USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 46 GLN : amide:sc=-0.00977 X(o=-0.19,f=-0.55) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -119:sc= -0.183 (180deg=-0.109) USER MOD Set 2.1: A 35 LYS NZ :NH3+ 163:sc= -0.14 (180deg=-0.947) USER MOD Set 2.2: A 39 SER OG : rot 136:sc= 1.58 USER MOD Single : A 10 GLN : amide:sc= 1.18 K(o=1.2,f=-0.53) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 160:sc= -0.0716 (180deg=-0.4) USER MOD Single : A 26 ASN : amide:sc= -0.0781 X(o=-0.078,f=-0.02) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.275 K(o=-0.28,f=-0.95) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.0271 (180deg=-0.248) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -120:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0915 USER MOD Single : A 47 GLN : amide:sc= -1.66! C(o=-1.7!,f=-6.8!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 1.1 (180deg=-0.0686) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= 2.18 (180deg=1.82) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.032 10.732 6.555 1.00 0.00 N ATOM 118 CA ARG A 9 7.285 10.525 5.863 1.00 0.00 C ATOM 119 C ARG A 9 7.354 9.090 5.386 1.00 0.00 C ATOM 120 O ARG A 9 7.768 8.818 4.272 1.00 0.00 O ATOM 121 CB ARG A 9 8.472 10.834 6.780 1.00 0.00 C ATOM 122 CG ARG A 9 8.618 12.304 7.131 1.00 0.00 C ATOM 123 CD ARG A 9 9.769 12.535 8.100 1.00 0.00 C ATOM 124 NE ARG A 9 11.045 12.030 7.577 1.00 0.00 N ATOM 125 CZ ARG A 9 12.229 12.608 7.789 1.00 0.00 C ATOM 126 NH1 ARG A 9 12.312 13.724 8.504 1.00 0.00 N ATOM 127 NH2 ARG A 9 13.329 12.060 7.288 1.00 0.00 N ATOM 0 HA ARG A 9 7.336 11.201 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.365 10.261 7.701 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.388 10.494 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.785 12.881 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.690 12.667 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.860 13.601 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.547 12.045 9.048 1.00 0.00 H new ATOM 0 HE ARG A 9 11.025 11.180 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.468 14.144 8.894 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.220 14.162 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.268 11.200 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.236 12.499 7.448 1.00 0.00 H new ATOM 141 N GLN A 10 6.898 8.182 6.243 1.00 0.00 N ATOM 142 CA GLN A 10 6.885 6.750 5.954 1.00 0.00 C ATOM 143 C GLN A 10 6.139 6.456 4.656 1.00 0.00 C ATOM 144 O GLN A 10 6.656 5.787 3.770 1.00 0.00 O ATOM 145 CB GLN A 10 6.218 6.000 7.111 1.00 0.00 C ATOM 146 CG GLN A 10 6.133 4.492 6.921 1.00 0.00 C ATOM 147 CD GLN A 10 5.319 3.817 8.009 1.00 0.00 C ATOM 148 OE1 GLN A 10 5.260 4.292 9.147 1.00 0.00 O ATOM 149 NE2 GLN A 10 4.693 2.704 7.678 1.00 0.00 N ATOM 0 H GLN A 10 6.525 8.419 7.162 1.00 0.00 H new ATOM 0 HA GLN A 10 7.916 6.415 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.770 6.207 8.028 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.211 6.393 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.687 4.275 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.139 4.073 6.911 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.765 2.342 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.137 2.206 8.373 1.00 0.00 H new ATOM 158 N VAL A 11 4.933 6.987 4.548 1.00 0.00 N ATOM 159 CA VAL A 11 4.086 6.747 3.388 1.00 0.00 C ATOM 160 C VAL A 11 4.671 7.355 2.106 1.00 0.00 C ATOM 161 O VAL A 11 4.818 6.669 1.102 1.00 0.00 O ATOM 162 CB VAL A 11 2.654 7.294 3.619 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.789 7.107 2.382 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.011 6.612 4.820 1.00 0.00 C ATOM 0 H VAL A 11 4.514 7.592 5.255 1.00 0.00 H new ATOM 0 HA VAL A 11 4.040 5.666 3.258 1.00 0.00 H new ATOM 0 HB VAL A 11 2.732 8.362 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.790 7.500 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.234 7.641 1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.722 6.046 2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.006 7.008 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.956 5.538 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.611 6.802 5.710 1.00 0.00 H new ATOM 174 N CYS A 12 5.024 8.628 2.154 1.00 0.00 N ATOM 175 CA CYS A 12 5.517 9.323 0.965 1.00 0.00 C ATOM 176 C CYS A 12 6.895 8.794 0.528 1.00 0.00 C ATOM 177 O CYS A 12 7.121 8.513 -0.662 1.00 0.00 O ATOM 178 CB CYS A 12 5.572 10.832 1.214 1.00 0.00 C ATOM 179 SG CYS A 12 5.725 11.838 -0.299 1.00 0.00 S ATOM 0 H CYS A 12 4.981 9.203 2.995 1.00 0.00 H new ATOM 0 HA CYS A 12 4.818 9.126 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.670 11.133 1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.416 11.050 1.868 1.00 0.00 H new ATOM 184 N TRP A 13 7.804 8.647 1.487 1.00 0.00 N ATOM 185 CA TRP A 13 9.147 8.147 1.208 1.00 0.00 C ATOM 186 C TRP A 13 9.079 6.699 0.752 1.00 0.00 C ATOM 187 O TRP A 13 9.740 6.306 -0.222 1.00 0.00 O ATOM 188 CB TRP A 13 10.026 8.288 2.459 1.00 0.00 C ATOM 189 CG TRP A 13 11.395 7.691 2.340 1.00 0.00 C ATOM 190 CD1 TRP A 13 12.427 8.144 1.574 1.00 0.00 C ATOM 191 CD2 TRP A 13 11.886 6.539 3.036 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.528 7.342 1.746 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.221 6.347 2.638 1.00 0.00 C ATOM 194 CE3 TRP A 13 11.323 5.649 3.955 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.002 5.306 3.129 1.00 0.00 C ATOM 196 CZ3 TRP A 13 12.099 4.615 4.441 1.00 0.00 C ATOM 197 CH2 TRP A 13 13.426 4.453 4.029 1.00 0.00 C ATOM 0 H TRP A 13 7.634 8.868 2.468 1.00 0.00 H new ATOM 0 HA TRP A 13 9.592 8.736 0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.127 9.347 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.514 7.820 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 13 12.385 9.007 0.927 1.00 0.00 H new ATOM 0 HE1 TRP A 13 14.429 7.466 1.285 1.00 0.00 H new ATOM 0 HE3 TRP A 13 10.300 5.768 4.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.026 5.176 2.