1.00 C ATOM 133 OG SER A 9 4.487 -5.121 -14.078 1.00 1.00 O ATOM 0 HA SER A 9 3.513 -2.922 -14.806 1.00 1.00 H new ATOM 0 HB2 SER A 9 3.417 -4.711 -12.376 1.00 1.00 H new ATOM 0 HB3 SER A 9 2.455 -5.096 -13.790 1.00 1.00 H new ATOM 0 HG SER A 9 4.551 -6.074 -13.859 1.00 1.00 H new ATOM 139 N ALA A 10 1.437 -2.035 -12.442 1.00 1.00 N ATOM 140 CA ALA A 10 0.098 -1.503 -12.131 1.00 1.00 C ATOM 141 C ALA A 10 -0.219 -0.163 -12.832 1.00 1.00 C ATOM 142 O ALA A 10 -1.385 0.109 -13.155 1.00 1.00 O ATOM 143 CB ALA A 10 -0.076 -1.377 -10.651 1.00 1.00 C ATOM 0 H ALA A 10 2.113 -1.894 -11.692 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.618 -2.223 -12.527 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -1.069 -0.983 -10.434 1.00 1.00 H new ATOM 0 HB2 ALA A 10 0.035 -2.357 -10.187 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.679 -0.699 -10.252 1.00 1.00 H new ATOM 149 N THR A 11 0.868 0.606 -13.143 1.00 1.00 N ATOM 150 CA THR A 11 0.794 1.925 -13.840 1.00 1.00 C ATOM 151 C THR A 11 0.645 1.799 -15.354 1.00 1.00 C ATOM 152 O THR A 11 -0.094 2.576 -15.965 1.00 1.00 O ATOM 153 CB THR A 11 2.000 2.824 -13.525 1.00 1.00 C ATOM 154 OG1 THR A 11 3.232 2.064 -13.519 1.00 1.00 O ATOM 155 CG2 THR A 11 1.816 3.538 -12.200 1.00 1.00 C ATOM 0 H THR A 11 1.822 0.326 -12.916 1.00 1.00 H new ATOM 0 HA THR A 11 -0.109 2.392 -13.447 1.00 1.00 H new ATOM 0 HB THR A 11 2.064 3.573 -14.314 1.00 1.00 H new ATOM 0 HG1 THR A 11 3.983 2.660 -13.318 1.00 1.00 H new ATOM 0 HG21 THR A 11 2.684 4.167 -12.002 1.00 1.00 H new ATOM 0 HG22 THR A 11 0.920 4.158 -12.242 1.00 1.00 H new ATOM 0 HG23 THR A 11 1.711 2.803 -11.402 1.00 1.00 H new ATOM 163 N ARG A 12 1.347 0.710 -15.889 1.00 1.00 N ATOM 164 CA ARG A 12 1.276 0.362 -17.350 1.00 1.00 C ATOM 165 C ARG A 12 -0.149 0.020 -17.810 1.00 1.00 C ATOM 166 O ARG A 12 -0.609 0.562 -18.818 1.00 1.00 O ATOM 167 CB ARG A 12 2.197 -0.772 -17.684 1.00 1.00 C ATOM 168 CG ARG A 12 3.601 -0.342 -17.956 1.00 1.00 C ATOM 169 CD ARG A 12 4.459 -1.516 -18.203 1.00 1.00 C ATOM 170 NE ARG A 12 5.827 -1.125 -18.543 1.00 1.00 N ATOM 171 CZ ARG A 12 6.724 -1.941 -19.124 1.00 1.00 C ATOM 172 NH1 ARG A 12 6.338 -3.084 -19.673 1.00 1.00 N ATOM 173 NH2 ARG A 12 7.976 -1.580 -19.174 1.00 1.00 N ATOM 0 H ARG A 12 1.942 0.091 -15.338 1.00 1.00 H new ATOM 0 HA ARG A 12 1.594 1.256 -17.887 1.00 1.00 H new ATOM 0 HB2 ARG A 12 2.197 -1.484 -16.859 1.00 1.00 H new ATOM 0 HB3 ARG A 12 1.811 -1.297 -18.558 1.00 1.00 H new ATOM 0 HG2 ARG A 12 3.624 0.322 -18.820 1.00 1.00 H new ATOM 0 HG3 ARG A 12 3.985 0.225 -17.108 1.00 1.00 H new ATOM 0 HD2 ARG A 12 4.472 -2.150 -17.317 1.00 1.00 H new ATOM 0 HD3 ARG A 12 4.038 -2.110 -19.014 1.00 1.00 H new ATOM 0 HE ARG A 12 6.119 -0.172 -18.325 1.00 1.00 H new ATOM 0 HH11 ARG A 12 5.354 -3.351 -19.657 1.00 1.00 H new ATOM 0 HH12 ARG A 12 7.025 -3.697 -20.112 1.00 1.00 H new ATOM 0 HH21 ARG A 12 8.266 -0.687 -18.775 1.00 1.00 H new ATOM 0 HH22 ARG A 12 8.666 -2.191 -19.612 1.00 1.00 H new ATOM 187 N ARG A 13 -0.885 -0.713 -16.885 1.00 1.00 N ATOM 188 CA ARG A 13 -2.304 -1.039 -17.058 1.00 1.00 C ATOM 189 C ARG A 13 -3.231 0.186 -16.923 1.00 1.00 C ATOM 190 O ARG A 13 -4.161 0.322 -17.724 1.00 1.00 O ATOM 191 CB ARG A 13 -2.708 -2.118 -16.126 1.00 1.00 C ATOM 192 CG ARG A 13 -2.691 -3.468 -16.789 1.00 1.00 C ATOM 193 CD ARG A 13 -2.753 -4.560 -15.796 1.00 1.00 C ATOM 194 NE ARG A 13 -4.131 -4.863 -15.386 1.00 1.00 N ATOM 195 CZ ARG A 13 -4.445 -5.568 -14.297 1.00 1.00 C ATOM 196 NH1 ARG A 13 -3.498 -6.069 -13.516 1.00 1.00 N ATOM 197 NH2 ARG A 13 -5.692 -5.750 -14.010 1.00 1.00 N ATOM 0 H ARG A 13 -0.486 -1.076 -16.019 1.00 1.00 H new ATOM 0 HA ARG A 13 -2.419 -1.393 -18.082 1.00 1.00 H new ATOM 0 HB2 ARG A 13 -2.036 -2.127 -15.268 1.00 1.00 H new ATOM 0 HB3 ARG A 13 -3.709 -1.913 -15.745 1.00 1.00 H new ATOM 0 HG2 ARG A 13 -3.535 -3.549 -17.473 1.00 1.00 H new ATOM 0 HG3 ARG A 13 -1.785 -3.569 -17.387 1.00 1.00 H new ATOM 0 HD2 ARG A 13 -2.296 -5.456 -16.216 1.00 1.00 H new ATOM 0 HD3 ARG A 13 -2.168 -4.284 -14.919 1.00 1.00 H new ATOM 0 HE ARG A 13 -4.893 -4.514 -15.968 1.00 1.00 H new ATOM 0 HH11 ARG A 13 -2.516 -5.918 -13.744 1.00 1.00 H new ATOM 0 HH12 ARG A 13 -3.752 -6.606 -12.687 1.00 1.00 H new ATOM 0 HH21 ARG A 13 -6.416 -5.358 -14.612 1.00 1.00 H new ATOM 0 HH22 ARG A 13 -5.952 -6.286 -13.182 1.00 1.00 H new ATOM 211 N GLU A 14 -2.819 1.103 -15.973 1.00 1.00 N ATOM 212 CA GLU A 14 -3.518 2.384 -15.732 1.00 1.00 C ATOM 213 C GLU A 14 -3.435 3.330 -16.938 1.00 1.00 C ATOM 214 O GLU A 14 -4.419 3.990 -17.253 1.00 1.00 O ATOM 215 CB GLU A 14 -3.016 3.070 -14.501 1.00 1.00 C ATOM 216 CG GLU A 14 -3.773 2.705 -13.246 1.00 1.00 C ATOM 217 CD GLU A 14 -3.230 3.418 -12.030 1.00 1.00 C ATOM 218 OE1 GLU A 14 -2.281 2.894 -11.406 1.00 1.00 O ATOM 219 OE2 GLU A 14 -3.742 4.509 -11.708 1.00 1.00 O ATOM 0 H GLU A 14 -2.006 0.960 -15.374 1.00 1.00 H new ATOM 0 HA GLU A 14 -4.567 2.130 -15.579 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -1.963 2.824 -14.363 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -3.074 4.148 -14.648 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -4.826 2.955 -13.372 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -3.717 1.628 -13.090 1.00 1.00 H new ATOM 226 N LYS A 15 -2.251 3.281 -17.665 1.00 1.00 N ATOM 227 CA LYS A 15 -1.990 4.073 -18.884 1.00 1.00 C ATOM 228 C LYS A 15 -2.899 3.689 -20.056 1.00 1.00 C ATOM 229 O LYS A 15 -3.337 4.569 -20.809 1.00 1.00 O ATOM 230 CB LYS A 15 -0.555 3.971 -19.296 1.00 1.00 C ATOM 231 CG LYS A 15 0.286 5.104 -18.781 1.00 1.00 C ATOM 232 CD LYS A 15 1.740 4.880 -19.121 1.00 1.00 C ATOM 233 CE LYS A 15 2.610 6.012 -18.607 1.00 1.00 C ATOM 234 NZ LYS A 15 4.053 5.761 -18.869 1.00 1.00 N ATOM 0 H LYS A 15 -1.468 2.683 -17.400 1.00 1.00 H new ATOM 0 HA LYS A 15 -2.218 5.107 -18.624 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -0.145 3.028 -18.934 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -0.496 3.948 -20.384 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -0.054 6.044 -19.215 1.00 1.00 H new ATOM 0 HG3 LYS A 15 0.168 5.191 -17.701 1.00 1.00 H new ATOM 0 HD2 LYS A 15 2.075 3.937 -18.689 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.853 4.794 -20.202 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.311 6.946 -19.083 1.00 1.00 H new ATOM 0 HE3 LYS A 15 2.451 6.135 -17.536 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.616 6.556 -18.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 4.345 4.883 -18.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.209 5.668 -19.893 1.00 1.00 H new ATOM 248 N ILE A 16 -3.247 2.355 -20.124 1.00 1.00 N ATOM 249 CA ILE A 16 -4.170 1.802 -21.138 1.00 1.00 C ATOM 250 C ILE A 16 -5.608 2.331 -20.918 1.00 1.00 C ATOM 251 O ILE A 16 -6.226 2.773 -21.871 1.00 1.00 O ATOM 252 CB ILE A 16 -4.126 0.246 -21.199 1.00 1.00 C ATOM 253 CG1 ILE A 16 -2.733 -0.225 -21.647 1.00 1.00 C ATOM 254 CG2 ILE A 16 -5.217 -0.290 -22.156 1.00 1.00 C ATOM 255 CD1 ILE A 16 -2.185 -1.350 -20.800 1.00 1.00 C ATOM 0 H ILE A 16 -2.889 1.654 -19.475 1.00 1.00 H new ATOM 0 HA ILE A 16 -3.829 2.152 -22.112 1.00 1.00 H new ATOM 0 HB ILE A 16 -4.324 -0.150 -20.203 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -2.784 -0.552 -22.686 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -2.043 0.618 -21.611 1.00 1.00 H new ATOM 0 HG21 ILE A 16 -5.172 -1.379 -22.186 1.00 1.00 H new ATOM 0 HG22 ILE A 16 -6.199 0.022 -21.800 1.00 1.00 H new ATOM 0 HG23 ILE A 16 -5.050 0.108 -23.157 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -1.200 -1.636 -21.168 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -2.104 -1.019 -19.765 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -2.856 -2.207 -20.855 1.00 1.00 H new ATOM 267 N ILE A 17 -6.072 2.277 -19.647 1.00 1.00 N ATOM 268 CA ILE A 17 -7.395 2.783 -19.271 1.00 1.00 C ATOM 269 C ILE A 17 -7.519 4.382 -19.335 1.00 1.00 C ATOM 270 O ILE A 17 -8.577 4.925 -18.955 1.00 1.00 O ATOM 271 CB ILE A 17 -7.833 2.143 -17.876 1.00 1.00 C ATOM 272 CG1 ILE A 17 -9.369 2.011 -17.849 1.00 1.00 C ATOM 273 CG2 ILE A 17 -7.323 2.979 -16.683 1.00 1.00 C ATOM 274 CD1 ILE A 17 -9.849 0.602 -17.779 1.00 1.00 C ATOM 0 H ILE A 17 -5.541 1.885 -18.869 1.00 1.00 H new ATOM 0 HA ILE A 17 -8.113 2.457 -20.024 1.00 1.00 H new ATOM 0 HB ILE A 17 -7.382 1.155 -17.780 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -9.757 2.560 -16.991 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -9.781 2.482 -18.742 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -7.640 2.513 -15.750 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -6.235 3.028 -16.712 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -7.734 3.987 -16.743 1.00 1.00 H new ATOM 0 HD11 ILE A 17 -10.939 0.589 -17.763 1.00 1.00 H new ATOM 0 HD12 ILE A 17 -9.492 0.052 -18.650 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -9.468 0.132 -16.872 1.00 1.00 H new ATOM 286 N GLU A 18 -6.324 5.005 -19.484 1.00 1.00 N ATOM 287 CA GLU A 18 -6.216 6.455 -19.430 1.00 1.00 C ATOM 288 C GLU A 18 -6.207 7.134 -20.809 1.00 1.00 C ATOM 289 O GLU A 18 -6.827 8.207 -20.937 1.00 1.00 O ATOM 290 CB GLU A 18 -4.994 6.827 -18.644 1.00 1.00 C ATOM 291 CG GLU A 18 -5.271 7.076 -17.178 1.00 1.00 C ATOM 292 CD GLU A 18 -4.041 7.549 -16.446 1.00 1.00 C ATOM 293 OE1 GLU A 18 -3.281 6.693 -15.934 1.00 1.00 O ATOM 294 OE2 GLU A 18 -3.831 8.777 -16.380 1.00 1.00 O ATOM 0 H GLU A 18 -5.441 4.519 -19.640 1.00 1.00 H new ATOM 0 HA GLU A 18 -7.115 6.824 -18.936 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -4.256 6.030 -18.736 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -4.551 7.723 -19.079 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -6.061 7.820 -17.079 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -5.638 6.159 -16.717 1.00 1.00 H new ATOM 301 N LEU A 19 -5.461 6.528 -21.778 1.00 1.00 N ATOM 302 CA LEU A 19 -5.338 7.064 -23.129 1.00 1.00 C ATOM 303 C LEU A 19 -6.416 6.577 -24.095 1.00 1.00 C ATOM 304 O LEU A 19 -6.778 7.316 -25.043 1.00 1.00 O ATOM 305 CB LEU A 19 -3.971 6.755 -23.684 1.00 1.00 C ATOM 306 CG LEU A 19 -3.209 7.960 -24.244 1.00 1.00 C ATOM 307 CD1 LEU A 19 -1.889 8.136 -23.515 1.00 1.00 C ATOM 308 CD2 LEU A 19 -2.963 7.792 -25.735 1.00 1.00 C ATOM 0 H LEU A 19 -4.940 5.664 -21.627 1.00 1.00 H new ATOM 0 HA LEU A 19 -5.479 8.141 -23.039 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -3.371 6.299 -22.896 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -4.076 6.012 -24.475 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.818 8.851 -24.090 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -1.359 8.996 -23.924 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -2.078 8.298 -22.454 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -1.281 7.241 -23.643 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -2.421 8.658 -26.114 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -2.374 6.891 -25.907 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -3.918 7.706 -26.254 1.00 1.00 H new ATOM 