USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=13 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 Single : A 10 GLN : amide:sc= -0.467 K(o=-0.47,f=-1.8) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 2.07 (180deg=1.82) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.296 K(o=-0.3,f=-9.8!) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= 0.474 (180deg=0.135) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 69:sc= 0.808 USER MOD Single : A 42 SER OG : rot -154:sc= 0.313 USER MOD Single : A 43 SER OG : rot -3:sc= 0.227 USER MOD Single : A 46 GLN : amide:sc= -0.717 X(o=-0.72,f=-1.1) USER MOD Single : A 47 GLN : amide:sc=-0.00106 K(o=-0.0011,f=-0.81) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= 1.46 (180deg=1.14) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 0.261 (180deg=-0.696) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 158:sc= 2.61 (180deg=1.28) USER MOD ----------------------------------------------------------------- ATOM 117 N ARG A 9 6.783 11.190 6.043 1.00 0.00 N ATOM 118 CA ARG A 9 7.923 10.606 5.347 1.00 0.00 C ATOM 119 C ARG A 9 7.684 9.150 4.969 1.00 0.00 C ATOM 120 O ARG A 9 7.926 8.763 3.835 1.00 0.00 O ATOM 121 CB ARG A 9 9.195 10.714 6.198 1.00 0.00 C ATOM 122 CG ARG A 9 9.643 12.139 6.524 1.00 0.00 C ATOM 123 CD ARG A 9 9.943 12.951 5.269 1.00 0.00 C ATOM 124 NE ARG A 9 8.723 13.402 4.589 1.00 0.00 N ATOM 125 CZ ARG A 9 8.560 13.426 3.261 1.00 0.00 C ATOM 126 NH1 ARG A 9 9.506 12.952 2.457 1.00 0.00 N ATOM 127 NH2 ARG A 9 7.435 13.907 2.745 1.00 0.00 N ATOM 0 HA ARG A 9 8.052 11.175 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.033 10.178 7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.006 10.206 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.865 12.639 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.533 12.103 7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.548 13.817 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.536 12.347 4.582 1.00 0.00 H new ATOM 0 HE ARG A 9 7.946 13.719 5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.364 12.566 2.851 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.374 12.974 1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.700 14.256 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.306 13.928 1.733 1.00 0.00 H new ATOM 141 N GLN A 10 7.197 8.354 5.921 1.00 0.00 N ATOM 142 CA GLN A 10 6.994 6.915 5.702 1.00 0.00 C ATOM 143 C GLN A 10 6.106 6.642 4.488 1.00 0.00 C ATOM 144 O GLN A 10 6.413 5.783 3.677 1.00 0.00 O ATOM 145 CB GLN A 10 6.410 6.252 6.967 1.00 0.00 C ATOM 146 CG GLN A 10 6.358 4.717 6.923 1.00 0.00 C ATOM 147 CD GLN A 10 5.152 4.168 6.173 1.00 0.00 C ATOM 148 OE1 GLN A 10 4.088 4.779 6.154 1.00 0.00 O ATOM 149 NE2 GLN A 10 5.314 3.013 5.549 1.00 0.00 N ATOM 0 H GLN A 10 6.935 8.678 6.852 1.00 0.00 H new ATOM 0 HA GLN A 10 7.969 6.475 5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.005 6.557 7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.401 6.632 7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.268 4.345 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.346 4.333 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.214 2.534 5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.539 2.601 5.029 1.00 0.00 H new ATOM 158 N VAL A 11 5.026 7.380 4.365 1.00 0.00 N ATOM 159 CA VAL A 11 4.100 7.175 3.261 1.00 0.00 C ATOM 160 C VAL A 11 4.612 7.807 1.969 1.00 0.00 C ATOM 161 O VAL A 11 4.511 7.214 0.895 1.00 0.00 O ATOM 162 CB VAL A 11 2.696 7.722 3.602 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.762 7.625 2.404 1.00 0.00 C ATOM 164 CG2 VAL A 11 2.120 6.959 4.779 1.00 0.00 C ATOM 0 H VAL A 11 4.763 8.126 5.010 1.00 0.00 H new ATOM 0 HA VAL A 11 4.026 6.099 3.104 1.00 0.00 H new ATOM 0 HB VAL A 11 2.793 8.775 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.782 8.017 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.170 8.206 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.665 6.582 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.130 