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 11.674 3.920 5.151 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.008 3.637 4.430 1.00 0.00 H new ATOM 208 N GLY A 14 8.258 5.915 1.444 1.00 0.00 N ATOM 209 CA GLY A 14 8.081 4.529 1.096 1.00 0.00 C ATOM 210 C GLY A 14 7.543 4.370 -0.303 1.00 0.00 C ATOM 211 O GLY A 14 8.050 3.570 -1.070 1.00 0.00 O ATOM 0 H GLY A 14 7.710 6.225 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.035 4.008 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.398 4.060 1.804 1.00 0.00 H new ATOM 215 N ALA A 15 6.531 5.169 -0.641 1.00 0.00 N ATOM 216 CA ALA A 15 5.918 5.139 -1.969 1.00 0.00 C ATOM 217 C ALA A 15 6.959 5.366 -3.051 1.00 0.00 C ATOM 218 O ALA A 15 6.937 4.718 -4.104 1.00 0.00 O ATOM 219 CB ALA A 15 4.835 6.200 -2.068 1.00 0.00 C ATOM 0 H ALA A 15 6.115 5.851 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 15 5.474 4.155 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.385 6.169 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.069 6.009 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.273 7.184 -1.898 1.00 0.00 H new ATOM 225 N ARG A 16 7.877 6.281 -2.785 1.00 0.00 N ATOM 226 CA ARG A 16 8.931 6.594 -3.730 1.00 0.00 C ATOM 227 C ARG A 16 9.825 5.378 -3.955 1.00 0.00 C ATOM 228 O ARG A 16 10.230 5.099 -5.078 1.00 0.00 O ATOM 229 CB ARG A 16 9.739 7.791 -3.244 1.00 0.00 C ATOM 230 CG ARG A 16 10.786 8.279 -4.233 1.00 0.00 C ATOM 231 CD ARG A 16 11.322 9.641 -3.831 1.00 0.00 C ATOM 232 NE ARG A 16 10.241 10.624 -3.698 1.00 0.00 N ATOM 233 CZ ARG A 16 10.331 11.914 -4.025 1.00 0.00 C ATOM 234 NH1 ARG A 16 11.464 12.412 -4.501 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.279 12.702 -3.869 1.00 0.00 N ATOM 0 H ARG A 16 7.912 6.820 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 16 8.479 6.858 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.056 8.610 -3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.234 7.526 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.606 7.562 -4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.350 8.336 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.859 9.558 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.040 9.986 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 16 9.350 10.295 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.277 11.807 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.523 13.400 -4.748 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.407 12.322 -3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.340 13.690 -4.117 1.00 0.00 H new ATOM 249 N ASP A 17 10.114 4.645 -2.885 1.00 0.00 N ATOM 250 CA ASP A 17 10.913 3.426 -3.001 1.00 0.00 C ATOM 251 C ASP A 17 10.092 2.302 -3.601 1.00 0.00 C ATOM 252 O ASP A 17 10.626 1.412 -4.278 1.00 0.00 O ATOM 253 CB ASP A 17 11.488 2.995 -1.657 1.00 0.00 C ATOM 254 CG ASP A 17 12.791 3.686 -1.343 1.00 0.00 C ATOM 255 OD1 ASP A 17 12.833 4.485 -0.387 1.00 0.00 O ATOM 256 OD2 ASP A 17 13.789 3.429 -2.048 1.00 0.00 O ATOM 0 H ASP A 17 9.812 4.868 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 17 11.748 3.650 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.766 3.211 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.643 1.916 -1.660 1.00 0.00 H new ATOM 261 N GLU A 18 8.791 2.343 -3.349 1.00 0.00 N ATOM 262 CA GLU A 18 7.868 1.362 -3.884 1.00 0.00 C ATOM 263 C GLU A 18 7.757 1.468 -5.387 1.00 0.00 C ATOM 264 O GLU A 18 7.293 0.535 -6.049 1.00 0.00 O ATOM 265 CB GLU A 18 6.497 1.465 -3.234 1.00 0.00 C ATOM 266 CG GLU A 18 6.489 1.026 -1.790 1.00 0.00 C ATOM 267 CD GLU A 18 5.113 0.662 -1.298 1.00 0.00 C ATOM 268 OE1 GLU A 18 4.257 0.292 -2.142 1.00 0.00 O ATOM 269 OE2 GLU A 18 4.897 0.696 -0.072 1.00 0.00 O ATOM 0 H GLU A 18 8.350 3.057 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 18 8.276 0.380 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.150 2.496 -3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.789 0.856 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.151 0.168 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.892 1.827 -1.169 1.00 0.00 H new ATOM 276 N TYR A 19 8.139 2.620 -5.925 1.00 0.00 N ATOM 277 CA TYR A 19 8.182 2.808 -7.365 1.00 0.00 C ATOM 278 C TYR A 19 9.051 1.715 -7.999 1.00 0.00 C ATOM 279 O TYR A 19 8.735 1.197 -9.071 1.00 0.00 O ATOM 280 CB TYR A 19 8.723 4.199 -7.713 1.00 0.00 C ATOM 281 CG TYR A 19 8.833 4.458 -9.199 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.698 4.645 -9.977 1.00 0.00 C ATOM 283 CD2 TYR A 19 10.073 4.513 -9.821 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.797 4.877 -11.335 1.00 0.00 C ATOM 285 CE2 TYR A 19 10.179 4.746 -11.176 1.00 0.00 C ATOM 286 CZ TYR A 19 9.038 4.927 -11.929 1.00 0.00 C ATOM 287 OH TYR A 19 9.141 5.152 -13.285 1.00 0.00 O ATOM 0 H TYR A 19 8.423 3.436 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 19 7.170 2.734 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.072 4.953 -7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.707 4.320 -7.259 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.723 4.608 -9.513 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.969 4.371 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.905 5.018 -11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 19 11.151 4.787 -11.645 1.00 0.00 H new ATOM 0 HH TYR A 19 10.086 5.159 -13.545 1.00 0.00 H new ATOM 297 N TRP A 20 10.147 1.378 -7.328 1.00 0.00 N ATOM 298 CA TRP A 20 11.008 0.294 -7.768 1.00 0.00 C ATOM 299 C TRP A 20 10.445 -1.051 -7.310 1.00 0.00 C ATOM 300 O TRP A 20 10.123 -1.911 -8.123 1.00 0.00 O ATOM 301 CB TRP A 20 12.435 0.474 -7.242 1.00 0.00 C ATOM 302 CG TRP A 20 13.134 1.678 -7.795 1.00 0.00 C ATOM 303 CD1 TRP A 20 13.676 1.812 -9.040 1.00 0.00 C ATOM 304 CD2 TRP A 20 13.380 2.913 -7.117 1.00 0.00 C ATOM 305 NE1 TRP A 20 14.236 3.057 -9.179 1.00 0.00 N ATOM 306 CE2 TRP A 20 14.069 3.753 -8.011 1.00 0.00 C ATOM 307 CE3 TRP A 20 13.080 3.390 -5.843 1.00 0.00 C ATOM 308 CZ2 TRP A 20 14.463 5.042 -7.668 1.00 0.00 C ATOM 309 CZ3 TRP A 20 13.471 4.671 -5.502 1.00 0.00 C ATOM 310 CH2 TRP A 20 14.156 5.484 -6.412 1.00 0.00 C ATOM 0 H TRP A 20 10.458 1.843 -6.475 1.00 0.00 H new ATOM 0 HA TRP A 20 11.042 0.313 -8.857 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.405 0.550 -6.155 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.017 -0.416 -7.484 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.666 1.049 -9.805 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.701 3.407 -10.016 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.551 2.770 -5.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.992 5.671 -8.