320 N LEU A 20 -7.003 5.365 -23.780 1.00 1.00 N ATOM 321 CA LEU A 20 -8.015 4.694 -24.610 1.00 1.00 C ATOM 322 C LEU A 20 -9.430 5.245 -24.458 1.00 1.00 C ATOM 323 O LEU A 20 -10.300 4.986 -25.336 1.00 1.00 O ATOM 324 CB LEU A 20 -8.020 3.231 -24.309 1.00 1.00 C ATOM 325 CG LEU A 20 -7.727 2.307 -25.482 1.00 1.00 C ATOM 326 CD1 LEU A 20 -6.378 1.633 -25.295 1.00 1.00 C ATOM 327 CD2 LEU A 20 -8.813 1.257 -25.620 1.00 1.00 C ATOM 0 H LEU A 20 -6.769 4.845 -22.934 1.00 1.00 H new ATOM 0 HA LEU A 20 -7.726 4.888 -25.643 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.284 3.039 -23.528 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -8.995 2.968 -23.900 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.704 2.906 -26.392 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -6.180 0.975 -26.141 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -5.597 2.391 -25.235 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -6.388 1.049 -24.375 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -8.585 0.606 -26.464 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.863 0.663 -24.707 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -9.773 1.746 -25.788 1.00 1.00 H new ATOM 339 N LEU A 21 -9.649 6.164 -23.405 1.00 1.00 N ATOM 340 CA LEU A 21 -10.931 6.799 -23.120 1.00 1.00 C ATOM 341 C LEU A 21 -11.143 8.094 -23.928 1.00 1.00 C ATOM 342 O LEU A 21 -12.266 8.636 -23.972 1.00 1.00 O ATOM 343 CB LEU A 21 -11.043 7.046 -21.633 1.00 1.00 C ATOM 344 CG LEU A 21 -12.212 6.347 -20.947 1.00 1.00 C ATOM 345 CD1 LEU A 21 -11.709 5.468 -19.815 1.00 1.00 C ATOM 346 CD2 LEU A 21 -13.212 7.374 -20.427 1.00 1.00 C ATOM 0 H LEU A 21 -8.910 6.449 -22.763 1.00 1.00 H new ATOM 0 HA LEU A 21 -11.725 6.122 -23.434 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -10.117 6.724 -21.156 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -11.132 8.119 -21.464 1.00 1.00 H new ATOM 0 HG LEU A 21 -12.718 5.714 -21.676 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -12.554 4.975 -19.334 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -11.029 4.715 -20.214 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -11.183 6.082 -19.084 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -14.041 6.860 -19.940 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -12.720 8.030 -19.709 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -13.591 7.966 -21.260 1.00 1.00 H new ATOM 358 N GLU A 22 -10.025 8.562 -24.578 1.00 1.00 N ATOM 359 CA GLU A 22 -10.023 9.761 -25.412 1.00 1.00 C ATOM 360 C GLU A 22 -10.032 9.454 -26.924 1.00 1.00 C ATOM 361 O GLU A 22 -10.520 10.308 -27.702 1.00 1.00 O ATOM 362 CB GLU A 22 -8.849 10.644 -25.041 1.00 1.00 C ATOM 363 CG GLU A 22 -9.185 11.690 -23.992 1.00 1.00 C ATOM 364 CD GLU A 22 -7.968 12.447 -23.527 1.00 1.00 C ATOM 365 OE1 GLU A 22 -7.317 11.994 -22.559 1.00 1.00 O ATOM 366 OE2 GLU A 22 -7.652 13.492 -24.133 1.00 1.00 O ATOM 0 H GLU A 22 -9.116 8.102 -24.522 1.00 1.00 H new ATOM 0 HA GLU A 22 -10.954 10.291 -25.213 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -8.037 10.018 -24.671 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -8.483 11.145 -25.938 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -9.912 12.392 -24.402 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -9.657 11.205 -23.137 1.00 1.00 H new ATOM 373 N GLY A 23 -9.523 8.257 -27.303 1.00 1.00 N ATOM 374 CA GLY A 23 -9.481 7.849 -28.680 1.00 1.00 C ATOM 375 C GLY A 23 -9.275 6.389 -28.819 1.00 1.00 C ATOM 376 O GLY A 23 -9.368 5.618 -27.828 1.00 1.00 O ATOM 0 H GLY A 23 -9.140 7.572 -26.651 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -10.412 8.132 -29.171 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -8.677 8.379 -29.191 1.00 1.00 H new ATOM 380 N ASP A 24 -9.021 5.967 -30.060 1.00 1.00 N ATOM 381 CA ASP A 24 -8.800 4.552 -30.396 1.00 1.00 C ATOM 382 C ASP A 24 -7.412 4.365 -30.954 1.00 1.00 C ATOM 383 O ASP A 24 -6.988 5.129 -31.873 1.00 1.00 O ATOM 384 CB ASP A 24 -9.890 3.985 -31.369 1.00 1.00 C ATOM 385 CG ASP A 24 -10.306 4.901 -32.536 1.00 1.00 C ATOM 386 OD1 ASP A 24 -11.030 5.884 -32.260 1.00 1.00 O ATOM 387 OD2 ASP A 24 -9.774 4.706 -33.629 1.00 1.00 O ATOM 0 H ASP A 24 -8.962 6.594 -30.863 1.00 1.00 H new ATOM 0 HA ASP A 24 -8.891 3.977 -29.475 1.00 1.00 H new ATOM 0 HB2 ASP A 24 -9.523 3.047 -31.785 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -10.780 3.749 -30.786 1.00 1.00 H new ATOM 392 N TYR A 25 -6.710 3.361 -30.423 1.00 1.00 N ATOM 393 CA TYR A 25 -5.355 3.053 -30.859 1.00 1.00 C ATOM 394 C TYR A 25 -5.183 1.602 -30.959 1.00 1.00 C ATOM 395 O TYR A 25 -5.745 0.833 -30.131 1.00 1.00 O ATOM 396 CB TYR A 25 -4.269 3.678 -29.913 1.00 1.00 C ATOM 397 CG TYR A 25 -3.990 5.157 -30.187 1.00 1.00 C ATOM 398 CD1 TYR A 25 -3.013 5.539 -31.101 1.00 1.00 C ATOM 399 CD2 TYR A 25 -4.707 6.154 -29.524 1.00 1.00 C ATOM 400 CE1 TYR A 25 -2.762 6.856 -31.351 1.00 1.00 C ATOM 401 CE2 TYR A 25 -4.457 7.475 -29.769 1.00 1.00 C ATOM 402 CZ TYR A 25 -3.482 7.823 -30.682 1.00 1.00 C ATOM 403 OH TYR A 25 -3.223 9.148 -30.928 1.00 1.00 O ATOM 0 H TYR A 25 -7.063 2.748 -29.688 1.00 1.00 H new ATOM 0 HA TYR A 25 -5.212 3.502 -31.842 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -4.593 3.564 -28.878 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -3.341 3.117 -30.020 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -2.445 4.781 -31.620 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -5.468 5.878 -28.809 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -2.005 7.139 -32.067 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -5.018 8.240 -29.253 1.00 1.00 H new ATOM 0 HH TYR A 25 -3.814 9.704 -30.379 1.00 1.00 H new ATOM 413 N SER A 26 -4.382 1.183 -31.961 1.00 1.00 N ATOM 414 CA SER A 26 -4.069 -0.195 -32.205 1.00 1.00 C ATOM 415 C SER A 26 -2.960 -0.677 -31.226 1.00 1.00 C ATOM 416 O SER A 26 -2.316 0.195 -30.612 1.00 1.00 O ATOM 417 CB SER A 26 -3.644 -0.439 -33.651 1.00 1.00 C ATOM 418 OG SER A 26 -4.450 -1.463 -34.220 1.00 1.00 O ATOM 0 H SER A 26 -3.939 1.823 -32.621 1.00 1.00 H new ATOM 0 HA SER A 26 -4.977 -0.772 -32.031 1.00 1.00 H new ATOM 0 HB2 SER A 26 -3.744 0.479 -34.230 1.00 1.00 H new ATOM 0 HB3 SER A 26 -2.593 -0.727 -33.688 1.00 1.00 H new ATOM 0 HG SER A 26 -4.177 -1.617 -35.148 1.00 1.00 H new ATOM 424 N PRO A 27 -2.774 -2.063 -30.952 1.00 1.00 N ATOM 425 CA PRO A 27 -1.698 -2.587 -30.064 1.00 1.00 C ATOM 426 C PRO A 27 -0.262 -2.057 -30.359 1.00 1.00 C ATOM 427 O PRO A 27 0.441 -1.634 -29.416 1.00 1.00 O ATOM 428 CB PRO A 27 -1.814 -4.077 -30.315 1.00 1.00 C ATOM 429 CG PRO A 27 -2.641 -4.259 -31.562 1.00 1.00 C ATOM 430 CD PRO A 27 -3.615 -3.204 -31.463 1.00 1.00 C ATOM 0 HA PRO A 27 -1.831 -2.270 -29.030 1.00 1.00 H new ATOM 0 HB2 PRO A 27 -0.828 -4.524 -30.440 1.00 1.00 H new ATOM 0 HB3 PRO A 27 -2.284 -4.574 -29.466 1.00 1.00 H new ATOM 0 HG2 PRO A 27 -2.036 -4.166 -32.464 1.00 1.00 H new ATOM 0 HG3 PRO A 27 -3.112 -5.241 -31.594 1.00 1.00 H new ATOM 0 HD2 PRO A 27 -4.072 -2.977 -32.426 1.00 1.00 H new ATOM 0 HD3 PRO A 27 -4.424 -3.456 -30.777 1.00 1.00 H new ATOM 438 N SER A 28 0.115 -2.063 -31.713 1.00 1.00 N ATOM 439 CA SER A 28 1.390 -1.484 -32.202 1.00 1.00 C ATOM 440 C SER A 28 1.516 0.038 -31.916 1.00 1.00 C ATOM 441 O SER A 28 2.603 0.523 -31.635 1.00 1.00 O ATOM 442 CB SER A 28 1.577 -1.762 -33.663 1.00 1.00 C ATOM 443 OG SER A 28 1.853 -3.123 -33.892 1.00 1.00 O ATOM 0 H SER A 28 -0.462 -2.466 -32.451 1.00 1.00 H new ATOM 0 HA SER A 28 2.185 -1.975 -31.641 1.00 1.00 H new ATOM 0 HB2 SER A 28 0.678 -1.474 -34.208 1.00 1.00 H new ATOM 0 HB3 SER A 28 2.394 -1.153 -34.050 1.00 1.00 H new ATOM 0 HG SER A 28 1.969 -3.276 -34.853 1.00 1.00 H new ATOM 449 N GLU A 29 0.292 0.729 -31.943 1.00 1.00 N ATOM 450 CA GLU A 29 0.140 2.159 -31.608 1.00 1.00 C ATOM 451 C GLU A 29 0.260 2.436 -30.073 1.00 1.00 C ATOM 452 O GLU A 29 0.960 3.373 -29.685 1.00 1.00 O ATOM 453 CB GLU A 29 -1.134 2.683 -32.139 1.00 1.00 C ATOM 454 CG GLU A 29 -0.967 3.423 -33.429 1.00 1.00 C ATOM 455 CD GLU A 29 -2.191 3.317 -34.304 1.00 1.00 C ATOM 456 OE1 GLU A 29 -2.267 2.367 -35.116 1.00 1.00 O ATOM 457 OE2 GLU A 29 -3.080 4.189 -34.186 1.00 1.00 O ATOM 0 H GLU A 29 -0.587 0.281 -32.200 1.00 1.00 H new ATOM 0 HA GLU A 29 0.966 2.687 -32.085 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -1.827 1.855 -32.288 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -1.584 3.347 -31.401 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -0.760 4.473 -33.221 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -0.103 3.028 -33.964 1.00 1.00 H new ATOM 464 N LEU A 30 -0.294 1.434 -29.257 1.00 1.00 N ATOM 465 CA LEU A 30 -0.156 1.422 -27.784 1.00 1.00 C ATOM 466 C LEU A 30 1.290 1.089 -27.346 1.00 1.00 C ATOM 467 O LEU A 30 1.660 1.214 -26.185 1.00 1.00 O ATOM 468 CB LEU A 30 -1.146 0.475 -27.160 1.00 1.00 C ATOM 469 CG LEU A 30 -2.522 1.040 -26.840 1.00 1.00 C ATOM 470 CD1 LEU A 30 -3.588 0.230 -27.542 1.00 1.00 C ATOM 471 CD2 LEU A 30 -2.764 1.034 -25.334 1.00 1.00 C ATOM 0 H LEU A 30 -0.829 0.647 -29.625 1.00 1.00 H new ATOM 0 HA LEU A 30 -0.377 2.427 -27.426 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -1.274 -0.374 -27.831 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -0.713 0.089 -26.237 1.00 1.00 H new ATOM 0 HG LEU A 30 -2.568 2.070 -27.193 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -4.570 0.641 -27.308 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -3.425 0.270 -28.619 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -3.538 -0.806 -27.206 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -3.753 1.441 -25.123 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -2.705 0.012 -24.960 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -2.007 1.645 -24.841 1.00 1.00 H new ATOM 483 N ALA A 31 2.144 0.808 -28.416 1.00 1.00 N ATOM 484 CA ALA A 31 3.557 0.558 -28.267 1.00 1.00 C ATOM 485 C ALA A 31 4.349 1.786 -28.638 1.00 1.00 C ATOM 486 O ALA A 31 5.413 2.031 -28.040 1.00 1.00 O ATOM 487 CB ALA A 31 4.007 -0.642 -29.053 1.00 1.00 C ATOM 0 H ALA A 31 1.823 0.760 -29.383 1.00 1.00 H new ATOM 0 HA ALA A 31 3.743 0.330 -27.218 1.00 1.00 H new ATOM 0 HB1 ALA A 31 5.077 -0.790 -28.910 1.00 1.00 H new ATOM 0 HB2 ALA A 31 3.469 -1.525 -28.709 1.00 1.00 H new ATOM 0 HB3 ALA A 31 3.801 -0.482 -30.111 1.00 1.00 H new ATOM 493 N ARG A 32 3.782 2.620 -29.606 1.00 1.00 N ATOM 494 CA ARG A 32 4.380 3.904 -30.061 1.00 1.00 C ATOM 495 C ARG A 32 4.416 4.943 -28.929 1.00 1.00 C ATOM 496 O ARG A 32 5.463 5.544 -28.669 1.00 1.00 O ATOM 497 CB ARG A 32 3.656 4.437 -31.273 1.00 1.00 C ATOM 498 CG ARG A 32 4.260 3.995 -32.576 1.00 1.00 C ATOM 499 CD ARG A 32 3.999 5.020 -33.623 1.00 1.00 C ATOM 500 NE ARG A 32 5.205 5.369 -34.413 1.00 1.00 N ATOM 501 CZ ARG A 32 5.295 6.436 -35.260 1.00 1.00 C ATOM 502 NH1 ARG A 32 4.347 7.360 -35.307 1.00 1.00 N ATOM 503 NH2 ARG A 32 6.348 6.565 -36.030 1.00 1.00 N ATOM 0 H ARG A 32 2.903 2.399 -30.074 1.00 1.00 H new ATOM 0 HA ARG A 32 5.412 3.704 -30.349 1.00 1.00 H new