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.244 5.051 -4.517 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.448 6.481 -6.116 1.00 0.00 H new ATOM 321 N LYS A 21 10.318 -1.217 -5.997 1.00 0.00 N ATOM 322 CA LYS A 21 9.798 -2.456 -5.425 1.00 0.00 C ATOM 323 C LYS A 21 8.462 -2.183 -4.755 1.00 0.00 C ATOM 324 O LYS A 21 8.411 -1.510 -3.733 1.00 0.00 O ATOM 325 CB LYS A 21 10.777 -3.025 -4.392 1.00 0.00 C ATOM 326 CG LYS A 21 12.219 -3.100 -4.867 1.00 0.00 C ATOM 327 CD LYS A 21 13.120 -3.681 -3.789 1.00 0.00 C ATOM 328 CE LYS A 21 14.593 -3.492 -4.123 1.00 0.00 C ATOM 329 NZ LYS A 21 14.975 -2.055 -4.148 1.00 0.00 N ATOM 0 H LYS A 21 10.568 -0.508 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 21 9.670 -3.184 -6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.735 -2.410 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.448 -4.025 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.278 -3.715 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.568 -2.104 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.899 -3.204 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.907 -4.743 -3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.202 -4.017 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.806 -3.941 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.006 -1.968 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.686 -1.635 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.501 -1.556 -3.368 1.00 0.00 H new ATOM 343 N CYS A 22 7.386 -2.699 -5.328 1.00 0.00 N ATOM 344 CA CYS A 22 6.053 -2.438 -4.800 1.00 0.00 C ATOM 345 C CYS A 22 5.872 -3.032 -3.401 1.00 0.00 C ATOM 346 O CYS A 22 6.376 -4.124 -3.108 1.00 0.00 O ATOM 347 CB CYS A 22 4.988 -2.988 -5.754 1.00 0.00 C ATOM 348 SG CYS A 22 5.099 -4.784 -6.065 1.00 0.00 S ATOM 0 H CYS A 22 7.407 -3.298 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 22 5.935 -1.358 -4.717 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.003 -2.764 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.066 -2.462 -6.706 1.00 0.00 H new ATOM 353 N LEU A 23 5.130 -2.304 -2.551 1.00 0.00 N ATOM 354 CA LEU A 23 4.864 -2.705 -1.172 1.00 0.00 C ATOM 355 C LEU A 23 6.138 -3.043 -0.428 1.00 0.00 C ATOM 356 O LEU A 23 6.227 -4.058 0.277 1.00 0.00 O ATOM 357 CB LEU A 23 3.838 -3.828 -1.107 1.00 0.00 C ATOM 358 CG LEU A 23 2.400 -3.379 -1.375 1.00 0.00 C ATOM 359 CD1 LEU A 23 1.442 -4.549 -1.304 1.00 0.00 C ATOM 360 CD2 LEU A 23 1.993 -2.294 -0.385 1.00 0.00 C ATOM 0 H LEU A 23 4.698 -1.417 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 23 4.427 -1.848 -0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.109 -4.595 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.885 -4.291 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 23 2.354 -2.969 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.428 -4.201 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.720 -5.293 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.488 -4.997 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.968 -1.983 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.061 -2.684 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.659 -1.437 -0.490 1.00 0.00 H new ATOM 372 N ASP A 24 7.100 -2.145 -0.567 1.00 0.00 N ATOM 373 CA ASP A 24 8.417 -2.250 0.050 1.00 0.00 C ATOM 374 C ASP A 24 8.311 -2.260 1.584 1.00 0.00 C ATOM 375 O ASP A 24 9.258 -2.624 2.280 1.00 0.00 O ATOM 376 CB ASP A 24 9.297 -1.083 -0.428 1.00 0.00 C ATOM 377 CG ASP A 24 10.742 -1.192 0.009 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.535 -1.847 -0.695 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.105 -0.597 1.039 1.00 0.00 O ATOM 0 H ASP A 24 6.986 -1.300 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 24 8.874 -3.192 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.259 -1.033 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.882 -0.148 -0.051 1.00 0.00 H new ATOM 384 N GLU A 25 7.148 -1.846 2.092 1.00 0.00 N ATOM 385 CA GLU A 25 6.883 -1.822 3.529 1.00 0.00 C ATOM 386 C GLU A 25 7.203 -3.160 4.192 1.00 0.00 C ATOM 387 O GLU A 25 8.073 -3.239 5.058 1.00 0.00 O ATOM 388 CB GLU A 25 5.412 -1.491 3.774 1.00 0.00 C ATOM 389 CG GLU A 25 5.053 -0.047 3.528 1.00 0.00 C ATOM 390 CD GLU A 25 5.779 0.889 4.475 1.00 0.00 C ATOM 391 OE1 GLU A 25 6.844 1.424 4.091 1.00 0.00 O ATOM 392 OE2 GLU A 25 5.305 1.071 5.616 1.00 0.00 O ATOM 0 H GLU A 25 6.368 -1.520 1.521 1.00 0.00 H new ATOM 0 HA GLU A 25 7.528 -1.060 3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.798 -2.121 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.161 -1.746 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.298 0.217 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.977 0.084 3.643 1.00 0.00 H new ATOM 399 N ASN A 26 6.506 -4.211 3.778 1.00 0.00 N ATOM 400 CA ASN A 26 6.729 -5.540 4.371 1.00 0.00 C ATOM 401 C ASN A 26 6.821 -6.636 3.316 1.00 0.00 C ATOM 402 O ASN A 26 7.339 -7.718 3.585 1.00 0.00 O ATOM 403 CB ASN A 26 5.615 -5.880 5.372 1.00 0.00 C ATOM 404 CG ASN A 26 5.531 -4.892 6.518 1.00 0.00 C ATOM 405 OD1 ASN A 26 6.169 -5.067 7.550 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.735 -3.851 6.343 1.00 0.00 N ATOM 0 H ASN A 26 5.793 -4.180 3.049 1.00 0.00 H new ATOM 0 HA ASN A 26 7.686 -5.496 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.659 -5.905 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.785 -6.879 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.634 -3.156 7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.222 -3.743 5.468 1.00 0.00 H new ATOM 413 N LEU A 27 6.305 -6.353 2.113 1.00 0.00 N ATOM 414 CA LEU A 27 6.301 -7.322 0.997 1.00 0.00 C ATOM 415 C LEU A 27 5.555 -8.610 1.356 1.00 0.00 C ATOM 416 O LEU A 27 5.728 -9.636 0.703 1.00 0.00 O ATOM 417 CB LEU A 27 7.733 -7.651 0.520 1.00 0.00 C ATOM 418 CG LEU A 27 8.547 -6.489 -0.069 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.125 -5.611 1.029 1.00 0.00 C ATOM 420 CD2 LEU A 27 9.649 -7.011 -0.973 1.00 0.00 C ATOM 0 H LEU A 27 5.881 -5.455 1.882 1.00 0.00 H new ATOM 0 HA LEU A 27 5.768 -6.842 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.287 -8.061 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.669 -8.437 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 27 7.872 -5.877 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.696 -4.797 0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.314 -5.198 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.780 -6.207 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.214 -6.172 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.317 -7.654 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.209 -7.583 -1.790 1.00 0.00 H new ATOM 432 N GLU A 28 4.717 -8.537 2.389 1.00 0.00 N ATOM 433 CA GLU A 28 3.929 -9.679 2.835 1.00 0.00 C ATOM 434 C GLU A 28 3.086 -10.243 1.693 1.00 0.00 C ATOM 435 O GLU A 28 3.034 -11.452 1.487 1.00 0.00 O ATOM 436 CB GLU A 28 3.037 -9.271 4.016 1.00 0.00 C ATOM 437 CG GLU A 28 2.157 -10.386 4.559 1.00 0.00 C ATOM 438 CD GLU A 28 2.940 -11.635 4.889 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.963 -11.532 5.599 1.00 0.00 O ATOM 440 OE2 GLU A 28 2.536 -12.728 4.439 1.00 0.00 O ATOM 0 H GLU A 28 4.567 -7.689 2.936 1.00 0.00 H new ATOM 0 HA GLU A 28 4.612 -10.463 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.671 -8.901 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.401 -8.443 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.644 -10.036 5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.388 -10.627 3.825 1.00 0.00 H new ATOM 447 N ASP A 29 2.455 -9.365 0.944 1.00 0.00 N ATOM 448 CA ASP A 29 1.675 -9.783 -0.197 1.00 0.00 C ATOM 449 C ASP A 29 1.950 -8.896 -1.374 1.00 0.00 C ATOM 450 O ASP A 29 1.261 -7.901 -1.601 1.00 0.00 O ATOM 451 CB ASP A 29 0.192 -9.795 0.104 1.00 0.00 C ATOM 452 CG ASP A 29 -0.606 -10.460 -1.002 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.812 -11.691 -0.927 1.00 0.00 O ATOM 454 OD2 ASP A 29 -1.029 -9.765 -1.944 1.00 0.00 O ATOM 0 H ASP A 29 2.468 -8.358 1.106 1.00 0.00 H new ATOM 0 HA ASP A 29 1.975 -10.804 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.017 -10.319 1.043 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.159 -8.772 0.240 1.00 0.00 H new ATOM 459 N ALA A 30 2.997 -9.215 -2.083 1.00 0.00 N ATOM 460 CA ALA A 30 3.356 -8.481 -3.268 1.00 0.00 C ATOM 461 C ALA A 30 2.364 -8.757 -4.405 1.00 0.00 C ATOM 462 O ALA A 30 2.349 -8.060 -5.409 1.00 0.00 O ATOM 463 CB ALA A 30 4.776 -8.810 -3.692 1.00 0.00 C ATOM 0 H ALA A 30 3.624 -9.987 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 30 3.310 -7.417 -3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.028 -8.245 -4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.466 -8.545 -2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.855 -9.877 -3.901 1.00 0.00 H new ATOM 469 N SER A 31 1.533 -9.775 -4.225 1.00 0.00 N ATOM 470 CA SER A 31 0.559 -10.162 -5.233 1.00 0.00 C ATOM 471 C SER A 31 -0.460 -9.041 -5.476 1.00 0.00 C ATOM 472 O SER A 31 -0.841 -8.772 -6.616 1.00 0.00 O ATOM 473 CB SER A 31 -0.154 -11.454 -4.808 1.00 0.00 C ATOM 474 OG SER A 31 -0.957 -11.974 -5.860 1.00 0.00 O ATOM 0 H SER A 31 1.516 -10.351 -3.383 1.00 0.00 H new ATOM 0 HA SER A 31 1.088 -10.341 -6.169 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.585 -12.198 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.777 -11.257 -3.936 1.00 0.00 H new ATOM 0 HG SER A 31 -1.397 -12.797 -5.560 1.00 0.00 H new ATOM 480 N GLN A 32 -0.884 -8.388 -4.409 1.00 0.00 N ATOM 481 CA GLN A 32 -1.861 -7.309 -4.506 1.00 0.00 C ATOM 482 C GLN A 32 -1.162 -5.945 -4.561 1.00 0.00 C ATOM 483 O GLN A 32 -1.818 -4.886 -4.558 1.00 0.00 O ATOM 484 CB GLN A 32 -2.834 -7.367 -3.322 1.00 0.00 C ATOM 485 CG GLN A 32 -4.169 -6.677 -3.577 1.00 0.00 C ATOM 486 CD GLN A 32 -4.938 -7.306 -4.727 1.00 0.00 C ATOM 487 OE1 GLN A 32 -4.806 -8.500 -4.997 1.00 0.00 O ATOM 488 NE2 GLN A 32 -5.749 -6.519 -5.401 1.00 0.00 N ATOM 0 H GLN A 32 -0.568 -8.584 -3.459 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.426 -7.438 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.020 -8.411 -3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.360 -6.908 -2.454 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.775 -6.720 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.994 -5.623 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.832 -5.534 -5.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.295 -6.893 -6.177 1.00 0.00 H new ATOM 497 N CYS A 33 0.172 -5.970 -4.612 1.00 0.00 N ATOM 498 CA CYS A 33 0.961 -4.741 -4.589 1.00 0.00 C ATOM 499 C CYS A 33 0.594 -3.801 -5.723 1.00 0.00 C ATOM 500 O CYS A 33 0.764 -2.608 -5.598 1.00 0.00 O ATOM 501 CB CYS A 33 2.466 -5.028 -4.607 1.00 0.00 C ATOM 502 SG CYS A 33 3.168 -5.362 -6.253 1.00 0.00 S ATOM 0 H CYS A 33 0.725 -6.825 -4.669 1.00 0.00 H new ATOM 0 HA CYS A 33 0.718 -4.244 -3.650 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.988 -4.175 -4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.665 -5.885 -3.964 1.00 0.00 H new ATOM 507 N LYS A 34 0.089 -4.344 -6.831 1.00 0.00 N ATOM 508 CA LYS A 34 -0.338 -3.517 -7.954 1.00 0.00 C ATOM 509 C LYS A 34 -1.332 -2.459 -7.477 1.00 0.00 C ATOM 510 O LYS A 34 -1.194 -1.277 -7.778 1.00 0.00 O ATOM 511 CB LYS A 34 -0.986 -4.379 -9.040 1.00 0.00 C ATOM 512 CG LYS A 34 -1.432 -3.589 -10.256 1.00 0.00 C ATOM 513 CD LYS A 34 -2.229 -4.450 -11.218 1.00 0.00 C ATOM 514 CE LYS A 34 -2.653 -3.661 -12.446 1.00 0.00 C ATOM 515 NZ LYS A 34 -3.483 -2.479 -12.095 1.00 0.00 N ATOM 0 H LYS A 34 -0.033 -5.347 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 34 0.540 -3.025 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.278 -5.145 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.847 -4.895 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.038 -2.741 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.559 -3.183 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.630 -5.308 -11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.112 -4.842 -10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.767 -3.332 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.215 -4.311 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.916 -2.090 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.231 -2.765 -11.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.884 -1.754 -11.651 1.00 0.00 H new ATOM 529 N LYS A 35 -2.308 -2.902 -6.701 1.00 0.00 N ATOM 530 CA LYS A 35 -3.340 -2.025 -6.181 1.00 0.00 C ATOM 531 C LYS A 35 -2.786 -1.089 -5.114 1.00 0.00 C ATOM 532 O LYS A 35 -2.927 0.131 -5.212 1.00 0.00 O ATOM 533 CB LYS A 35 -4.497 -2.853 -5.600 1.00 0.00 C ATOM 534 CG LYS A 35 -5.502 -2.044 -4.784 1.00 0.00 C ATOM 535 CD LYS A 35 -6.209 -1.000 -5.632 1.00 0.00 C ATOM 536 CE LYS A 35 -7.104 -0.111 -4.783 1.00 0.00 C ATOM 537 NZ LYS A 35 -6.325 0.672 -3.783 1.00 0.00 N ATOM 0 H LYS A 35 -2.406 -3.876 -6.416 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.710 -1.418 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.023 -3.344 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.084 -3.640 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.240 -2.717 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.988 -1.553 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.470 -0.388 -6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.806 -1.495 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.655 0.572 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.842 -0.726 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.906 1.459 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.059 0.055 -2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.466 1.050 -4.231 1.00 0.00 H new ATOM 551 N LEU A 36 -2.152 -1.662 -4.101 1.00 0.00 N ATOM 552 CA LEU A 36 -1.645 -0.872 -2.984 1.00 0.00 C ATOM 553 C LEU A 36 -0.574 0.134 -3.422 1.00 0.00 C ATOM 554 O LEU A 36 -0.570 1.275 -2.968 1.00 0.00 O ATOM 555 CB LEU A 36 -1.124 -1.772 -1.855 1.00 0.00 C ATOM 556 CG LEU A 36 -2.191 -2.534 -1.039 1.00 0.00 C ATOM 557 CD1 LEU A 36 -2.877 -3.601 -1.861 1.00 0.00 C ATOM 558 CD2 LEU A 36 -1.587 -3.128 0.214 1.00 0.00 C ATOM 0 H LEU A 36 -1.976 -2.664 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.487 -0.297 