ATOM 0 HB2 ARG A 32 2.616 4.114 -31.236 1.00 1.00 H new ATOM 0 HB3 ARG A 32 3.653 5.526 -31.234 1.00 1.00 H new ATOM 0 HG2 ARG A 32 5.333 3.846 -32.458 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.837 3.037 -32.878 1.00 1.00 H new ATOM 0 HD2 ARG A 32 3.225 4.653 -34.297 1.00 1.00 H new ATOM 0 HD3 ARG A 32 3.609 5.921 -33.150 1.00 1.00 H new ATOM 0 HE ARG A 32 6.025 4.770 -34.317 1.00 1.00 H new ATOM 0 HH11 ARG A 32 3.529 7.283 -34.703 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.435 8.149 -35.948 1.00 1.00 H new ATOM 0 HH21 ARG A 32 7.094 5.870 -35.994 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.421 7.360 -36.665 1.00 1.00 H new ATOM 517 N ILE A 33 3.261 5.086 -28.196 1.00 1.00 N ATOM 518 CA ILE A 33 3.124 5.942 -27.016 1.00 1.00 C ATOM 519 C ILE A 33 3.660 5.152 -25.778 1.00 1.00 C ATOM 520 O ILE A 33 2.810 4.670 -24.935 1.00 1.00 O ATOM 521 CB ILE A 33 1.597 6.454 -26.850 1.00 1.00 C ATOM 522 CG1 ILE A 33 1.515 7.449 -25.652 1.00 1.00 C ATOM 523 CG2 ILE A 33 0.616 5.244 -26.656 1.00 1.00 C ATOM 524 CD1 ILE A 33 1.008 8.791 -26.008 1.00 1.00 C ATOM 0 H ILE A 33 2.400 4.592 -28.432 1.00 1.00 H new ATOM 0 HA ILE A 33 3.718 6.850 -27.120 1.00 1.00 H new ATOM 0 HB ILE A 33 1.291 6.971 -27.759 1.00 1.00 H new ATOM 0 HG12 ILE A 33 0.870 7.022 -24.884 1.00 1.00 H new ATOM 0 HG13 ILE A 33 2.507 7.553 -25.213 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -0.403 5.616 -26.547 1.00 1.00 H new ATOM 0 HG22 ILE A 33 0.672 4.587 -27.524 1.00 1.00 H new ATOM 0 HG23 ILE A 33 0.897 4.688 -25.762 1.00 1.00 H new ATOM 0 HD11 ILE A 33 0.983 9.419 -25.117 1.00 1.00 H new ATOM 0 HD12 ILE A 33 1.664 9.242 -26.752 1.00 1.00 H new ATOM 0 HD13 ILE A 33 0.002 8.703 -26.418 1.00 1.00 H new ATOM 536 N LEU A 34 4.942 5.104 -25.584 1.00 1.00 N ATOM 537 CA LEU A 34 5.567 4.310 -24.483 1.00 1.00 C ATOM 538 C LEU A 34 7.039 4.104 -24.777 1.00 1.00 C ATOM 539 O LEU A 34 7.610 4.732 -25.706 1.00 1.00 O ATOM 540 CB LEU A 34 4.832 2.889 -24.382 1.00 1.00 C ATOM 541 CG LEU A 34 4.426 2.488 -22.989 1.00 1.00 C ATOM 542 CD1 LEU A 34 2.929 2.234 -22.903 1.00 1.00 C ATOM 543 CD2 LEU A 34 5.209 1.279 -22.583 1.00 1.00 C ATOM 0 H LEU A 34 5.615 5.602 -26.166 1.00 1.00 H new ATOM 0 HA LEU A 34 5.464 4.844 -23.539 1.00 1.00 H new ATOM 0 HB2 LEU A 34 3.943 2.909 -25.013 1.00 1.00 H new ATOM 0 HB3 LEU A 34 5.494 2.123 -24.787 1.00 1.00 H new ATOM 0 HG LEU A 34 4.646 3.304 -22.301 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.667 1.946 -21.885 1.00 1.00 H new ATOM 0 HD12 LEU A 34 2.390 3.142 -23.174 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.656 1.432 -23.588 1.00 1.00 H new ATOM 0 HD21 LEU A 34 4.922 0.981 -21.575 1.00 1.00 H new ATOM 0 HD22 LEU A 34 5.003 0.463 -23.275 1.00 1.00 H new ATOM 0 HD23 LEU A 34 6.274 1.512 -22.603 1.00 1.00 H new ATOM 644 N SER A 41 4.419 -7.300 -28.452 1.00 1.00 N ATOM 645 CA SER A 41 3.513 -6.343 -27.771 1.00 1.00 C ATOM 646 C SER A 41 2.053 -6.643 -28.026 1.00 1.00 C ATOM 647 O SER A 41 1.179 -6.257 -27.208 1.00 1.00 O ATOM 648 CB SER A 41 3.805 -4.902 -28.211 1.00 1.00 C ATOM 649 OG SER A 41 4.064 -4.079 -27.089 1.00 1.00 O ATOM 0 HA SER A 41 3.705 -6.454 -26.704 1.00 1.00 H new ATOM 0 HB2 SER A 41 4.663 -4.889 -28.884 1.00 1.00 H new ATOM 0 HB3 SER A 41 2.956 -4.508 -28.769 1.00 1.00 H new ATOM 0 HG SER A 41 4.250 -3.165 -27.390 1.00 1.00 H new ATOM 655 N LYS A 42 1.784 -7.426 -29.126 1.00 1.00 N ATOM 656 CA LYS A 42 0.419 -7.800 -29.568 1.00 1.00 C ATOM 657 C LYS A 42 -0.301 -8.793 -28.634 1.00 1.00 C ATOM 658 O LYS A 42 -1.398 -8.468 -28.168 1.00 1.00 O ATOM 659 CB LYS A 42 0.451 -8.341 -30.987 1.00 1.00 C ATOM 660 CG LYS A 42 0.247 -7.292 -32.051 1.00 1.00 C ATOM 661 CD LYS A 42 0.396 -7.886 -33.437 1.00 1.00 C ATOM 662 CE LYS A 42 0.192 -6.834 -34.509 1.00 1.00 C ATOM 663 NZ LYS A 42 0.369 -7.393 -35.876 1.00 1.00 N ATOM 0 H LYS A 42 2.518 -7.809 -29.722 1.00 1.00 H new ATOM 0 HA LYS A 42 -0.165 -6.880 -29.531 1.00 1.00 H new ATOM 0 HB2 LYS A 42 1.409 -8.832 -31.155 1.00 1.00 H new ATOM 0 HB3 LYS A 42 -0.321 -9.104 -31.091 1.00 1.00 H new ATOM 0 HG2 LYS A 42 -0.744 -6.850 -31.946 1.00 1.00 H new ATOM 0 HG3 LYS A 42 0.970 -6.488 -31.917 1.00 1.00 H new ATOM 0 HD2 LYS A 42 1.387 -8.328 -33.541 1.00 1.00 H new ATOM 0 HD3 LYS A 42 -0.328 -8.690 -33.571 1.00 1.00 H new ATOM 0 HE2 LYS A 42 -0.808 -6.411 -34.417 1.00 1.00 H new ATOM 0 HE3 LYS A 42 0.899 -6.018 -34.356 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 0.993 -6.770 -36.427 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 0.794 -8.340 -35.811 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 -0.556 -7.460 -36.346 1.00 1.00 H new ATOM 677 N LYS A 43 0.421 -9.908 -28.266 1.00 1.00 N ATOM 678 CA LYS A 43 -0.095 -10.959 -27.371 1.00 1.00 C ATOM 679 C LYS A 43 -0.133 -10.543 -25.905 1.00 1.00 C ATOM 680 O LYS A 43 -1.056 -10.899 -25.177 1.00 1.00 O ATOM 681 CB LYS A 43 0.712 -12.220 -27.549 1.00 1.00 C ATOM 682 CG LYS A 43 0.083 -13.216 -28.491 1.00 1.00 C ATOM 683 CD LYS A 43 1.006 -14.395 -28.716 1.00 1.00 C ATOM 684 CE LYS A 43 0.372 -15.424 -29.633 1.00 1.00 C ATOM 685 NZ LYS A 43 1.107 -16.716 -29.609 1.00 1.00 N ATOM 0 H LYS A 43 1.372 -10.084 -28.591 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.132 -11.139 -27.656 1.00 1.00 H new ATOM 0 HB2 LYS A 43 1.702 -11.957 -27.921 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.852 -12.692 -26.576 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -0.865 -13.563 -28.081 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.139 -12.734 -29.443 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.944 -14.048 -29.149 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.248 -14.858 -27.759 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.663 -15.589 -29.333 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.350 -15.038 -30.652 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.642 -17.392 -30.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.088 -16.563 -29.920 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.106 -17.098 -28.642 1.00 1.00 H new ATOM 699 N VAL A 44 0.875 -9.694 -25.544 1.00 1.00 N ATOM 700 CA VAL A 44 1.041 -9.141 -24.170 1.00 1.00 C ATOM 701 C VAL A 44 -0.099 -8.142 -23.829 1.00 1.00 C ATOM 702 O VAL A 44 -0.624 -8.196 -22.714 1.00 1.00 O ATOM 703 CB VAL A 44 2.439 -8.493 -23.947 1.00 1.00 C ATOM 704 CG1 VAL A 44 2.740 -8.394 -22.455 1.00 1.00 C ATOM 705 CG2 VAL A 44 3.536 -9.247 -24.676 1.00 1.00 C ATOM 0 H VAL A 44 1.591 -9.377 -26.197 1.00 1.00 H new ATOM 0 HA VAL A 44 0.976 -9.985 -23.484 1.00 1.00 H new ATOM 0 HB VAL A 44 2.413 -7.488 -24.367 1.00 1.00 H new ATOM 0 HG11 VAL A 44 3.720 -7.939 -22.311 1.00 1.00 H new ATOM 0 HG12 VAL A 44 1.981 -7.780 -21.971 1.00 1.00 H new ATOM 0 HG13 VAL A 44 2.735 -9.392 -22.016 1.00 1.00 H new ATOM 0 HG21 VAL A 44 4.495 -8.761 -24.493 1.00 1.00 H new ATOM 0 HG22 VAL A 44 3.575 -10.274 -24.313 1.00 1.00 H new ATOM 0 HG23 VAL A 44 3.328 -9.248 -25.746 1.00 1.00 H new ATOM 715 N ILE A 45 -0.403 -7.273 -24.822 1.00 1.00 N ATOM 716 CA ILE A 45 -1.499 -6.312 -24.695 1.00 1.00 C ATOM 717 C ILE A 45 -2.921 -6.992 -24.812 1.00 1.00 C ATOM 718 O ILE A 45 -3.912 -6.330 -24.487 1.00 1.00 O ATOM 719 CB ILE A 45 -1.304 -5.100 -25.689 1.00 1.00 C ATOM 720 CG1 ILE A 45 -1.864 -3.814 -25.054 1.00 1.00 C ATOM 721 CG2 ILE A 45 -1.980 -5.397 -27.027 1.00 1.00 C ATOM 722 CD1 ILE A 45 -0.817 -2.791 -24.735 1.00 1.00 C ATOM 0 H ILE A 45 0.097 -7.226 -25.710 1.00 1.00 H new ATOM 0 HA ILE A 45 -1.464 -5.903 -23.685 1.00 1.00 H new ATOM 0 HB ILE A 45 -0.241 -4.955 -25.879 1.00 1.00 H new ATOM 0 HG12 ILE A 45 -2.594 -3.373 -25.733 1.00 1.00 H new ATOM 0 HG13 ILE A 45 -2.396 -4.074 -24.139 1.00 1.00 H new ATOM 0 HG21 ILE A 45 -1.837 -4.553 -27.702 1.00 1.00 H new ATOM 0 HG22 ILE A 45 -1.539 -6.292 -27.467 1.00 1.00 H new ATOM 0 HG23 ILE A 45 -3.046 -5.558 -26.868 1.00 1.00 H new ATOM 0 HD11 ILE A 45 -1.288 -1.914 -24.291 1.00 1.00 H new ATOM 0 HD12 ILE A 45 -0.099 -3.212 -24.032 1.00 1.00 H new ATOM 0 HD13 ILE A 45 -0.301 -2.501 -25.650 1.00 1.00 H new ATOM 734 N LEU A 46 -2.932 -8.162 -25.509 1.00 1.00 N ATOM 735 CA LEU A 46 -4.137 -8.932 -25.758 1.00 1.00 C ATOM 736 C LEU A 46 -4.670 -9.618 -24.475 1.00 1.00 C ATOM 737 O LEU A 46 -5.879 -9.613 -24.249 1.00 1.00 O ATOM 738 CB LEU A 46 -3.908 -9.928 -26.871 1.00 1.00 C ATOM 739 CG LEU A 46 -5.029 -10.033 -27.895 1.00 1.00 C ATOM 740 CD1 LEU A 46 -4.467 -9.964 -29.293 1.00 1.00 C ATOM 741 CD2 LEU A 46 -5.814 -11.323 -27.695 1.00 1.00 C ATOM 0 H LEU A 46 -2.091 -8.581 -25.906 1.00 1.00 H new ATOM 0 HA LEU A 46 -4.913 -8.237 -26.078 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -2.988 -9.661 -27.391 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -3.750 -10.912 -26.428 1.00 1.00 H new ATOM 0 HG LEU A 46 -5.710 -9.194 -27.754 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -5.279 -10.040 -30.016 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -3.947 -9.016 -29.430 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -3.768 -10.786 -29.445 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -6.612 -11.382 -28.435 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -5.147 -12.177 -27.812 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -6.246 -11.334 -26.694 1.00 1.00 H new ATOM 753 N GLU A 47 -3.675 -10.115 -23.658 1.00 1.00 N ATOM 754 CA GLU A 47 -3.958 -10.763 -22.360 1.00 1.00 C ATOM 755 C GLU A 47 -4.324 -9.735 -21.275 1.00 1.00 C ATOM 756 O GLU A 47 -5.085 -10.044 -20.351 1.00 1.00 O ATOM 757 CB GLU A 47 -2.845 -11.653 -21.944 1.00 1.00 C ATOM 758 CG GLU A 47 -3.061 -13.098 -22.346 1.00 1.00 C ATOM 759 CD GLU A 47 -2.022 -14.009 -21.731 1.00 1.00 C ATOM 760 OE1 GLU A 47 -0.934 -14.174 -22.330 1.00 1.00 O ATOM 761 OE2 GLU A 47 -2.296 -14.568 -20.647 1.00 1.00 O ATOM 0 H GLU A 47 -2.683 -10.071 -23.890 1.00 1.00 H new ATOM 0 HA GLU A 47 -4.836 -11.396 -22.494 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -1.915 -11.294 -22.385 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -2.727 -11.596 -20.862 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -4.056 -13.418 -22.035 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -3.023 -13.184 -23.432 1.00 1.00 H new ATOM 768 N ASP A 48 -3.779 -8.468 -21.471 1.00 1.00 N ATOM 769 CA ASP A 48 -4.103 -7.280 -20.627 1.00 1.00 C ATOM 770 C ASP A 48 -5.571 -6.844 -20.781 1.00 1.00 C ATOM 771 O ASP A 48 -6.223 -6.489 -19.801 1.00 1.00 O ATOM 772 CB ASP A 48 -3.175 -6.144 -20.898 1.00 1.00 C ATOM 773 CG ASP A 48 -1.954 -6.188 -20.019 1.00 1.00 C ATOM 774 OD1 ASP A 48 -2.059 -5.815 -18.837 1.00 1.00 O ATOM 775 OD2 ASP A 48 -0.885 -6.587 -20.514 1.00 1.00 O ATOM 0 H ASP A 48 -3.112 -8.264 -22.215 1.00 1.00 H new ATOM 0 HA ASP A 48 -3.963 -7.585 -19.590 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -2.869 -6.168 -21.944 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -3.700 -5.202 -20.741 1.00 1.00 H new ATOM 780 N LEU A 49 -6.112 -7.063 -22.044 1.00 1.00 N ATOM 781 CA LEU A 49 -7.531 -6.826 -22.386 1.00 1.00 C