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.439 -2.501 -2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.543 -1.157 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.952 -1.810 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.619 -4.112 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.369 -3.140 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.138 -4.322 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.357 -3.660 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.792 -3.822 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.175 -2.331 0.833 1.00 0.00 H new ATOM 570 N ARG A 37 0.312 -0.280 -4.319 1.00 0.00 N ATOM 571 CA ARG A 37 1.369 0.603 -4.814 1.00 0.00 C ATOM 572 C ARG A 37 0.749 1.729 -5.612 1.00 0.00 C ATOM 573 O ARG A 37 1.170 2.879 -5.517 1.00 0.00 O ATOM 574 CB ARG A 37 2.347 -0.169 -5.693 1.00 0.00 C ATOM 575 CG ARG A 37 3.795 0.256 -5.546 1.00 0.00 C ATOM 576 CD ARG A 37 4.063 1.654 -6.086 1.00 0.00 C ATOM 577 NE ARG A 37 3.734 1.768 -7.508 1.00 0.00 N ATOM 578 CZ ARG A 37 4.536 1.407 -8.515 1.00 0.00 C ATOM 579 NH1 ARG A 37 5.727 0.864 -8.279 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.140 1.593 -9.759 1.00 0.00 N ATOM 0 H ARG A 37 0.323 -1.218 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 37 1.915 1.009 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.267 -1.230 -5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.051 -0.050 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.073 0.220 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.432 -0.458 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.478 2.379 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.113 1.905 -5.936 1.00 0.00 H new ATOM 0 HE ARG A 37 2.821 2.153 -7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.040 0.718 -7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.328 0.594 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.228 2.009 -9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.746 1.320 -10.533 1.00 0.00 H new ATOM 594 N SER A 38 -0.252 1.383 -6.402 1.00 0.00 N ATOM 595 CA SER A 38 -1.000 2.361 -7.181 1.00 0.00 C ATOM 596 C SER A 38 -1.597 3.422 -6.256 1.00 0.00 C ATOM 597 O SER A 38 -1.752 4.586 -6.639 1.00 0.00 O ATOM 598 CB SER A 38 -2.113 1.668 -7.974 1.00 0.00 C ATOM 599 OG SER A 38 -2.830 2.594 -8.781 1.00 0.00 O ATOM 0 H SER A 38 -0.570 0.422 -6.523 1.00 0.00 H new ATOM 0 HA SER A 38 -0.320 2.845 -7.882 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.682 0.891 -8.605 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.800 1.175 -7.286 1.00 0.00 H new ATOM 0 HG SER A 38 -3.532 2.122 -9.276 1.00 0.00 H new ATOM 605 N SER A 39 -1.928 3.008 -5.044 1.00 0.00 N ATOM 606 CA SER A 39 -2.472 3.902 -4.048 1.00 0.00 C ATOM 607 C SER A 39 -1.379 4.806 -3.472 1.00 0.00 C ATOM 608 O SER A 39 -1.612 5.977 -3.209 1.00 0.00 O ATOM 609 CB SER A 39 -3.124 3.093 -2.937 1.00 0.00 C ATOM 610 OG SER A 39 -4.070 2.179 -3.462 1.00 0.00 O ATOM 0 H SER A 39 -1.826 2.044 -4.728 1.00 0.00 H new ATOM 0 HA SER A 39 -3.222 4.537 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.359 2.551 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.614 3.765 -2.233 1.00 0.00 H new ATOM 0 HG SER A 39 -3.967 1.311 -3.018 1.00 0.00 H new ATOM 616 N PHE A 40 -0.190 4.249 -3.288 1.00 0.00 N ATOM 617 CA PHE A 40 0.946 4.992 -2.757 1.00 0.00 C ATOM 618 C PHE A 40 1.453 6.028 -3.759 1.00 0.00 C ATOM 619 O PHE A 40 1.729 7.171 -3.409 1.00 0.00 O ATOM 620 CB PHE A 40 2.082 4.031 -2.419 1.00 0.00 C ATOM 621 CG PHE A 40 1.998 3.395 -1.061 1.00 0.00 C ATOM 622 CD1 PHE A 40 1.526 2.104 -0.911 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.413 4.087 0.065 1.00 0.00 C ATOM 624 CE1 PHE A 40 1.467 1.515 0.335 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.354 3.503 1.314 1.00 0.00 C ATOM 626 CZ PHE A 40 1.882 2.216 1.450 1.00 0.00 C ATOM 0 H PHE A 40 0.015 3.273 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 40 0.612 5.511 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.106 3.242 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.027 4.570 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.200 1.551 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.787 5.095 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.096 0.506 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.678 4.055 2.184 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.837 1.756 2.426 1.00 0.00 H new ATOM 636 N GLU A 41 1.547 5.617 -5.008 1.00 0.00 N ATOM 637 CA GLU A 41 2.105 6.451 -6.073 1.00 0.00 C ATOM 638 C GLU A 41 1.120 7.503 -6.542 1.00 0.00 C ATOM 639 O GLU A 41 1.434 8.307 -7.421 1.00 0.00 O ATOM 640 CB GLU A 41 2.508 5.594 -7.258 1.00 0.00 C ATOM 641 CG GLU A 41 1.327 4.950 -7.970 1.00 0.00 C ATOM 642 CD GLU A 41 1.732 4.069 -9.125 1.00 0.00 C ATOM 643 OE1 GLU A 41 1.726 2.836 -8.966 1.00 0.00 O ATOM 644 OE2 GLU A 41 2.045 4.604 -10.205 1.00 0.00 O ATOM 0 H GLU A 41 1.241 4.696 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 41 2.979 6.954 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.060 6.208 -7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.187 4.812 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.759 4.358 -7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.662 5.732 -8.335 1.00 0.00 H new ATOM 651 N SER A 42 -0.070 7.474 -5.983 1.00 0.00 N ATOM 652 CA SER A 42 -1.121 8.373 -6.393 1.00 0.00 C ATOM 653 C SER A 42 -0.700 9.823 -6.206 1.00 0.00 C ATOM 654 O SER A 42 -0.897 10.661 -7.089 1.00 0.00 O ATOM 655 CB SER A 42 -2.396 8.077 -5.605 1.00 0.00 C ATOM 656 OG SER A 42 -2.205 8.310 -4.218 1.00 0.00 O ATOM 0 H SER A 42 -0.333 6.830 -5.237 1.00 0.00 H new ATOM 0 HA SER A 42 -1.317 8.217 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.209 8.703 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.694 7.041 -5.765 1.00 0.00 H new ATOM 0 HG SER A 42 -2.359 7.479 -3.722 1.00 0.00 H new ATOM 662 N SER A 43 -0.125 10.121 -5.060 1.00 0.00 N ATOM 663 CA SER A 43 0.293 11.472 -4.765 1.00 0.00 C ATOM 664 C SER A 43 1.480 11.513 -3.802 1.00 0.00 C ATOM 665 O SER A 43 2.628 11.616 -4.226 1.00 0.00 O ATOM 666 CB SER A 43 -0.880 12.284 -4.211 1.00 0.00 C ATOM 667 OG SER A 43 -1.951 12.331 -5.141 1.00 0.00 O ATOM 0 H SER A 43 0.063 9.446 -4.319 1.00 0.00 H new ATOM 0 HA SER A 43 0.625 11.921 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.224 11.841 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.549 13.297 -3.981 1.00 0.00 H new ATOM 0 HG SER A 43 -2.689 12.854 -4.764 1.00 0.00 H new ATOM 673 N CYS A 44 1.172 11.398 -2.504 1.00 0.00 N ATOM 674 CA CYS A 44 2.154 11.501 -1.416 1.00 0.00 C ATOM 675 C CYS A 44 1.427 11.631 -0.055 1.00 0.00 C ATOM 676 O CYS A 44 1.756 10.913 0.892 1.00 0.00 O ATOM 677 CB CYS A 44 3.109 12.700 -1.622 1.00 0.00 C ATOM 678 SG CYS A 44 4.153 13.117 -0.178 1.00 0.00 S ATOM 0 H CYS A 44 0.221 11.229 -2.175 1.00 0.00 H new ATOM 0 HA CYS A 44 2.754 10.591 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.759 12.486 -2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.516 13.575 -1.887 1.00 0.00 H new ATOM 683 N PRO A 45 0.425 12.568 0.072 1.00 0.00 N ATOM 684 CA PRO A 45 -0.353 12.716 1.304 1.00 0.00 C ATOM 685 C PRO A 45 -1.080 11.428 1.664 1.00 0.00 C ATOM 686 O PRO A 45 -1.773 10.834 0.829 1.00 0.00 O ATOM 687 CB PRO A 45 -1.370 13.825 0.973 1.00 0.00 C ATOM 688 CG PRO A 45 -1.382 13.905 -0.512 1.00 0.00 C ATOM 689 CD PRO A 45 0.005 13.554 -0.943 1.00 0.00 C ATOM 0 HA PRO A 45 0.280 12.953 2.159 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.359 13.583 1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.076 14.776 1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.111 13.215 -0.936 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.656 14.905 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.021 13.132 -1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.658 14.427 -0.953 1.00 0.00 H new ATOM 697 N GLN A 46 -0.928 11.008 2.910 1.00 0.00 N ATOM 698 CA GLN A 46 -1.527 9.769 3.389 1.00 0.00 C ATOM 699 C GLN A 46 -3.042 9.834 3.343 1.00 0.00 C ATOM 700 O GLN A 46 -3.696 8.809 3.311 1.00 0.00 O ATOM 701 CB GLN A 46 -1.074 9.474 4.812 1.00 0.00 C ATOM 702 CG GLN A 46 -1.421 8.075 5.291 1.00 0.00 C ATOM 703 CD GLN A 46 -1.195 7.892 6.772 1.00 0.00 C ATOM 704 OE1 GLN A 46 -1.396 8.815 7.560 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.739 6.716 7.157 1.00 0.00 N ATOM 0 H GLN A 46 -0.390 11.512 3.615 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.195 8.968 2.729 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.005 9.612 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.528 10.201 5.485 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.465 7.865 5.059 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.820 7.349 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.587 5.978 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.539 6.544 8.142 1.00 0.00 H new ATOM 714 N GLN A 47 -3.582 11.046 3.345 1.00 0.00 N ATOM 715 CA GLN A 47 -5.025 11.245 3.326 1.00 0.00 C ATOM 716 C GLN A 47 -5.686 10.418 2.224 1.00 0.00 C ATOM 717 O GLN A 47 -6.496 9.550 2.504 1.00 0.00 O ATOM 718 CB GLN A 47 -5.362 12.729 3.156 1.00 0.00 C ATOM 719 CG GLN A 47 -6.855 13.046 3.226 1.00 0.00 C ATOM 720 CD GLN A 47 -7.472 12.745 4.588 1.00 0.00 C ATOM 721 OE1 GLN A 47 -7.038 11.841 5.303 1.00 0.00 O ATOM 722 NE2 GLN A 47 -8.483 13.503 4.951 1.00 0.00 N ATOM 0 H GLN A 47 -3.039 11.910 3.360 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.420 10.905 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.845 13.298 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.975 13.070 2.196 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.007 14.099 2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.378 12.470 2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.814 14.242 4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.936 13.352 5.852 1.00 0.00 H new ATOM 731 N TRP A 48 -5.309 10.670 0.979 1.00 0.00 N ATOM 732 CA TRP A 48 -5.902 9.946 -0.135 1.00 0.00 C ATOM 733 C TRP A 48 -5.317 8.538 -0.260 1.00 0.00 C ATOM 734 O TRP A 48 -6.023 7.601 -0.602 1.00 0.00 O ATOM 735 CB TRP A 48 -5.730 10.712 -1.449 1.00 0.00 C ATOM 736 CG TRP A 48 -6.495 10.101 -2.588 1.00 0.00 C ATOM 737 CD1 TRP A 48 -6.000 9.303 -3.578 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.901 10.227 -2.840 1.00 0.00 C ATOM 739 NE1 TRP A 48 -7.007 8.935 -4.435 1.00 0.00 N ATOM 740 CE2 TRP A 48 -8.183 9.487 -4.004 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.948 10.896 -2.197 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -9.467 9.398 -4.537 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -10.221 10.805 -2.727 1.00 0.00 C ATOM 744 CH2 TRP A 48 -10.471 10.061 -3.888 1.00 0.00 C ATOM 0 H TRP A 48 -4.605 11.360 0.717 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.968 9.854 0.071 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.059 11.742 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.672 10.747 -1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.966 9.004 -3.673 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.897 8.345 -5.260 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.765 11.473 -1.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.662 8.825 -5.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -11.037 11.316 -2.238 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.477 10.010 -4.278 1.00 0.00 H new ATOM 755 N ILE A 49 -4.030 8.399 0.033 1.00 0.00 N ATOM 756 CA ILE A 49 -3.357 7.101 -0.060 1.00 0.00 C ATOM 757 C ILE A 49 -4.011 6.074 0.862 1.00 0.00 C ATOM 758 O ILE A 49 -4.345 4.964 0.439 1.00 0.00 O ATOM 759 CB ILE A 49 -1.851 7.229 0.274 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.148 8.060 -0.814 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.198 5.848 0.431 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.334 8.262 -0.591 1.00 0.00 C ATOM 0 H ILE A 49 -3.429 9.165 0.337 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.456 6.756 -1.089 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.745 7.744 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.294 7.571 -1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.629 9.036 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.140 5.970 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.688 5.304 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.301 5.289 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.747 8.858 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.492 8.781 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.833 7.293 -0.561 1.00 0.00 H new ATOM 774 N LYS A 50 -4.207 6.457 2.111 1.00 0.00 N ATOM 775 CA LYS A 50 -4.833 5.590 3.086 1.00 0.00 C ATOM 776 C LYS A 50 -6.306 5.433 2.788 1.00 0.00 C ATOM 777 O LYS A 50 -6.851 4.368 2.951 1.00 0.00 O ATOM 778 CB LYS A 50 -4.635 6.143 4.502 1.00 0.00 C ATOM 779 CG LYS A 50 -3.539 5.451 5.289 1.00 0.00 C ATOM 780 CD LYS A 50 -3.962 4.066 5.726 1.00 0.00 C ATOM 781 CE LYS A 50 -2.822 3.328 6.403 1.00 0.00 C ATOM 782 NZ LYS A 50 -2.332 4.032 7.618 1.00 0.00 N ATOM 0 H LYS A 50 -3.938 7.372 2.474 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.360 4.610 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.404 7.206 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.573 6.053 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.639 5.382 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.285 6.049 