ATOM 782 C LEU A 49 -8.477 -7.794 -21.682 1.00 1.00 C ATOM 783 O LEU A 49 -9.560 -7.406 -21.295 1.00 1.00 O ATOM 784 CB LEU A 49 -7.750 -6.875 -23.885 1.00 1.00 C ATOM 785 CG LEU A 49 -7.360 -5.616 -24.657 1.00 1.00 C ATOM 786 CD1 LEU A 49 -6.743 -6.008 -25.977 1.00 1.00 C ATOM 787 CD2 LEU A 49 -8.566 -4.710 -24.866 1.00 1.00 C ATOM 0 H LEU A 49 -5.559 -7.406 -22.829 1.00 1.00 H new ATOM 0 HA LEU A 49 -7.767 -5.824 -22.027 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -7.184 -7.715 -24.288 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -8.804 -7.081 -24.072 1.00 1.00 H new ATOM 0 HG LEU A 49 -6.628 -5.055 -24.076 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -6.464 -5.110 -26.529 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -5.855 -6.614 -25.798 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -7.463 -6.583 -26.559 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -8.262 -3.821 -25.418 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -9.329 -5.245 -25.432 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -8.972 -4.415 -23.898 1.00 1.00 H new ATOM 799 N LYS A 50 -7.972 -9.060 -21.495 1.00 1.00 N ATOM 800 CA LYS A 50 -8.695 -10.167 -20.814 1.00 1.00 C ATOM 801 C LYS A 50 -8.980 -9.878 -19.330 1.00 1.00 C ATOM 802 O LYS A 50 -10.101 -10.064 -18.866 1.00 1.00 O ATOM 803 CB LYS A 50 -7.953 -11.478 -20.951 1.00 1.00 C ATOM 804 CG LYS A 50 -8.004 -12.080 -22.336 1.00 1.00 C ATOM 805 CD LYS A 50 -7.032 -13.227 -22.466 1.00 1.00 C ATOM 806 CE LYS A 50 -6.896 -13.669 -23.910 1.00 1.00 C ATOM 807 NZ LYS A 50 -5.772 -12.973 -24.606 1.00 1.00 N ATOM 0 H LYS A 50 -7.044 -9.331 -21.819 1.00 1.00 H new ATOM 0 HA LYS A 50 -9.657 -10.247 -21.320 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -6.910 -11.323 -20.673 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -8.369 -12.193 -20.241 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -9.015 -12.430 -22.547 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -7.770 -11.316 -23.077 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -6.057 -12.927 -22.081 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -7.371 -14.065 -21.857 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -6.733 -14.746 -23.945 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -7.828 -13.471 -24.439 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -5.857 -13.117 -25.632 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -5.810 -11.955 -24.395 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -4.866 -13.361 -24.276 1.00 1.00 H new ATOM 821 N VAL A 51 -7.979 -9.221 -18.680 1.00 1.00 N ATOM 822 CA VAL A 51 -8.028 -8.812 -17.263 1.00 1.00 C ATOM 823 C VAL A 51 -8.871 -7.543 -17.068 1.00 1.00 C ATOM 824 O VAL A 51 -9.732 -7.550 -16.181 1.00 1.00 O ATOM 825 CB VAL A 51 -6.606 -8.620 -16.638 1.00 1.00 C ATOM 826 CG1 VAL A 51 -6.664 -8.741 -15.117 1.00 1.00 C ATOM 827 CG2 VAL A 51 -5.585 -9.588 -17.216 1.00 1.00 C ATOM 0 H VAL A 51 -7.107 -8.961 -19.140 1.00 1.00 H new ATOM 0 HA VAL A 51 -8.509 -9.634 -16.732 1.00 1.00 H new ATOM 0 HB VAL A 51 -6.276 -7.614 -16.898 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -5.665 -8.604 -14.703 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -7.331 -7.977 -14.716 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -7.038 -9.728 -14.845 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -4.615 -9.415 -16.750 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -5.903 -10.612 -17.021 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -5.504 -9.432 -18.292 1.00 1.00 H new ATOM 837 N ILE A 52 -8.643 -6.544 -17.973 1.00 1.00 N ATOM 838 CA ILE A 52 -9.355 -5.258 -17.952 1.00 1.00 C ATOM 839 C ILE A 52 -10.872 -5.417 -18.228 1.00 1.00 C ATOM 840 O ILE A 52 -11.652 -4.668 -17.636 1.00 1.00 O ATOM 841 CB ILE A 52 -8.679 -4.199 -18.868 1.00 1.00 C ATOM 842 CG1 ILE A 52 -7.524 -3.521 -18.120 1.00 1.00 C ATOM 843 CG2 ILE A 52 -9.695 -3.155 -19.364 1.00 1.00 C ATOM 844 CD1 ILE A 52 -6.223 -3.512 -18.892 1.00 1.00 C ATOM 0 H ILE A 52 -7.961 -6.621 -18.728 1.00 1.00 H new ATOM 0 HA ILE A 52 -9.278 -4.873 -16.935 1.00 1.00 H new ATOM 0 HB ILE A 52 -8.281 -4.710 -19.745 1.00 1.00 H new ATOM 0 HG12 ILE A 52 -7.806 -2.494 -17.888 1.00 1.00 H new ATOM 0 HG13 ILE A 52 -7.369 -4.031 -17.169 1.00 1.00 H new ATOM 0 HG21 ILE A 52 -9.190 -2.430 -20.002 1.00 1.00 H new ATOM 0 HG22 ILE A 52 -10.480 -3.653 -19.933 1.00 1.00 H new ATOM 0 HG23 ILE A 52 -10.136 -2.642 -18.509 1.00 1.00 H new ATOM 0 HD11 ILE A 52 -5.453 -3.017 -18.301 1.00 1.00 H new ATOM 0 HD12 ILE A 52 -5.917 -4.537 -19.101 1.00 1.00 H new ATOM 0 HD13 ILE A 52 -6.361 -2.976 -19.831 1.00 1.00 H new ATOM 856 N SER A 53 -11.181 -6.328 -19.192 1.00 1.00 N ATOM 857 CA SER A 53 -12.588 -6.628 -19.593 1.00 1.00 C ATOM 858 C SER A 53 -13.468 -7.138 -18.421 1.00 1.00 C ATOM 859 O SER A 53 -14.657 -6.801 -18.346 1.00 1.00 O ATOM 860 CB SER A 53 -12.657 -7.594 -20.718 1.00 1.00 C ATOM 861 OG SER A 53 -12.256 -6.994 -21.921 1.00 1.00 O ATOM 0 H SER A 53 -10.481 -6.865 -19.704 1.00 1.00 H new ATOM 0 HA SER A 53 -12.992 -5.670 -19.920 1.00 1.00 H new ATOM 0 HB2 SER A 53 -12.019 -8.452 -20.505 1.00 1.00 H new ATOM 0 HB3 SER A 53 -13.675 -7.970 -20.817 1.00 1.00 H new ATOM 0 HG SER A 53 -11.278 -7.011 -21.985 1.00 1.00 H new ATOM 867 N LYS A 54 -12.772 -7.835 -17.429 1.00 1.00 N ATOM 868 CA LYS A 54 -13.409 -8.361 -16.211 1.00 1.00 C ATOM 869 C LYS A 54 -13.788 -7.268 -15.202 1.00 1.00 C ATOM 870 O LYS A 54 -14.839 -7.342 -14.569 1.00 1.00 O ATOM 871 CB LYS A 54 -12.538 -9.397 -15.562 1.00 1.00 C ATOM 872 CG LYS A 54 -12.895 -10.807 -15.946 1.00 1.00 C ATOM 873 CD LYS A 54 -11.925 -11.792 -15.334 1.00 1.00 C ATOM 874 CE LYS A 54 -12.294 -13.216 -15.699 1.00 1.00 C ATOM 875 NZ LYS A 54 -11.336 -14.201 -15.130 1.00 1.00 N ATOM 0 H LYS A 54 -11.772 -8.027 -17.482 1.00 1.00 H new ATOM 0 HA LYS A 54 -14.343 -8.823 -16.530 1.00 1.00 H new ATOM 0 HB2 LYS A 54 -11.499 -9.207 -15.832 1.00 1.00 H new ATOM 0 HB3 LYS A 54 -12.610 -9.294 -14.479 1.00 1.00 H new ATOM 0 HG2 LYS A 54 -13.908 -11.034 -15.614 1.00 1.00 H new ATOM 0 HG3 LYS A 54 -12.885 -10.907 -17.031 1.00 1.00 H new ATOM 0 HD2 LYS A 54 -10.914 -11.575 -15.679 1.00 1.00 H new ATOM 0 HD3 LYS A 54 -11.923 -11.680 -14.250 1.00 1.00 H new ATOM 0 HE2 LYS A 54 -13.298 -13.435 -15.336 1.00 1.00 H new ATOM 0 HE3 LYS A 54 -12.318 -13.318 -16.784 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 -11.624 -15.162 -15.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 -10.382 -14.008 -15.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 -11.332 -14.122 -14.093 1.00 1.00 H new ATOM 889 N ILE A 55 -12.931 -6.214 -15.174 1.00 1.00 N ATOM 890 CA ILE A 55 -13.095 -5.051 -14.280 1.00 1.00 C ATOM 891 C ILE A 55 -13.999 -4.009 -14.894 1.00 1.00 C ATOM 892 O ILE A 55 -14.833 -3.445 -14.172 1.00 1.00 O ATOM 893 CB ILE A 55 -11.750 -4.407 -13.826 1.00 1.00 C ATOM 894 CG1 ILE A 55 -10.629 -5.465 -13.696 1.00 1.00 C ATOM 895 CG2 ILE A 55 -11.941 -3.671 -12.481 1.00 1.00 C ATOM 896 CD1 ILE A 55 -9.315 -5.040 -14.306 1.00 1.00 C ATOM 0 H ILE A 55 -12.108 -6.153 -15.774 1.00 1.00 H new ATOM 0 HA ILE A 55 -13.564 -5.445 -13.379 1.00 1.00 H new ATOM 0 HB ILE A 55 -11.448 -3.691 -14.591 1.00 1.00 H new ATOM 0 HG12 ILE A 55 -10.473 -5.688 -12.640 1.00 1.00 H new ATOM 0 HG13 ILE A 55 -10.958 -6.389 -14.172 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -10.995 -3.225 -12.173 1.00 1.00 H new ATOM 0 HG22 ILE A 55 -12.691 -2.888 -12.598 1.00 1.00 H new ATOM 0 HG23 ILE A 55 -12.272 -4.380 -11.722 1.00 1.00 H new ATOM 0 HD11 ILE A 55 -8.579 -5.834 -14.175 1.00 1.00 H new ATOM 0 HD12 ILE A 55 -9.454 -4.845 -15.370 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -8.962 -4.134 -13.814 1.00 1.00 H new ATOM 908 N ALA A 56 -13.842 -3.800 -16.263 1.00 1.00 N ATOM 909 CA ALA A 56 -14.660 -2.847 -17.024 1.00 1.00 C ATOM 910 C ALA A 56 -16.203 -3.151 -16.991 1.00 1.00 C ATOM 911 O ALA A 56 -16.988 -2.291 -17.295 1.00 1.00 O ATOM 912 CB ALA A 56 -14.121 -2.747 -18.436 1.00 1.00 C ATOM 0 H ALA A 56 -13.151 -4.293 -16.829 1.00 1.00 H new ATOM 0 HA ALA A 56 -14.575 -1.878 -16.533 1.00 1.00 H new ATOM 0 HB1 ALA A 56 -14.724 -2.041 -19.007 1.00 1.00 H new ATOM 0 HB2 ALA A 56 -13.088 -2.401 -18.407 1.00 1.00 H new ATOM 0 HB3 ALA A 56 -14.163 -3.727 -18.912 1.00 1.00 H new ATOM 918 N LYS A 57 -16.504 -4.485 -16.762 1.00 1.00 N ATOM 919 CA LYS A 57 -17.897 -5.002 -16.696 1.00 1.00 C ATOM 920 C LYS A 57 -18.521 -4.911 -15.250 1.00 1.00 C ATOM 921 O LYS A 57 -19.731 -4.661 -15.135 1.00 1.00 O ATOM 922 CB LYS A 57 -17.952 -6.359 -17.280 1.00 1.00 C ATOM 923 CG LYS A 57 -17.860 -6.365 -18.791 1.00 1.00 C ATOM 924 CD LYS A 57 -17.858 -7.769 -19.315 1.00 1.00 C ATOM 925 CE LYS A 57 -17.400 -7.812 -20.757 1.00 1.00 C ATOM 926 NZ LYS A 57 -17.956 -8.990 -21.475 1.00 1.00 N ATOM 0 H LYS A 57 -15.793 -5.203 -16.623 1.00 1.00 H new ATOM 0 HA LYS A 57 -18.534 -4.354 -17.299 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.137 -6.956 -16.871 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.882 -6.840 -16.978 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.701 -5.815 -19.214 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -16.952 -5.852 -19.107 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -17.202 -8.388 -18.703 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.860 -8.191 -19.236 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -17.708 -6.898 -21.264 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -16.311 -7.845 -20.792 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -17.621 -8.986 -22.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -17.641 -9.863 -21.