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.807 4.141 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.303 3.498 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.153 2.326 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.999 3.211 5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.331 4.286 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.892 4.895 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.429 3.407 8.444 1.00 0.00 H new ATOM 796 N TYR A 51 -6.931 6.504 2.332 1.00 0.00 N ATOM 797 CA TYR A 51 -8.370 6.494 2.030 1.00 0.00 C ATOM 798 C TYR A 51 -8.708 5.597 0.832 1.00 0.00 C ATOM 799 O TYR A 51 -9.627 4.778 0.896 1.00 0.00 O ATOM 800 CB TYR A 51 -8.867 7.926 1.776 1.00 0.00 C ATOM 801 CG TYR A 51 -10.265 8.014 1.202 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.383 7.923 2.019 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.462 8.190 -0.162 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.657 8.005 1.489 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.729 8.273 -0.696 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.821 8.180 0.131 1.00 0.00 C ATOM 807 OH TYR A 51 -14.086 8.264 -0.403 1.00 0.00 O ATOM 0 H TYR A 51 -6.472 7.398 2.159 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.880 6.079 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.838 8.479 2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.176 8.421 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -11.256 7.786 3.083 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.606 8.263 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.519 7.932 2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.863 8.410 -1.759 1.00 0.00 H new ATOM 0 HH TYR A 51 -14.024 8.388 -1.373 1.00 0.00 H new ATOM 817 N PHE A 52 -7.968 5.754 -0.247 1.00 0.00 N ATOM 818 CA PHE A 52 -8.237 5.019 -1.471 1.00 0.00 C ATOM 819 C PHE A 52 -7.858 3.548 -1.345 1.00 0.00 C ATOM 820 O PHE A 52 -8.568 2.664 -1.837 1.00 0.00 O ATOM 821 CB PHE A 52 -7.499 5.671 -2.648 1.00 0.00 C ATOM 822 CG PHE A 52 -7.608 4.911 -3.937 1.00 0.00 C ATOM 823 CD1 PHE A 52 -8.830 4.771 -4.576 1.00 0.00 C ATOM 824 CD2 PHE A 52 -6.488 4.337 -4.509 1.00 0.00 C ATOM 825 CE1 PHE A 52 -8.928 4.070 -5.760 1.00 0.00 C ATOM 826 CE2 PHE A 52 -6.580 3.636 -5.690 1.00 0.00 C ATOM 827 CZ PHE A 52 -7.800 3.502 -6.319 1.00 0.00 C ATOM 0 H PHE A 52 -7.171 6.387 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.310 5.059 -1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.892 6.676 -2.797 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.446 5.776 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.714 5.215 -4.143 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.529 4.440 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.885 3.966 -6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.697 3.191 -6.124 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.873 2.954 -7.247 1.00 0.00 H new ATOM 837 N ASP A 53 -6.745 3.278 -0.700 1.00 0.00 N ATOM 838 CA ASP A 53 -6.285 1.909 -0.551 1.00 0.00 C ATOM 839 C ASP A 53 -7.035 1.174 0.536 1.00 0.00 C ATOM 840 O ASP A 53 -7.103 -0.053 0.518 1.00 0.00 O ATOM 841 CB ASP A 53 -4.799 1.831 -0.300 1.00 0.00 C ATOM 842 CG ASP A 53 -4.263 0.467 -0.671 1.00 0.00 C ATOM 843 OD1 ASP A 53 -4.429 0.070 -1.855 1.00 0.00 O ATOM 844 OD2 ASP A 53 -3.675 -0.204 0.195 1.00 0.00 O ATOM 0 H ASP A 53 -6.143 3.981 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.493 1.417 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.287 2.598 -0.881 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.592 2.035 0.751 1.00 0.00 H new ATOM 849 N LYS A 54 -7.604 1.940 1.474 1.00 0.00 N ATOM 850 CA LYS A 54 -8.309 1.407 2.657 1.00 0.00 C ATOM 851 C LYS A 54 -9.340 0.336 2.313 1.00 0.00 C ATOM 852 O LYS A 54 -9.739 -0.441 3.178 1.00 0.00 O ATOM 853 CB LYS A 54 -8.977 2.551 3.411 1.00 0.00 C ATOM 854 CG LYS A 54 -9.639 2.151 4.711 1.00 0.00 C ATOM 855 CD LYS A 54 -9.735 3.331 5.657 1.00 0.00 C ATOM 856 CE LYS A 54 -8.366 3.730 6.181 1.00 0.00 C ATOM 857 NZ LYS A 54 -7.656 2.580 6.803 1.00 0.00 N ATOM 0 H LYS A 54 -7.591 2.959 1.437 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.559 0.924 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.229 3.316 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.726 3.007 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.636 1.759 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.070 1.349 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.190 4.177 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.387 3.078 6.493 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.766 4.129 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.476 4.529 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.908 2.934 7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.331 2.011 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.232 1.990 6.059 1.00 0.00 H new ATOM 871 N ARG A 55 -9.775 0.298 1.063 1.00 0.00 N ATOM 872 CA ARG A 55 -10.690 -0.733 0.619 1.00 0.00 C ATOM 873 C ARG A 55 -10.080 -2.107 0.917 1.00 0.00 C ATOM 874 O ARG A 55 -10.764 -3.020 1.383 1.00 0.00 O ATOM 875 CB ARG A 55 -10.973 -0.581 -0.878 1.00 0.00 C ATOM 876 CG ARG A 55 -12.136 -1.425 -1.396 1.00 0.00 C ATOM 877 CD ARG A 55 -13.464 -1.018 -0.761 1.00 0.00 C ATOM 878 NE ARG A 55 -13.621 -1.539 0.605 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.983 -0.805 1.664 1.00 0.00 C ATOM 880 NH1 ARG A 55 -14.172 0.510 1.540 1.00 0.00 N ATOM 881 NH2 ARG A 55 -14.135 -1.390 2.843 1.00 0.00 N ATOM 0 H ARG A 55 -9.508 0.969 0.342 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.636 -0.637 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.180 0.468 -1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.073 -0.847 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.205 -1.322 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.942 -2.477 -1.188 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.535 0.070 -0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.285 -1.380 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.441 -2.532 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.041 0.961 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.448 1.064 2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.976 -2.393 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.411 -0.837 3.655 1.00 0.00 H new ATOM 895 N ARG A 56 -8.786 -2.235 0.645 1.00 0.00 N ATOM 896 CA ARG A 56 -8.053 -3.449 0.950 1.00 0.00 C ATOM 897 C ARG A 56 -7.105 -3.215 2.140 1.00 0.00 C ATOM 898 O ARG A 56 -7.165 -3.933 3.133 1.00 0.00 O ATOM 899 CB ARG A 56 -7.280 -3.936 -0.281 1.00 0.00 C ATOM 900 CG ARG A 56 -6.567 -5.268 -0.083 1.00 0.00 C ATOM 901 CD ARG A 56 -7.529 -6.369 0.360 1.00 0.00 C ATOM 902 NE ARG A 56 -8.621 -6.577 -0.594 1.00 0.00 N ATOM 903 CZ ARG A 56 -9.597 -7.483 -0.443 1.00 0.00 C ATOM 904 NH1 ARG A 56 -9.614 -8.280 0.622 1.00 0.00 N ATOM 905 NH2 ARG A 56 -10.544 -7.595 -1.363 1.00 0.00 N ATOM 0 H ARG A 56 -8.223 -1.504 0.210 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.765 -4.226 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.972 -4.028 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.545 -3.180 -0.557 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.082 -5.562 -1.014 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.781 -5.151 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.977 -7.301 0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.946 -6.113 1.334 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.640 -5.993 -1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.882 -8.203 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.359 -8.968 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.530 -6.992 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.287 -8.284 -1.249 1.00 0.00 H new ATOM 919 N ASP A 57 -6.229 -2.186 2.004 1.00 0.00 N ATOM 920 CA ASP A 57 -5.248 -1.780 3.055 1.00 0.00 C ATOM 921 C ASP A 57 -4.496 -2.987 3.641 1.00 0.00 C ATOM 922 O ASP A 57 -4.100 -2.978 4.805 1.00 0.00 O ATOM 923 CB ASP A 57 -5.965 -1.008 4.182 1.00 0.00 C ATOM 924 CG ASP A 57 -5.361 0.370 4.451 1.00 0.00 C ATOM 925 OD1 ASP A 57 -4.287 0.684 3.874 1.00 0.00 O ATOM 926 OD2 ASP A 57 -5.962 1.149 5.242 1.00 0.00 O ATOM 0 H ASP A 57 -6.180 -1.611 1.163 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.511 -1.132 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.017 -0.891 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.928 -1.598 5.098 1.00 0.00 H new ATOM 931 N TYR A 58 -4.249 -3.993 2.801 1.00 0.00 N ATOM 932 CA TYR A 58 -3.668 -5.260 3.250 1.00 0.00 C ATOM 933 C TYR A 58 -2.292 -5.110 3.929 1.00 0.00 C ATOM 934 O TYR A 58 -2.143 -5.430 5.102 1.00 0.00 O ATOM 935 CB TYR A 58 -3.585 -6.257 2.097 1.00 0.00 C ATOM 936 CG TYR A 58 -3.137 -7.619 2.542 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.040 -8.527 3.070 1.00 0.00 C ATOM 938 CD2 TYR A 58 -1.815 -7.990 2.452 1.00 0.00 C ATOM 939 CE1 TYR A 58 -3.631 -9.773 3.496 1.00 0.00 C ATOM 940 CE2 TYR A 58 -1.391 -9.234 2.872 1.00 0.00 C ATOM 941 CZ TYR A 58 -2.303 -10.122 3.394 1.00 0.00 C ATOM 942 OH TYR A 58 -1.887 -11.365 3.816 1.00 0.00 O ATOM 0 H TYR A 58 -4.443 -3.955 1.800 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.345 -5.641 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.562 -6.338 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.893 -5.879 1.344 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.082 -8.254 3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.096 -7.295 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.347 -10.470 3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.350 -9.509 2.791 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.921 -11.452 3.674 1.00 0.00 H new ATOM 952 N LEU A 59 -1.292 -4.643 3.190 1.00 0.00 N ATOM 953 CA LEU A 59 0.061 -4.488 3.753 1.00 0.00 C ATOM 954 C LEU A 59 0.063 -3.514 4.917 1.00 0.00 C ATOM 955 O LEU A 59 0.875 -3.621 5.831 1.00 0.00 O ATOM 956 CB LEU A 59 1.057 -4.030 2.683 1.00 0.00 C ATOM 957 CG LEU A 59 1.937 -5.118 2.060 1.00 0.00 C ATOM 958 CD1 LEU A 59 2.928 -5.628 3.073 1.00 0.00 C ATOM 959 CD2 LEU A 59 1.102 -6.268 1.515 1.00 0.00 C ATOM 0 H LEU A 59 -1.381 -4.366 2.212 1.00 0.00 H new ATOM 0 HA LEU A 59 0.373 -5.466 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.499 -3.543 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.708 -3.275 3.123 1.00 0.00 H new ATOM 0 HG LEU A 59 2.476 -4.673 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.548 -6.401 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.561 -4.806 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.394 -6.046 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.759 -7.021 1.081 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.524 -6.714 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.423 -5.894 0.749 1.00 0.00 H new ATOM 971 N LYS A 60 -0.849 -2.573 4.865 1.00 0.00 N ATOM 972 CA LYS A 60 -0.982 -1.561 5.908 1.00 0.00 C ATOM 973 C LYS A 60 -1.418 -2.149 7.252 1.00 0.00 C ATOM 974 O LYS A 60 -1.187 -1.536 8.290 1.00 0.00 O ATOM 975 CB LYS A 60 -1.906 -0.428 5.474 1.00 0.00 C ATOM 976 CG LYS A 60 -1.177 0.777 4.864 1.00 0.00 C ATOM 977 CD LYS A 60 -0.322 0.402 3.662 1.00 0.00 C ATOM 978 CE LYS A 60 -1.159 -0.179 2.533 1.00 0.00 C ATOM 979 NZ LYS A 60 -2.302 0.699 2.173 1.00 0.00 N ATOM 0 H LYS A 60 -1.522 -2.480 4.105 1.00 0.00 H new ATOM 0 HA LYS A 60 0.014 -1.144 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.619 -0.814 4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.481 -0.092 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.910 1.525 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.545 1.237 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.209 1.284 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.433 -0.323 3.965 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.529 -0.330 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.535 -1.159 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.570 0.531 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.111 0.487 2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.026 1.695 2.294 1.00 0.00 H new ATOM 993 N PHE A 61 -2.078 -3.318 7.239 1.00 0.00 N ATOM 994 CA PHE A 61 -2.469 -3.986 8.497 1.00 0.00 C ATOM 995 C PHE A 61 -1.255 -4.166 9.408 1.00 0.00 C ATOM 996 O PHE A 61 -1.370 -4.118 10.633 1.00 0.00 O ATOM 997 CB PHE A 61 -3.115 -5.358 8.239 1.00 0.00 C ATOM 998 CG PHE A 61 -4.537 -5.300 7.748 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.860 -5.727 6.477 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -5.549 -4.827 8.569 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -6.164 -5.685 6.024 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -6.856 -4.780 8.124 1.00 0.00 C ATOM 1003 CZ PHE A 61 -7.164 -5.211 6.849 1.00 0.00 C ATOM 0 H PHE A 61 -2.349 -3.815 6.390 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.204 -3.345 8.984 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.513 -5.896 7.506 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.087 -5.937 9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.082 -6.099 5.827 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.313 -4.491 9.568 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.401 -6.022 5.026 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.635 -4.407 8.772 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.185 -5.177 6.498 1.00 0.00 H new