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -18.995 -8.945 -21.463 1.00 1.00 H new ATOM 940 N ARG A 58 -17.631 -5.123 -14.270 1.00 1.00 N ATOM 941 CA ARG A 58 -17.954 -4.881 -12.809 1.00 1.00 C ATOM 942 C ARG A 58 -18.062 -3.345 -12.520 1.00 1.00 C ATOM 943 O ARG A 58 -18.746 -2.919 -11.597 1.00 1.00 O ATOM 944 CB ARG A 58 -16.956 -5.496 -11.923 1.00 1.00 C ATOM 945 CG ARG A 58 -17.422 -6.773 -11.336 1.00 1.00 C ATOM 946 CD ARG A 58 -16.342 -7.340 -10.529 1.00 1.00 C ATOM 947 NE ARG A 58 -16.817 -8.331 -9.585 1.00 1.00 N ATOM 948 CZ ARG A 58 -15.982 -9.064 -8.847 1.00 1.00 C ATOM 949 NH1 ARG A 58 -14.776 -8.597 -8.538 1.00 1.00 N ATOM 950 NH2 ARG A 58 -16.363 -10.231 -8.422 1.00 1.00 N ATOM 0 H ARG A 58 -16.682 -5.459 -14.435 1.00 1.00 H new ATOM 0 HA ARG A 58 -18.916 -5.351 -12.603 1.00 1.00 H new ATOM 0 HB2 ARG A 58 -16.038 -5.672 -12.484 1.00 1.00 H new ATOM 0 HB3 ARG A 58 -16.711 -4.800 -11.121 1.00 1.00 H new ATOM 0 HG2 ARG A 58 -18.306 -6.606 -10.720 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -17.710 -7.469 -12.124 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -15.602 -7.795 -11.187 1.00 1.00 H new ATOM 0 HD3 ARG A 58 -15.838 -6.539 -9.988 1.00 1.00 H new ATOM 0 HE ARG A 58 -17.822 -8.473 -9.481 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -14.487 -7.675 -8.866 1.00 1.00 H new ATOM 0 HH12 ARG A 58 -14.140 -9.160 -7.973 1.00 1.00 H new ATOM 0 HH21 ARG A 58 -17.293 -10.579 -8.653 1.00 1.00 H new ATOM 0 HH22 ARG A 58 -15.732 -10.799 -7.857 1.00 1.00 H new ATOM 964 N GLU A 59 -17.428 -2.551 -13.470 1.00 1.00 N ATOM 965 CA GLU A 59 -17.463 -1.082 -13.443 1.00 1.00 C ATOM 966 C GLU A 59 -18.656 -0.489 -14.231 1.00 1.00 C ATOM 967 O GLU A 59 -18.788 0.755 -14.357 1.00 1.00 O ATOM 968 CB GLU A 59 -16.144 -0.524 -13.923 1.00 1.00 C ATOM 969 CG GLU A 59 -15.457 0.348 -12.893 1.00 1.00 C ATOM 970 CD GLU A 59 -14.143 0.894 -13.401 1.00 1.00 C ATOM 971 OE1 GLU A 59 -14.146 1.987 -14.016 1.00 1.00 O ATOM 972 OE2 GLU A 59 -13.107 0.230 -13.192 1.00 1.00 O ATOM 0 H GLU A 59 -16.895 -2.934 -14.251 1.00 1.00 H new ATOM 0 HA GLU A 59 -17.618 -0.779 -12.407 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -15.483 -1.349 -14.191 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -16.311 0.058 -14.829 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -16.113 1.175 -12.622 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -15.283 -0.231 -11.986 1.00 1.00 H new ATOM 979 N GLY A 60 -19.560 -1.425 -14.719 1.00 1.00 N ATOM 980 CA GLY A 60 -20.752 -1.038 -15.495 1.00 1.00 C ATOM 981 C GLY A 60 -20.462 -0.343 -16.815 1.00 1.00 C ATOM 982 O GLY A 60 -21.136 0.646 -17.130 1.00 1.00 O ATOM 0 H GLY A 60 -19.464 -2.430 -14.577 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -21.343 -1.932 -15.695 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -21.368 -0.379 -14.882 1.00 1.00 H new ATOM 986 N MET A 61 -19.300 -0.717 -17.453 1.00 1.00 N ATOM 987 CA MET A 61 -18.848 -0.128 -18.702 1.00 1.00 C ATOM 988 C MET A 61 -18.864 -1.192 -19.797 1.00 1.00 C ATOM 989 O MET A 61 -18.579 -2.384 -19.541 1.00 1.00 O ATOM 990 CB MET A 61 -17.478 0.524 -18.534 1.00 1.00 C ATOM 991 CG MET A 61 -17.543 1.969 -18.044 1.00 1.00 C ATOM 992 SD MET A 61 -16.452 2.274 -16.641 1.00 1.00 S ATOM 993 CE MET A 61 -15.020 2.983 -17.457 1.00 1.00 C ATOM 0 H MET A 61 -18.674 -1.436 -17.091 1.00 1.00 H new ATOM 0 HA MET A 61 -19.528 0.670 -19.000 1.00 1.00 H new ATOM 0 HB2 MET A 61 -16.890 -0.063 -17.829 1.00 1.00 H new ATOM 0 HB3 MET A 61 -16.953 0.496 -19.489 1.00 1.00 H new ATOM 0 HG2 MET A 61 -17.274 2.638 -18.861 1.00 1.00 H new ATOM 0 HG3 MET A 61 -18.568 2.207 -17.761 1.00 1.00 H new ATOM 0 HE1 MET A 61 -14.259 3.223 -16.714 1.00 1.00 H new ATOM 0 HE2 MET A 61 -14.616 2.266 -18.171 1.00 1.00 H new ATOM 0 HE3 MET A 61 -15.313 3.892 -17.982 1.00 1.00 H new ATOM 1003 N VAL A 62 -19.134 -0.732 -21.017 1.00 1.00 N ATOM 1004 CA VAL A 62 -19.238 -1.603 -22.190 1.00 1.00 C ATOM 1005 C VAL A 62 -18.119 -1.333 -23.180 1.00 1.00 C ATOM 1006 O VAL A 62 -17.943 -0.165 -23.613 1.00 1.00 O ATOM 1007 CB VAL A 62 -20.640 -1.478 -22.899 1.00 1.00 C ATOM 1008 CG1 VAL A 62 -21.575 -2.577 -22.422 1.00 1.00 C ATOM 1009 CG2 VAL A 62 -21.282 -0.086 -22.685 1.00 1.00 C ATOM 0 H VAL A 62 -19.287 0.255 -21.222 1.00 1.00 H new ATOM 0 HA VAL A 62 -19.140 -2.627 -21.828 1.00 1.00 H new ATOM 0 HB VAL A 62 -20.473 -1.593 -23.970 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -22.539 -2.477 -22.921 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -21.144 -3.550 -22.658 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -21.714 -2.494 -21.344 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -22.246 -0.048 -23.192 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -21.426 0.088 -21.619 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -20.627 0.683 -23.093 1.00 1.00 H new ATOM 1019 N LEU A 63 -17.378 -2.410 -23.515 1.00 1.00 N ATOM 1020 CA LEU A 63 -16.295 -2.333 -24.509 1.00 1.00 C ATOM 1021 C LEU A 63 -16.769 -2.908 -25.848 1.00 1.00 C ATOM 1022 O LEU A 63 -17.347 -4.030 -25.881 1.00 1.00 O ATOM 1023 CB LEU A 63 -15.052 -3.055 -24.016 1.00 1.00 C ATOM 1024 CG LEU A 63 -13.885 -2.161 -23.607 1.00 1.00 C ATOM 1025 CD1 LEU A 63 -13.516 -2.396 -22.154 1.00 1.00 C ATOM 1026 CD2 LEU A 63 -12.691 -2.421 -24.509 1.00 1.00 C ATOM 0 H LEU A 63 -17.511 -3.337 -23.112 1.00 1.00 H new ATOM 0 HA LEU A 63 -16.031 -1.285 -24.655 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -15.328 -3.673 -23.162 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -14.711 -3.730 -24.801 1.00 1.00 H new ATOM 0 HG LEU A 63 -14.187 -1.119 -23.716 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -12.682 -1.749 -21.881 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -14.373 -2.170 -21.520 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -13.228 -3.438 -22.016 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -11.863 -1.779 -24.210 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -12.390 -3.465 -24.423 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -12.962 -2.206 -25.543 1.00 1.00 H new ATOM 1038 N LEU A 64 -16.639 -2.073 -26.901 1.00 1.00 N ATOM 1039 CA LEU A 64 -17.039 -2.473 -28.272 1.00 1.00 C ATOM 1040 C LEU A 64 -15.824 -2.737 -29.145 1.00 1.00 C ATOM 1041 O LEU A 64 -14.863 -1.920 -29.165 1.00 1.00 O ATOM 1042 CB LEU A 64 -17.940 -1.440 -28.919 1.00 1.00 C ATOM 1043 CG LEU A 64 -19.429 -1.588 -28.627 1.00 1.00 C ATOM 1044 CD1 LEU A 64 -19.964 -0.336 -27.954 1.00 1.00 C ATOM 1045 CD2 LEU A 64 -20.187 -1.870 -29.917 1.00 1.00 C ATOM 0 H LEU A 64 -16.264 -1.127 -26.832 1.00 1.00 H new ATOM 0 HA LEU A 64 -17.605 -3.400 -28.180 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -17.621 -0.450 -28.592 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -17.794 -1.482 -29.998 1.00 1.00 H new ATOM 0 HG LEU A 64 -19.573 -2.428 -27.947 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -21.028 -0.458 -27.752 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -19.433 -0.172 -27.016 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -19.815 0.522 -28.610 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -21.250 -1.974 -29.699 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -20.039 -1.045 -30.614 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -19.816 -2.793 -30.363 1.00 1.00 H new ATOM 1057 N ILE A 65 -15.858 -3.899 -29.825 1.00 1.00 N ATOM 1058 CA ILE A 65 -14.745 -4.334 -30.696 1.00 1.00 C ATOM 1059 C ILE A 65 -15.247 -4.346 -32.138 1.00 1.00 C ATOM 1060 O ILE A 65 -16.331 -4.904 -32.416 1.00 1.00 O ATOM 1061 CB ILE A 65 -14.137 -5.731 -30.271 1.00 1.00 C ATOM 1062 CG1 ILE A 65 -14.106 -5.892 -28.732 1.00 1.00 C ATOM 1063 CG2 ILE A 65 -12.712 -5.894 -30.821 1.00 1.00 C ATOM 1064 CD1 ILE A 65 -15.020 -6.978 -28.219 1.00 1.00 C ATOM 0 H ILE A 65 -16.640 -4.553 -29.789 1.00 1.00 H new ATOM 0 HA ILE A 65 -13.921 -3.628 -30.594 1.00 1.00 H new ATOM 0 HB ILE A 65 -14.782 -6.502 -30.692 1.00 1.00 H new ATOM 0 HG12 ILE A 65 -13.085 -6.110 -28.418 1.00 1.00 H new ATOM 0 HG13 ILE A 65 -14.386 -4.945 -28.270 1.00 1.00 H new ATOM 0 HG21 ILE A 65 -12.313 -6.862 -30.517 1.00 1.00 H new ATOM 0 HG22 ILE A 65 -12.733 -5.836 -31.909 1.00 1.00 H new ATOM 0 HG23 ILE A 65 -12.077 -5.100 -30.428 1.00 1.00 H new ATOM 0 HD11 ILE A 65 -14.946 -7.033 -27.133 1.00 1.00 H new ATOM 0 HD12 ILE A 65 -16.048 -6.752 -28.501 1.00 1.00 H new ATOM 0 HD13 ILE A 65 -14.727 -7.935 -28.652 1.00 1.00 H new ATOM 1076 N LYS A 66 -14.405 -3.727 -33.039 1.00 1.00 N ATOM 1077 CA LYS A 66 -14.689 -3.659 -34.451 1.00 1.00 C ATOM 1078 C LYS A 66 -14.316 -4.985 -35.150 1.00 1.00 C ATOM 1079 O LYS A 66 -13.236 -5.575 -34.873 1.00 1.00 O ATOM 1080 CB LYS A 66 -14.037 -2.512 -35.127 1.00 1.00 C ATOM 1081 CG LYS A 66 -15.003 -1.399 -35.419 1.00 1.00 C ATOM 1082 CD LYS A 66 -14.307 -0.071 -35.295 1.00 1.00 C ATOM 1083 CE LYS A 66 -14.857 0.928 -36.289 1.00 1.00 C ATOM 1084 NZ LYS A 66 -13.812 1.874 -36.758 1.00 1.00 N ATOM 0 H LYS A 66 -13.529 -3.278 -32.772 1.00 1.00 H new ATOM 0 HA LYS A 66 -15.764 -3.498 -34.538 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -13.230 -2.134 -34.500 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -13.585 -2.851 -36.059 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -15.410 -1.514 -36.424 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -15.844 -1.445 -34.727 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -14.429 0.314 -34.283 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -13.237 -0.201 -35.460 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -15.276 0.397 -37.144 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -15.673 1.486 -35.829 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -14.228 2.542 -37.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -13.430 2.399 -35.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -13.045 1.344 -37.219 1.00 1.00 H new ATOM 1098 N PRO A 67 -15.243 -5.535 -36.062 1.00 1.00 N ATOM 1099 CA PRO A 67 -14.998 -6.812 -36.761 1.00 1.00 C ATOM 1100 C PRO A 67 -13.868 -6.840 -37.804 1.00 1.00 C ATOM 1101 O PRO A 67 -13.756 -5.984 -38.733 1.00 1.00 O ATOM 1102 CB PRO A 67 -16.328 -7.129 -37.397 1.00 1.00 C ATOM 1103 CG PRO A 67 -17.309 -6.270 -36.675 1.00 1.00 C ATOM 1104 CD PRO A 67 -16.584 -5.013 -36.487 1.00 1.00 C ATOM 0 HA PRO A 67 -14.637 -7.545 -36.040 1.00 1.00 H new ATOM 0 HB2 PRO A 67 -16.319 -6.908 -38.464 1.00 1.00 H new ATOM 0 HB3 PRO A 67 -16.575 -8.186 -37.292 1.00 1.00 H new ATOM 0 HG2 PRO A 67 -18.220 -6.125 -37.255 1.00 1.00 H new ATOM 0 HG3 PRO A 67 -17.604 -6.710 -35.722 1.00 1.00 H new ATOM 0 HD2 PRO A 67 -16.529 -4.425 -37.403 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -17.042 -4.379 -35.728 1.00 1.00 H new ATOM 1112 N ALA A 68 -12.963 -7.824 -37.522 1.00 1.00 N ATOM 1113 CA ALA A 68 -11.811 -8.122 -38.396 1.00 1.00 C ATOM 1114 C ALA A 68 -12.296 -8.739 -39.706 1.00 1.00 C ATOM 1115 O ALA A 68 -13.259 -9.542 -39.721 1.00 1.00 O ATOM 1116 CB ALA A 68 -10.838 -9.026 -37.723 1.00 1.00 C ATOM 0 H ALA A 68 -13.019 -8.418 -36.694 1.00 1.00 H new ATOM 0 HA ALA A 68 -11.297 -7.185 -38.611 1.00 1.00 H new ATOM 0 HB1 ALA A 68 -10.002 -9.225 -38.394 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -10.469 -8.551 -36.814 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -11.330 -9.965 -37.468 1.00 1.00 H new ATOM 1122 N GLN A 69 -11.657 -8.342 -40.794 1.00 1.00 N ATOM 1123 CA GLN A 69 -12.065 -8.745 -42.140 1.00 1.00 C ATOM 1124 C GLN A 69 -10.844 -9.070 -43.023 1.00 1.00 C ATOM 1125 O GLN A 69 -9.751 -8.531 -42.773 1.00 1.00 O ATOM 1126 CB GLN A 69 -13.004 -7.585 -42.750 1.00 1.00 C ATOM 1127 CG GLN A 69 -12.255 -6.301 -43.177 1.00 1.00 C ATOM 1128 CD GLN A 69 -12.899 -5.584 -44.295 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -12.687 -5.948 -45.448 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -13.629 -4.547 -43.987 1.00 1.00 N ATOM 0 H GLN A 69 -10.840 -7.731 -40.775 1.00 1.00 H new ATOM 0 HA GLN A 69 -12.641 -9.670 -42.103 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -13.534 -7.984 -43.615 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -13.757 -7.320 -42.008 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -12.183 -5.631 -42.320 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -11.236 -6.563 -43.463 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -13.769 -4.294 -43.009 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -14.060 -3.989 -44.724 1.00 1.00 H new ATOM 1139 N CYS A 70 -11.122 -9.844 -44.099 1.00 1.00 N ATOM 1140 CA CYS A 70 -10.127 -10.128 -45.154 1.00 1.00 C ATOM 1141 C CYS A 70 -10.245 -9.010 -46.199 1.00 1.00 C ATOM 1142 O CYS A 70 -11.368 -8.758 -46.744 1.00 1.00 O ATOM 1143 CB CYS A 70 -10.316 -11.493 -45.754 1.00 1.00 C ATOM 1144 SG CYS A 70 -8.839 -12.112 -46.560 1.00 1.00 S ATOM 0 H CYS A 70 -12.029 -10.282 -44.257 1.00 1.00 H new ATOM 0 HA CYS A 70 -9.121 -10.142 -44.734 1.00 1.00 H new ATOM 0 HB2 CYS A 70 -10.616 -12.190 -44.971 1.00 1.00 H new ATOM 0 HB3 CYS A 70 -11.130 -11.457 -46.478 1.00 1.00 H new ATOM 0 HG CYS A 70 -9.075 -13.292 -47.052 1.00 1.00 H new ATOM 1150 N ARG A 71 -9.108 -8.323 -46.456 1.00 1.00 N ATOM 1151 CA ARG A 71 -9.060 -7.179 -47.391 1.00 1.00 C ATOM 1152 C ARG A 71 -8.758 -7.551 -48.853 1.00 1.00 C ATOM 1153 O ARG A 71 -8.932 -6.699 -49.765 1.00 1.00 O ATOM 1154 CB ARG A 71 -8.062 -6.165 -46.908 1.00 1.00 C ATOM 1155 CG ARG A 71 -8.686 -5.018 -46.165 1.00 1.00 C ATOM 1156 CD ARG A 71 -7.652 -4.012 -45.844 1.00 1.00 C ATOM 1157 NE ARG A 71 -8.213 -2.801 -45.247 1.00 1.00 N ATOM 1158 CZ ARG A 71 -7.494 -1.679 -45.099 1.00 1.00 C ATOM 1159 NH1 ARG A 71 -6.183 -1.760 -44.937 1.00 1.00 N ATOM 1160 NH2 ARG A 71 -8.090 -0.521 -45.042 1.00 1.00 N ATOM 0 H ARG A 71 -8.210 -8.544 -46.026 1.00 1.00 H new ATOM 0 HA ARG A 71 -10.068 -6.764 -47.396 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -7.340 -6.659 -46.258 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -7.508 -5.776 -47.763 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -9.472 -4.565 -46.769 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -9.155 -5.377 -45.249 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -6.926 -4.448 -45.158 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.112 -3.748 -46.753 1.00 1.00 H new ATOM 0 HE ARG A 71 -9.183 -2.810 -44.933 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -5.726 -2.672 -44.925 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -5.630 -0.911 -44.824 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -9.106 -0.467 -45.110 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -7.540 0.331 -44.929 1.00 1.00 H new ATOM 1174 N LYS A 72 -8.445 -8.856 -49.080 1.00 1.00 N ATOM 1175 CA LYS A 72 -8.096 -9.390 -50.403 1.00 1.00 C ATOM 1176 C LYS A 72 -9.286 -9.970 -51.175 1.00 1.00 C ATOM 1177 O LYS A 72 -9.513 -9.576 -52.332 1.00 1.00 O ATOM 1178 CB LYS A 72 -7.007 -10.435 -50.262 1.00 1.00 C ATOM 1179 CG LYS A 72 -5.640 -9.946 -50.639 1.00 1.00 C ATOM 1180 CD LYS A 72 -4.811 -11.067 -51.232 1.00 1.00 C ATOM 1181 CE LYS A 72 -3.388 -10.614 -51.495 1.00 1.00 C ATOM 1182 NZ LYS A 72 -3.002 -10.805 -52.918 1.00 1.00 N ATOM 0 H LYS A 72 -8.431 -9.559 -48.341 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.741 -8.544 -50.992 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.985 -10.785 -49.230 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -7.259 -11.294 -50.884 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -5.726 -9.132 -51.358 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -5.138 -9.543 -49.760 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.805 -11.918 -50.551 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -5.266 -11.406 -52.163 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -3.286 -9.562 -51.229 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -2.705 -11.172 -50.855 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -2.023 -10.484 -53.058 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -3.075 -11.813 -53.165 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -3.638 -10.252 -53.527 1.00 1.00 H new ATOM 1196 N CYS A 73 -10.088 -10.796 -50.447 1.00 1.00 N ATOM 1197 CA CYS A 73 -11.272 -11.433 -51.032 1.00 1.00 C ATOM 1198 C CYS A 73 -12.565 -10.672 -50.755 1.00 1.00 C ATOM 1199 O CYS A 73 -13.574 -10.854 -51.479 1.00 1.00 O ATOM 1200 CB CYS A 73 -11.385 -12.872 -50.526 1.00 1.00 C ATOM 1201 SG CYS A 73 -11.202 -13.076 -48.726 1.00 1.00 S ATOM 0 H CYS A 73 -9.927 -11.026 -49.466 1.00 1.00 H new ATOM 0 HA CYS A 73 -11.137 -11.424 -52.114 1.00 1.00 H new ATOM 0 HB2 CYS A 73 -12.355 -13.270 -50.824 1.00 1.00 H new ATOM 0 HB3 CYS A 73 -10.626 -13.476 -51.023 1.00 1.00 H new ATOM 0 HG CYS A 73 -10.138 -12.447 -48.324 1.00 1.00 H new ATOM 1207 N GLY A 74 -12.515 -9.795 -49.682 1.00 1.00 N ATOM 1208 CA GLY A 74 -13.679 -9.028 -49.264 1.00 1.00 C ATOM 1209 C GLY A 74 -14.461 -9.676 -48.164 1.00 1.00 C ATOM 1210 O GLY A 74 -15.281 -9.003 -47.528 1.00 1.00 O ATOM 0 H GLY A 74 -11.679 -9.629 -49.122 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -13.354 -8.041 -48.935 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -14.333 -8.878 -50.123 1.00 1.00 H new ATOM 1214 N PHE A 75 -14.210 -11.044 -47.975 1.00 1.00 N ATOM 1215 CA PHE A 75 -14.846 -11.850 -46.930 1.00 1.00 C ATOM 1216 C PHE A 75 -14.636 -11.236 -45.520 1.00 1.00 C ATOM 1217 O PHE A 75 -13.527 -10.791 -45.198 1.00 1.00 O ATOM 1218 CB PHE A 75 -14.316 -13.291 -46.950 1.00 1.00 C ATOM 1219 CG PHE A 75 -15.367 -14.352 -46.647 1.00 1.00 C ATOM 1220 CD1 PHE A 75 -16.206 -14.820 -47.647 1.00 1.00 C ATOM 1221 CD2 PHE A 75 -15.501 -14.852 -45.355 1.00 1.00 C ATOM 1222 CE1 PHE A 75 -17.151 -15.757 -47.375 1.00 1.00 C ATOM 1223 CE2 PHE A 75 -16.451 -15.793 -45.078 1.00 1.00 C ATOM 1224 CZ PHE A 75 -17.279 -16.250 -46.089 1.00 1.00 C ATOM 0 H PHE A 75 -13.562 -11.574 -48.558 1.00 1.00 H new ATOM 0 HA PHE A 75 -15.915 -11.859 -47.143 1.00 1.00 H new ATOM 0 HB2 PHE A 75 -13.885 -13.493 -47.931 1.00 1.00 H new ATOM 0 HB3 PHE A 75 -13.509 -13.379 -46.223 1.00 1.00 H new ATOM 0 HD1 PHE A 75 -16.107 -14.436 -48.652 1.00 1.00 H new ATOM 0 HD2 PHE A 75 -14.852 -14.495 -44.569 1.00 1.00 H new ATOM 0 HE1 PHE A 75 -17.800 -16.116 -48.160 1.00 1.00 H new ATOM 0 HE2 PHE A 75 -16.556 -16.179 -44.075 1.00 1.00 H new ATOM 0 HZ PHE A 75 -18.029 -16.996 -45.872 1.00 1.00 H new ATOM 1234 N VAL A 76 -15.722 -11.203 -44.778 1.00 1.00 N ATOM 1235 CA VAL A 76 -15.764 -10.571 -43.464 1.00 1.00 C ATOM 1236 C VAL A 76 -15.817 -11.595 -42.365 1.00 1.00 C ATOM 1237 O VAL A 76 -16.646 -12.548 -42.432 1.00 1.00 O ATOM 1238 CB VAL A 76 -16.964 -9.570 -43.308 1.00 1.00 C ATOM 1239 CG1 VAL A 76 -16.514 -8.145 -43.594 1.00 1.00 C ATOM 1240 CG2 VAL A 76 -18.153 -9.952 -44.209 1.00 1.00 C ATOM 0 H VAL A 76 -16.610 -11.615 -45.066 1.00 1.00 H new ATOM 0 HA VAL A 76 -14.840 -9.999 -43.380 1.00 1.00 H new ATOM 0 HB VAL A 76 -17.305 -9.631 -42.274 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -17.360 -7.467 -43.481 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -15.727 -7.864 -42.894 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -16.132 -8.082 -44.613 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -18.961 -9.233 -44.070 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -17.836 -9.944 -45.252 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -18.505 -10.949 -43.944 1.00 1.00 H new ATOM 1250 N PHE A 77 -14.893 -11.439 -41.414 1.00 1.00 N ATOM 1251 CA PHE A 77 -14.841 -12.348 -40.260 1.00 1.00 C ATOM 1252 C PHE A 77 -15.494 -11.740 -39.050 1.00 1.00 C ATOM 1253 O PHE A 77 -15.550 -10.493 -38.934 1.00 1.00 O ATOM 1254 CB PHE A 77 -13.373 -12.737 -39.956 1.00 1.00 C ATOM 1255 CG PHE A 77 -12.853 -13.920 -40.750 1.00 1.00 C ATOM 1256 CD1 PHE A 77 -12.393 -13.752 -42.053 1.00 1.00 C ATOM 1257 CD2 PHE A 77 -12.836 -15.190 -40.183 1.00 1.00 C ATOM 1258 CE1 PHE A 77 -11.938 -14.815 -42.771 1.00 1.00 C ATOM 1259 CE2 PHE A 77 -12.377 -16.259 -40.905 1.00 1.00 C ATOM 1260 CZ PHE A 77 -11.925 -16.074 -42.201 1.00 1.00 C ATOM 0 H PHE A 77 -14.182 -10.708 -41.416 1.00 1.00 H new ATOM 0 HA PHE A 77 -15.399 -13.249 -40.512 1.00 1.00 H new ATOM 0 HB2 PHE A 77 -12.735 -11.876 -40.154 1.00 1.00 H new ATOM 0 HB3 PHE A 77 -13.284 -12.963 -38.893 1.00 1.00 H new ATOM 0 HD1 PHE A 77 -12.397 -12.768 -42.499 1.00 1.00 H new ATOM 0 HD2 PHE A 77 -13.186 -15.333 -39.171 1.00 1.00 H new ATOM 0 HE1 PHE A 77 -11.588 -14.675 -43.783 1.00 1.00 H new ATOM 0 HE2 PHE A 77 -12.367 -17.245 -40.465 1.00 1.00 H new ATOM 0 HZ PHE A 77 -11.561 -16.917 -42.769 1.00 1.00 H new ATOM 1270 N LYS A 78 -16.031 -12.627 -38.175 1.00 1.00 N ATOM 1271 CA LYS A 78 -16.660 -12.193 -36.897 1.00 1.00 C ATOM 1272 C LYS A 78 -15.601 -11.541 -35.984 1.00 1.00 C ATOM 1273 O LYS A 78 -14.384 -11.904 -36.101 1.00 1.00 O ATOM 1274 CB LYS A 78 -17.323 -13.357 -36.199 1.00 1.00 C ATOM 1275 CG LYS A 78 -18.804 -13.454 -36.482 1.00 1.00 C ATOM 1276 CD LYS A 78 -19.543 -14.028 -35.290 1.00 1.00 C ATOM 1277 CE LYS A 78 -20.972 -13.516 -35.222 1.00 1.00 C ATOM 1278 NZ LYS A 78 -21.574 -13.728 -33.876 1.00 1.00 N ATOM 0 H LYS A 78 -16.043 -13.636 -38.326 1.00 1.00 H new ATOM 0 HA LYS A 78 -17.431 -11.457 -37.122 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -16.839 -14.283 -36.510 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.170 -13.263 -35.124 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -19.199 -12.466 -36.719 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -18.971 -14.083 -37.357 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -19.548 -15.116 -35.353 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -19.017 -13.764 -34.373 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -20.989 -12.453 -35.464 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -21.576 -14.024 -35.974 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -22.549 -13.365 -33.871 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -21.581 -14.744 -33.655 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -21.013 -13.222 -33.161 1.00 1.00 H new ATOM 1292 N ALA A 79 -16.046 -10.552 -35.136 1.00 1.00 N ATOM 1293 CA ALA A 79 -15.153 -9.797 -34.216 1.00 1.00 C ATOM 1294 C ALA A 79 -14.493 -10.746 -33.201 1.00 1.00 C ATOM 1295 O ALA A 79 -15.175 -11.615 -32.593 1.00 1.00 O ATOM 1296 CB ALA A 79 -15.900 -8.714 -33.539 1.00 1.00 C ATOM 0 H ALA A 79 -17.024 -10.267 -35.080 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.358 -9.336 -34.803 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.230 -8.173 -32.870 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -16.301 -8.027 -34.285 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -16.720 -9.143 -32.963 1.00 1.00 H new ATOM 1302 N GLU A 80 -13.135 -10.649 -33.140 1.00 1.00 N ATOM 1303 CA GLU A 80 -12.287 -11.556 -32.365 1.00 1.00 C ATOM 1304 C GLU A 80 -11.189 -10.773 -31.624 1.00 1.00 C ATOM 1305 O GLU A 80 -11.148 -9.539 -31.680 1.00 1.00 O ATOM 1306 CB GLU A 80 -11.663 -12.595 -33.318 1.00 1.00 C ATOM 1307 CG GLU A 80 -12.299 -13.970 -33.243 1.00 1.00 C ATOM 1308 CD GLU A 80 -11.407 -15.034 -33.840 1.00 1.00 C ATOM 1309 OE1 GLU A 80 -11.500 -15.272 -35.064 1.00 1.00 O ATOM 1310 OE2 GLU A 80 -10.607 -15.627 -33.086 1.00 1.00 O ATOM 0 H GLU A 80 -12.610 -9.929 -33.636 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.893 -12.067 -31.616 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -11.741 -12.226 -34.341 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -10.600 -12.686 -33.093 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -12.512 -14.216 -32.203 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -13.253 -13.958 -33.769 1.00 1.00 H new ATOM 1317 N ILE A 81 -10.532 -11.520 -30.722 1.00 1.00 N ATOM 1318 CA ILE A 81 -9.431 -10.982 -29.906 1.00 1.00 C ATOM 1319 C ILE A 81 -8.060 -11.474 -30.491 1.00 1.00 C ATOM 1320 O ILE A 81 -7.317 -10.655 -31.065 1.00 1.00 O ATOM 1321 CB ILE A 81 -9.637 -11.311 -28.395 1.00 1.00 C ATOM 1322 CG1 ILE A 81 -10.464 -12.625 -28.224 1.00 1.00 C ATOM 1323 CG2 ILE A 81 -10.296 -10.139 -27.719 1.00 1.00 C ATOM 1324 CD1 ILE A 81 -9.754 -13.690 -27.449 1.00 1.00 C ATOM 0 H ILE A 81 -10.745 -12.501 -30.539 1.00 1.00 H new ATOM 0 HA ILE A 81 -9.423 -9.893 -29.957 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.671 -11.483 -27.921 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -11.403 -12.389 -27.723 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.718 -13.014 -29.210 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.442 -10.364 -26.662 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.662 -9.258 -27.818 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -11.262 -9.945 -28.186 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.392 -14.571 -27.373 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -8.828 -13.955 -27.959 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -9.524 -13.321 -26.449 1.00 1.00 H new ATOM 1336 N ASN A 82 -7.701 -12.756 -30.118 1.00 1.00 N ATOM 1337 CA ASN A 82 -6.500 -13.447 -30.666 1.00 1.00 C ATOM 1338 C ASN A 82 -6.702 -13.580 -32.205 1.00 1.00 C ATOM 1339 O ASN A 82 -7.883 -13.740 -32.671 1.00 1.00 O ATOM 1340 CB ASN A 82 -6.285 -14.787 -30.009 1.00 1.00 C ATOM 1341 CG ASN A 82 -5.438 -14.703 -28.770 1.00 1.00 C ATOM 1342 OD1 ASN A 82 -6.097 -14.723 -27.625 1.00 1.00 O flip ATOM 1343 ND2 ASN A 82 -4.215 -14.575 -28.839 1.00 1.00 N flip ATOM 0 H ASN A 82 -8.229 -13.314 -29.447 1.00 1.00 H new ATOM 0 HA ASN A 82 -5.600 -12.868 -30.457 1.00 1.00 H new ATOM 0 HB2 ASN A 82 -7.252 -15.220 -29.753 1.00 1.00 H new ATOM 0 HB3 ASN A 82 -5.812 -15.463 -30.721 1.00 1.00 H new ATOM 0 HD21 ASN A 82 -3.754 -14.566 -29.749 1.00 1.00 H new ATOM 0 HD22 ASN A 82 -3.663 -14.478 -27.986 1.00 1.00 H new ATOM 1350 N ILE A 83 -5.596 -13.515 -32.947 1.00 1.00 N ATOM 1351 CA ILE A 83 -5.609 -13.529 -34.393 1.00 1.00 C ATOM 1352 C ILE A 83 -5.141 -14.904 -34.921 1.00 1.00 C ATOM 1353 O ILE A 83 -4.112 -15.401 -34.477 1.00 1.00 O ATOM 1354 CB ILE A 83 -4.745 -12.378 -35.015 1.00 1.00 C ATOM 1355 CG1 ILE A 83 -5.118 -11.032 -34.375 1.00 1.00 C ATOM 1356 CG2 ILE A 83 -4.872 -12.294 -36.560 1.00 1.00 C ATOM 1357 CD1 ILE A 83 -3.940 -10.339 -33.744 1.00 1.00 C ATOM 0 H ILE A 83 -4.660 -13.451 -32.547 1.00 1.00 H new ATOM 0 HA ILE A 83 -6.639 -13.355 -34.705 1.00 1.00 H new ATOM 0 HB ILE A 83 -3.703 -12.611 -34.798 1.00 1.00 H new ATOM 0 HG12 ILE A 83 -5.552 -10.382 -35.135 1.00 1.00 H new ATOM 0 HG13 ILE A 83 -5.886 -11.195 -33.619 1.00 1.00 H new ATOM 0 HG21 ILE A 83 -4.251 -11.479 -36.932 1.00 1.00 H new ATOM 0 HG22 ILE A 83 -4.542 -13.233 -37.004 1.00 1.00 H new ATOM 0 HG23 ILE A 83 -5.912 -12.111 -36.830 1.00 1.00 H new ATOM 0 HD11 ILE A 83 -4.264 -9.394 -33.308 1.00 1.00 H new ATOM 0 HD12 ILE A 83 -3.520 -10.973 -32.963 1.00 1.00 H new ATOM 0 HD13 ILE A 83 -3.181 -10.147 -34.503 1.00 1.00 H new ATOM 1369 N PRO A 84 -5.886 -15.480 -35.980 1.00 1.00 N ATOM 1370 CA PRO A 84 -5.446 -16.711 -36.670 1.00 1.00 C ATOM 1371 C PRO A 84 -4.255 -16.504 -37.650 1.00 1.00 C ATOM 1372 O PRO A 84 -4.067 -15.379 -38.203 1.00 1.00 O ATOM 1373 CB PRO A 84 -6.705 -17.170 -37.385 1.00 1.00 C ATOM 1374 CG PRO A 84 -7.828 -16.430 -36.741 1.00 1.00 C ATOM 1375 CD PRO A 84 -7.268 -15.103 -36.490 1.00 1.00 C ATOM 0 HA PRO A 84 -5.047 -17.445 -35.970 1.00 1.00 H new ATOM 0 HB2 PRO A 84 -6.652 -16.950 -38.451 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -6.840 -18.247 -37.288 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -8.701 -16.380 -37.392 1.00 1.00 H new ATOM 0 HG3 PRO A 84 -8.147 -16.912 -35.817 1.00 1.00 H new ATOM 0 HD2 PRO A 84 -7.225 -14.493 -37.392 1.00 1.00 H new ATOM 0 HD3 PRO A 84 -7.843 -14.542 -35.753 1.00 1.00 H new ATOM 1383 N SER A 85 -3.484 -17.598 -37.823 1.00 1.00 N ATOM 1384 CA SER A 85 -2.333 -17.634 -38.746 1.00 1.00 C ATOM 1385 C SER A 85 -2.759 -17.981 -40.190 1.00 1.00 C ATOM 1386 O SER A 85 -2.060 -17.613 -41.153 1.00 1.00 O ATOM 1387 CB SER A 85 -1.283 -18.604 -38.250 1.00 1.00 C ATOM 1388 OG SER A 85 -0.501 -18.008 -37.240 1.00 1.00 O ATOM 0 H SER A 85 -3.642 -18.476 -37.329 1.00 1.00 H new ATOM 0 HA SER A 85 -1.903 -16.633 -38.768 1.00 1.00 H new ATOM 0 HB2 SER A 85 -1.763 -19.503 -37.864 1.00 1.00 H new ATOM 0 HB3 SER A 85 -0.645 -18.914 -39.078 1.00 1.00 H new ATOM 0 HG SER A 85 0.173 -18.648 -36.928 1.00 1.00 H new ATOM 1394 N ARG A 86 -3.929 -18.700 -40.309 1.00 1.00 N ATOM 1395 CA ARG A 86 -4.500 -19.103 -41.581 1.00 1.00 C ATOM 1396 C ARG A 86 -5.996 -19.029 -41.523 1.00 1.00 C ATOM 1397 O ARG A 86 -6.624 -19.438 -40.506 1.00 1.00 O ATOM 1398 CB ARG A 86 -3.997 -20.517 -41.990 1.00 1.00 C ATOM 1399 CG ARG A 86 -2.731 -20.463 -42.834 1.00 1.00 C ATOM 1400 CD ARG A 86 -2.440 -21.809 -43.388 1.00 1.00 C ATOM 1401 NE ARG A 86 -1.312 -21.812 -44.327 1.00 1.00 N ATOM 1402 CZ ARG A 86 -1.305 -22.534 -45.472 1.00 1.00 C ATOM 1403 NH1 ARG A 86 -2.442 -22.961 -46.002 1.00 1.00 N ATOM 1404 NH2 ARG A 86 -0.182 -22.806 -46.071 1.00 1.00 N ATOM 0 H ARG A 86 -4.479 -19.001 -39.504 1.00 1.00 H new ATOM 0 HA ARG A 86 -4.166 -18.412 -42.355 1.00 1.00 H new ATOM 0 HB2 ARG A 86 -3.807 -21.105 -41.092 1.00 1.00 H new ATOM 0 HB3 ARG A 86 -4.780 -21.031 -42.548 1.00 1.00 H new ATOM 0 HG2 ARG A 86 -2.853 -19.744 -43.644 1.00 1.00 H new ATOM 0 HG3 ARG A 86 -1.893 -20.120 -42.228 1.00 1.00 H new ATOM 0 HD2 ARG A 86 -2.225 -22.494 -42.568 1.00 1.00 H new ATOM 0 HD3 ARG A 86 -3.328 -22.187 -43.895 1.00 1.00 H new ATOM 0 HE ARG A 86 -0.495 -21.243 -44.106 1.00 1.00 H new ATOM 0 HH11 ARG A 86 -3.329 -22.746 -45.547 1.00 1.00 H new ATOM 0 HH12 ARG A 86 -2.430 -23.505 -46.865 1.00 1.00 H new ATOM 0 HH21 ARG A 86 0.699 -22.475 -45.678 1.00 1.00 H new ATOM 0 HH22 ARG A 86 -0.183 -23.350 -46.934 1.00 1.00 H new ATOM 1418 N CYS A 87 -6.609 -18.616 -42.693 1.00 1.00 N ATOM 1419 CA CYS A 87 -8.056 -18.568 -42.859 1.00 1.00 C ATOM 1420 C CYS A 87 -8.600 -19.970 -43.235 1.00 1.00 C ATOM 1421 O CYS A 87 -7.875 -20.716 -43.954 1.00 1.00 O ATOM 1422 CB CYS A 87 -8.500 -17.543 -43.876 1.00 1.00 C ATOM 1423 SG CYS A 87 -8.655 -15.870 -43.221 1.00 1.00 S ATOM 0 H CYS A 87 -6.091 -18.317 -43.519 1.00 1.00 H new ATOM 0 HA CYS A 87 -8.472 -18.259 -41.900 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -7.787 -17.534 -44.701 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.461 -17.850 -44.289 1.00 1.00 H new ATOM 0 HG CYS A 87 -9.897 -15.638 -42.914 1.00 1.00 H new ATOM 1509 N GLU A 93 -3.302 -13.424 -45.748 1.00 1.00 N ATOM 1510 CA GLU A 93 -2.105 -12.543 -45.677 1.00 1.00 C ATOM 1511 C GLU A 93 -2.500 -11.134 -45.235 1.00 1.00 C ATOM 1512 O GLU A 93 -1.905 -10.619 -44.264 1.00 1.00 O ATOM 1513 CB GLU A 93 -1.309 -12.537 -47.009 1.00 1.00 C ATOM 1514 CG GLU A 93 -0.159 -13.526 -47.036 1.00 1.00 C ATOM 1515 CD GLU A 93 0.561 -13.498 -48.362 1.00 1.00 C ATOM 1516 OE1 GLU A 93 0.161 -14.257 -49.275 1.00 1.00 O ATOM 1517 OE2 GLU A 93 1.512 -12.705 -48.499 1.00 1.00 O ATOM 0 HA GLU A 93 -1.432 -12.951 -44.922 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -1.990 -12.762 -47.830 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -0.919 -11.534 -47.184 1.00 1.00 H new ATOM 0 HG2 GLU A 93 0.542 -13.293 -46.235 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -0.537 -14.531 -46.847 1.00 1.00 H new ATOM 1524 N TRP A 94 -3.488 -10.546 -45.967 1.00 1.00 N ATOM 1525 CA TRP A 94 -3.974 -9.194 -45.720 1.00 1.00 C ATOM 1526 C TRP A 94 -5.308 -9.175 -44.987 1.00 1.00 C ATOM 1527 O TRP A 94 -6.391 -9.338 -45.593 1.00 1.00 O ATOM 1528 CB TRP A 94 -4.074 -8.431 -47.043 1.00 1.00 C ATOM 1529 CG TRP A 94 -2.756 -7.919 -47.582 1.00 1.00 C ATOM 1530 CD1 TRP A 94 -1.978 -8.534 -48.509 1.00 1.00 C ATOM 1531 CD2 TRP A 94 -2.071 -6.697 -47.209 1.00 1.00 C ATOM 1532 NE1 TRP A 94 -0.852 -7.797 -48.733 1.00 1.00 N ATOM 1533 CE2 TRP A 94 -0.893 -6.666 -47.950 1.00 1.00 C ATOM 1534 CE3 TRP A 94 -2.348 -5.652 -46.306 1.00 1.00 C ATOM 1535 CZ2 TRP A 94 0.005 -5.617 -47.843 1.00 1.00 C ATOM 1536 CZ3 TRP A 94 -1.470 -4.624 -46.199 1.00 1.00 C ATOM 1537 CH2 TRP A 94 -0.293 -4.612 -46.958 1.00 1.00 C ATOM 0 H TRP A 94 -3.958 -11.013 -46.742 1.00 1.00 H new ATOM 0 HA TRP A 94 -3.254 -8.701 -45.066 1.00 1.00 H new ATOM 0 HB2 TRP A 94 -4.527 -9.084 -47.789 1.00 1.00 H new ATOM 0 HB3 TRP A 94 -4.748 -7.585 -46.908 1.00 1.00 H new ATOM 0 HD1 TRP A 94 -2.215 -9.468 -48.997 1.00 1.00 H new ATOM 0 HE1 TRP A 94 -0.101 -8.044 -49.377 1.00 1.00 H new ATOM 0 HE3 TRP A 94 -3.247 -5.669 -45.707 1.00 1.00 H new ATOM 0 HZ2 TRP A 94 0.908 -5.591 -48.435 1.00 1.00 H new ATOM 0 HZ3 TRP A 94 -1.680 -3.808 -45.523 1.00 1.00 H new ATOM 0 HH2 TRP A 94 0.398 -3.790 -46.844 1.00 1.00 H new ATOM 1548 N ILE A 95 -5.204 -9.054 -43.668 1.00 1.00 N ATOM 1549 CA ILE A 95 -6.382 -9.017 -42.781 1.00 1.00 C ATOM 1550 C ILE A 95 -6.330 -7.767 -41.924 1.00 1.00 C ATOM 1551 O ILE A 95 -5.221 -7.357 -41.496 1.00 1.00 O ATOM 1552 CB ILE A 95 -6.571 -10.335 -41.903 1.00 1.00 C ATOM 1553 CG1 ILE A 95 -5.203 -10.984 -41.520 1.00 1.00 C ATOM 1554 CG2 ILE A 95 -7.473 -11.335 -42.642 1.00 1.00 C ATOM 1555 CD1 ILE A 95 -5.130 -11.551 -40.145 1.00 1.00 C ATOM 0 H ILE A 95 -4.313 -8.979 -43.178 1.00 1.00 H new ATOM 0 HA ILE A 95 -7.266 -8.983 -43.418 1.00 1.00 H new ATOM 0 HB ILE A 95 -7.055 -10.050 -40.969 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -4.983 -11.777 -42.234 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -4.421 -10.233 -41.627 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -7.596 -12.232 -42.035 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -8.448 -10.882 -42.822 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -7.016 -11.602 -43.595 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -4.140 -11.977 -39.979 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -5.312 -10.762 -39.416 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -5.884 -12.330 -40.032 1.00 1.00 H new ATOM 1567 N GLU A 96 -7.536 -7.226 -41.605 1.00 1.00 N ATOM 1568 CA GLU A 96 -7.650 -6.034 -40.748 1.00 1.00 C ATOM 1569 C GLU A 96 -7.765 -6.438 -39.271 1.00 1.00 C ATOM 1570 O GLU A 96 -8.507 -7.385 -38.948 1.00 1.00 O ATOM 1571 CB GLU A 96 -8.813 -5.193 -41.197 1.00 1.00 C ATOM 1572 CG GLU A 96 -8.410 -3.981 -42.016 1.00 1.00 C ATOM 1573 CD GLU A 96 -9.571 -3.028 -42.234 1.00 1.00 C ATOM 1574 OE1 GLU A 96 -10.331 -3.222 -43.210 1.00 1.00 O ATOM 1575 OE2 GLU A 96 -9.724 -2.088 -41.425 1.00 1.00 O ATOM 0 H GLU A 96 -8.429 -7.598 -41.929 1.00 1.00 H new ATOM 0 HA GLU A 96 -6.746 -5.432 -40.843 1.00 1.00 H new ATOM 0 HB2 GLU A 96 -9.490 -5.811 -41.787 1.00 1.00 H new ATOM 0 HB3 GLU A 96 -9.369 -4.860 -40.320 1.00 1.00 H new ATOM 0 HG2 GLU A 96 -7.600 -3.455 -41.510 1.00 1.00 H new ATOM 0 HG3 GLU A 96 -8.024 -4.308 -42.981 1.00 1.00 H new ATOM 1582 N GLU A 97 -6.934 -5.767 -38.415 1.00 1.00 N ATOM 1583 CA GLU A 97 -6.931 -6.014 -36.982 1.00 1.00 C ATOM 1584 C GLU A 97 -8.050 -5.210 -36.289 1.00 1.00 C ATOM 1585 O GLU A 97 -8.352 -4.070 -36.719 1.00 1.00 O ATOM 1586 CB GLU A 97 -5.610 -5.738 -36.331 1.00 1.00 C ATOM 1587 CG GLU A 97 -4.972 -6.968 -35.711 1.00 1.00 C ATOM 1588 CD GLU A 97 -3.478 -6.802 -35.558 1.00 1.00 C ATOM 1589 OE1 GLU A 97 -3.039 -6.274 -34.509 1.00 1.00 O ATOM 1590 OE2 GLU A 97 -2.744 -7.179 -36.496 1.00 1.00 O ATOM 0 H GLU A 97 -6.267 -5.056 -38.716 1.00 1.00 H new ATOM 0 HA GLU A 97 -7.119 -7.081 -36.858 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.929 -5.320 -37.072 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -5.745 -4.980 -35.559 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -5.419 -7.158 -34.735 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -5.180 -7.839 -36.332 1.00 1.00 H new ATOM 1597 N PRO A 98 -8.740 -5.796 -35.202 1.00 1.00 N ATOM 1598 CA PRO A 98 -9.816 -5.097 -34.474 1.00 1.00 C ATOM 1599 C PRO A 98 -9.385 -3.848 -33.678 1.00 1.00 C ATOM 1600 O PRO A 98 -8.175 -3.646 -33.366 1.00 1.00 O ATOM 1601 CB PRO A 98 -10.370 -6.177 -33.573 1.00 1.00 C ATOM 1602 CG PRO A 98 -9.942 -7.453 -34.190 1.00 1.00 C ATOM 1603 CD PRO A 98 -8.581 -7.176 -34.629 1.00 1.00 C ATOM 0 HA PRO A 98 -10.539 -4.671 -35.170 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -9.983 -6.081 -32.559 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -11.456 -6.116 -33.507 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -9.974 -8.275 -33.475 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -10.585 -7.731 -35.025 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -7.869 -7.201 -33.804 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.233 -7.894 -35.372 1.00 1.00 H new ATOM 1611 N ARG A 99 -10.410 -2.975 -33.428 1.00 1.00 N ATOM 1612 CA ARG A 99 -10.230 -1.742 -32.679 1.00 1.00 C ATOM 1613 C ARG A 99 -10.904 -1.859 -31.323 1.00 1.00 C ATOM 1614 O ARG A 99 -12.037 -2.406 -31.212 1.00 1.00 O ATOM 1615 CB ARG A 99 -10.724 -0.541 -33.451 1.00 1.00 C ATOM 1616 CG ARG A 99 -9.650 0.066 -34.322 1.00 1.00 C ATOM 1617 CD ARG A 99 -10.190 1.210 -35.080 1.00 1.00 C ATOM 1618 NE ARG A 99 -9.164 1.865 -35.895 1.00 1.00 N ATOM 1619 CZ ARG A 99 -9.426 2.846 -36.783 1.00 1.00 C ATOM 1620 NH1 ARG A 99 -10.612 3.430 -36.813 1.00 1.00 N ATOM 1621 NH2 ARG A 99 -8.497 3.220 -37.616 1.00 1.00 N ATOM 0 H ARG A 99 -11.367 -3.127 -33.748 1.00 1.00 H new ATOM 0 HA ARG A 99 -9.163 -1.587 -32.520 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -11.569 -0.835 -34.073 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -11.089 0.211 -32.752 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -8.813 0.393 -33.704 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -9.263 -0.685 -35.011 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -11.000 0.868 -35.724 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -10.618 1.934 -34.387 1.00 1.00 H new ATOM 0 HE ARG A 99 -8.196 1.562 -35.785 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -11.340 3.140 -36.160 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -10.799 4.171 -37.489 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -7.581 2.772 -37.593 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -8.686 3.961 -38.291 1.00 1.00 H new ATOM 1635 N PHE A 100 -10.183 -1.350 -30.296 1.00 1.00 N ATOM 1636 CA PHE A 100 -10.662 -1.395 -28.904 1.00 1.00 C ATOM 1637 C PHE A 100 -10.921 -0.021 -28.389 1.00 1.00 C ATOM 1638 O PHE A 100 -10.060 0.883 -28.536 1.00 1.00 O ATOM 1639 CB PHE A 100 -9.656 -2.143 -28.009 1.00 1.00 C ATOM 1640 CG PHE A 100 -9.413 -3.605 -28.381 1.00 1.00 C ATOM 1641 CD1 PHE A 100 -10.289 -4.594 -27.968 1.00 1.00 C ATOM 1642 CD2 PHE A 100 -8.314 -3.941 -29.160 1.00 1.00 C ATOM 1643 CE1 PHE A 100 -10.076 -5.889 -28.314 1.00 1.00 C ATOM 1644 CE2 PHE A 100 -8.092 -5.243 -29.503 1.00 1.00 C ATOM 1645 CZ PHE A 100 -8.974 -6.221 -29.079 1.00 1.00 C ATOM 0 H PHE A 100 -9.272 -0.906 -30.410 1.00 1.00 H new ATOM 0 HA PHE A 100 -11.604 -1.942 -28.882 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -8.703 -1.614 -28.040 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.010 -2.101 -26.979 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.147 -4.334 -27.367 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.634 -3.171 -29.495 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -10.765 -6.657 -27.993 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -7.233 -5.508 -30.102 1.00 1.00 H new ATOM 0 HZ PHE A 100 -8.800 -7.252 -29.348 1.00 1.00 H new ATOM 1655 N LYS A 101 -12.158 0.172 -27.876 1.00 1.00 N ATOM 1656 CA LYS A 101 -12.591 1.482 -27.336 1.00 1.00 C ATOM 1657 C LYS A 101 -13.443 1.300 -26.095 1.00 1.00 C ATOM 1658 O LYS A 101 -14.102 0.243 -25.935 1.00 1.00 O ATOM 1659 CB LYS A 101 -13.361 2.287 -28.419 1.00 1.00 C ATOM 1660 CG LYS A 101 -12.641 3.555 -28.840 1.00 1.00 C ATOM 1661 CD LYS A 101 -13.628 4.609 -29.290 1.00 1.00 C ATOM 1662 CE LYS A 101 -13.042 6.008 -29.192 1.00 1.00 C ATOM 1663 NZ LYS A 101 -13.439 6.705 -27.933 1.00 1.00 N ATOM 0 H LYS A 101 -12.870 -0.557 -27.825 1.00 1.00 H new ATOM 0 HA LYS A 101 -11.702 2.046 -27.054 1.00 1.00 H new ATOM 0 HB2 LYS A 101 -13.513 1.655 -29.294 1.00 1.00 H new ATOM 0 HB3 LYS A 101 -14.349 2.546 -28.037 1.00 1.00 H new ATOM 0 HG2 LYS A 101 -12.049 3.936 -28.008 1.00 1.00 H new ATOM 0 HG3 LYS A 101 -11.946 3.332 -29.649 1.00 1.00 H new ATOM 0 HD2 LYS A 101 -13.927 4.411 -30.319 1.00 1.00 H new ATOM 0 HD3 LYS A 101 -14.529 4.548 -28.679 1.00 1.00 H new ATOM 0 HE2 LYS A 101 -11.955 5.948 -29.243 1.00 1.00 H new ATOM 0 HE3 LYS A 101 -13.370 6.597 -30.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 101 -13.015 7.654 -27.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 101 -14.475 6.788 -27.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 101 -13.104 6.159 -27.114 1.00 1.00 H new ATOM 1677 N LEU A 102 -13.452 2.352 -25.226 1.00 1.00 N ATOM 1678 CA LEU A 102 -14.246 2.360 -23.996 1.00 1.00 C ATOM 1679 C LEU A 102 -15.254 3.478 -24.049 1.00 1.00 C ATOM 1680 O LEU A 102 -14.904 4.651 -24.369 1.00 1.00 O ATOM 1681 CB LEU A 102 -13.370 2.490 -22.756 1.00 1.00 C ATOM 1682 CG LEU A 102 -12.906 1.176 -22.134 1.00 1.00 C ATOM 1683 CD1 LEU A 102 -11.400 1.021 -22.254 1.00 1.00 C ATOM 1684 CD2 LEU A 102 -13.320 1.117 -20.679 1.00 1.00 C ATOM 0 H LEU A 102 -12.909 3.203 -25.371 1.00 1.00 H new ATOM 0 HA LEU A 102 -14.766 1.405 -23.924 1.00 1.00 H new ATOM 0 HB2 LEU A 102 -12.490 3.079 -23.015 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -13.920 3.053 -22.002 1.00 1.00 H new ATOM 0 HG LEU A 102 -13.378 0.356 -22.675 1.00 1.00 H new ATOM 0 HD11 LEU A 102 -11.094 0.077 -21.803 1.00 1.00 H new ATOM 0 HD12 LEU A 102 -11.116 1.030 -23.306 1.00 1.00 H new ATOM 0 HD13 LEU A 102 -10.907 1.845 -21.739 1.00 1.00 H new ATOM 0 HD21 LEU A 102 -12.985 0.176 -20.243 1.00 1.00 H new ATOM 0 HD22 LEU A 102 -12.868 1.949 -20.138 1.00 1.00 H new ATOM 0 HD23 LEU A 102 -14.406 1.184 -20.607 1.00 1.00 H new ATOM 1696 N GLU A 103 -16.528 3.111 -23.777 1.00 1.00 N ATOM 1697 CA GLU A 103 -17.627 4.079 -23.772 1.00 1.00 C ATOM 1698 C GLU A 103 -18.265 4.118 -22.402 1.00 1.00 C ATOM 1699 O GLU A 103 -18.529 3.053 -21.786 1.00 1.00 O ATOM 1700 CB GLU A 103 -18.653 3.757 -24.868 1.00 1.00 C ATOM 1701 CG GLU A 103 -18.856 4.890 -25.859 1.00 1.00 C ATOM 1702 CD GLU A 103 -19.565 4.515 -27.212 1.00 1.00 C ATOM 1703 OE1 GLU A 103 -20.824 4.621 -27.295 1.00 1.00 O ATOM 1704 OE2 GLU A 103 -18.855 4.184 -28.206 1.00 1.00 O ATOM 0 H GLU A 103 -16.810 2.155 -23.560 1.00 1.00 H new ATOM 0 HA GLU A 103 -17.229 5.069 -23.994 1.00 1.00 H new ATOM 0 HB2 GLU A 103 -18.330 2.867 -25.407 1.00 1.00 H new ATOM 0 HB3 GLU A 103 -19.608 3.517 -24.401 1.00 1.00 H new ATOM 0 HG2 GLU A 103 -19.441 5.670 -25.371 1.00 1.00 H new ATOM 0 HG3 GLU A 103 -17.882 5.320 -26.091 1.00 1.00 H new ATOM 1711 N ARG A 104 -18.553 5.374 -21.938 1.00 1.00 N ATOM 1712 CA ARG A 104 -19.227 5.603 -20.622 1.00 1.00 C ATOM 1713 C ARG A 104 -20.747 5.322 -20.747 1.00 1.00 C ATOM 1714 O ARG A 104 -21.310 5.556 -21.847 1.00 1.00 O ATOM 1715 CB ARG A 104 -19.000 7.016 -20.157 1.00 1.00 C ATOM 1716 CG ARG A 104 -17.819 7.179 -19.235 1.00 1.00 C ATOM 1717 CD ARG A 104 -17.642 8.612 -18.894 1.00 1.00 C ATOM 1718 NE ARG A 104 -16.649 9.275 -19.751 1.00 1.00 N ATOM 1719 CZ ARG A 104 -16.350 10.580 -19.677 1.00 1.00 C ATOM 1720 NH1 ARG A 104 -16.755 11.309 -18.646 1.00 1.00 N ATOM 1721 NH2 ARG A 104 -15.635 11.119 -20.617 1.00 1.00 N ATOM 0 H ARG A 104 -18.332 6.229 -22.448 1.00 1.00 H new ATOM 0 HA ARG A 104 -18.800 4.921 -19.887 1.00 1.00 H new ATOM 0 HB2 ARG A 104 -18.858 7.655 -21.028 1.00 1.00 H new ATOM 0 HB3 ARG A 104 -19.897 7.368 -19.647 1.00 1.00 H new ATOM 0 HG2 ARG A 104 -17.972 6.596 -18.327 1.00 1.00 H new ATOM 0 HG3 ARG A 104 -16.917 6.795 -19.713 1.00 1.00 H new ATOM 0 HD2 ARG A 104 -18.599 9.125 -18.988 1.00 1.00 H new ATOM 0 HD3 ARG A 104 -17.334 8.699 -17.852 1.00 1.00 H new ATOM 0 HE ARG A 104 -16.158 8.709 -20.443 1.00 1.00 H new ATOM 0 HH11 ARG A 104 -17.300 10.878 -17.899 1.00 1.00 H new ATOM 0 HH12 ARG A 104 -16.522 12.301 -18.600 1.00 1.00 H new ATOM 0 HH21 ARG A 104 -15.308 10.551 -21.399 1.00 1.00 H new ATOM 0 HH22 ARG A 104 -15.400 12.111 -20.574 1.00 1.00 H new ATOM 1735 N LYS A 105 -21.439 4.782 -19.600 1.00 1.00 N ATOM 1736 CA LYS A 105 -22.967 4.493 -19.490 1.00 1.00 C ATOM 1737 C LYS A 105 -23.673 5.481 -18.425 1.00 1.00 C ATOM 1738 O LYS A 105 -23.361 5.443 -17.191 1.00 1.00 O ATOM 1739 CB LYS A 105 -23.288 2.929 -19.190 1.00 1.00 C ATOM 1740 CG LYS A 105 -24.108 2.143 -20.297 1.00 1.00 C ATOM 1741 CD LYS A 105 -24.519 0.705 -19.863 1.00 1.00 C ATOM 1742 CE LYS A 105 -25.316 -0.052 -20.952 1.00 1.00 C ATOM 1743 NZ LYS A 105 -25.706 -1.427 -20.514 1.00 1.00 N ATOM 1744 OXT LYS A 105 -24.511 6.309 -18.872 1.00 1.00 O ATOM 0 H LYS A 105 -20.941 4.543 -18.743 1.00 1.00 H new ATOM 0 HA LYS A 105 -23.403 4.702 -20.467 1.00 1.00 H new ATOM 0 HB2 LYS A 105 -22.341 2.411 -19.037 1.00 1.00 H new ATOM 0 HB3 LYS A 105 -23.840 2.869 -18.252 1.00 1.00 H new ATOM 0 HG2 LYS A 105 -25.006 2.710 -20.543 1.00 1.00 H new ATOM 0 HG3 LYS A 105 -23.510 2.082 -21.206 1.00 1.00 H new ATOM 0 HD2 LYS A 105 -23.623 0.136 -19.616 1.00 1.00 H new ATOM 0 HD3 LYS A 105 -25.120 0.763 -18.956 1.00 1.00 H new ATOM 0 HE2 LYS A 105 -26.212 0.515 -21.204 1.00 1.00 H new ATOM 0 HE3 LYS A 105 -24.715 -0.118 -21.859 1.00 1.00 H new ATOM 0 HZ1 LYS A 105 -26.238 -1.896 -21.275 1.00 1.00 H new ATOM 0 HZ2 LYS A 105 -24.851 -1.978 -20.298 1.00 1.00 H new ATOM 0 HZ3 LYS A 105 -26.301 -1.365 -19.664 1.00 1.00 H new