7.348 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.043 5.902 4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.773 7.077 5.644 1.00 0.00 H new ATOM 174 N CYS A 12 5.183 8.991 2.077 1.00 0.00 N ATOM 175 CA CYS A 12 5.675 9.696 0.901 1.00 0.00 C ATOM 176 C CYS A 12 6.875 8.961 0.300 1.00 0.00 C ATOM 177 O CYS A 12 6.891 8.632 -0.896 1.00 0.00 O ATOM 178 CB CYS A 12 6.052 11.129 1.259 1.00 0.00 C ATOM 179 SG CYS A 12 5.757 12.336 -0.072 1.00 0.00 S ATOM 0 H CYS A 12 5.319 9.485 2.959 1.00 0.00 H new ATOM 0 HA CYS A 12 4.879 9.724 0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.486 11.432 2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.107 11.157 1.532 1.00 0.00 H new ATOM 184 N TRP A 13 7.869 8.683 1.133 1.00 0.00 N ATOM 185 CA TRP A 13 9.041 7.965 0.684 1.00 0.00 C ATOM 186 C TRP A 13 8.679 6.514 0.428 1.00 0.00 C ATOM 187 O TRP A 13 9.280 5.852 -0.415 1.00 0.00 O ATOM 188 CB TRP A 13 10.180 8.069 1.704 1.00 0.00 C ATOM 189 CG TRP A 13 11.460 7.453 1.225 1.00 0.00 C ATOM 190 CD1 TRP A 13 11.979 6.250 1.599 1.00 0.00 C ATOM 191 CD2 TRP A 13 12.373 8.007 0.269 1.00 0.00 C ATOM 192 NE1 TRP A 13 13.158 6.022 0.938 1.00 0.00 N ATOM 193 CE2 TRP A 13 13.424 7.084 0.117 1.00 0.00 C ATOM 194 CE3 TRP A 13 12.406 9.191 -0.473 1.00 0.00 C ATOM 195 CZ2 TRP A 13 14.495 7.307 -0.746 1.00 0.00 C ATOM 196 CZ3 TRP A 13 13.470 9.412 -1.328 1.00 0.00 C ATOM 197 CH2 TRP A 13 14.501 8.474 -1.458 1.00 0.00 C ATOM 0 H TRP A 13 7.882 8.945 2.119 1.00 0.00 H new ATOM 0 HA TRP A 13 9.393 8.416 -0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.355 9.119 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.875 7.583 2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.528 5.575 2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 13 13.743 5.193 1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 13 11.615 9.920 -0.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 15.291 6.584 -0.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 13.506 10.324 -1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 13 15.318 8.676 -2.135 1.00 0.00 H new ATOM 208 N GLY A 14 7.676 6.034 1.155 1.00 0.00 N ATOM 209 CA GLY A 14 7.190 4.690 0.955 1.00 0.00 C ATOM 210 C GLY A 14 6.693 4.502 -0.448 1.00 0.00 C ATOM 211 O GLY A 14 7.010 3.524 -1.086 1.00 0.00 O ATOM 0 H GLY A 14 7.191 6.559 1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.988 3.976 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.386 4.481 1.661 1.00 0.00 H new ATOM 215 N ALA A 15 5.921 5.470 -0.935 1.00 0.00 N ATOM 216 CA ALA A 15 5.425 5.446 -2.305 1.00 0.00 C ATOM 217 C ALA A 15 6.591 5.450 -3.280 1.00 0.00 C ATOM 218 O ALA A 15 6.602 4.708 -4.271 1.00 0.00 O ATOM 219 CB ALA A 15 4.528 6.648 -2.556 1.00 0.00 C ATOM 0 H ALA A 15 5.625 6.284 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 15 4.843 4.536 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.162 6.621 -3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.682 6.621 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.095 7.565 -2.397 1.00 0.00 H new ATOM 225 N ARG A 16 7.576 6.285 -2.980 1.00 0.00 N ATOM 226 CA ARG A 16 8.782 6.389 -3.787 1.00 0.00 C ATOM 227 C ARG A 16 9.490 5.035 -3.877 1.00 0.00 C ATOM 228 O ARG A 16 9.842 4.579 -4.964 1.00 0.00 O ATOM 229 CB ARG A 16 9.730 7.436 -3.178 1.00 0.00 C ATOM 230 CG ARG A 16 11.070 7.558 -3.891 1.00 0.00 C ATOM 231 CD ARG A 16 10.908 8.123 -5.288 1.00 0.00 C ATOM 232 NE ARG A 16 10.485 9.523 -5.268 1.00 0.00 N ATOM 233 CZ ARG A 16 10.197 10.239 -6.358 1.00 0.00 C ATOM 234 NH1 ARG A 16 10.203 9.668 -7.559 1.00 0.00 N ATOM 235 NH2 ARG A 16 9.886 11.523 -6.244 1.00 0.00 N ATOM 0 H ARG A 16 7.561 6.908 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 16 8.500 6.700 -4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.236 8.407 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.909 7.183 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.734 8.201 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.544 6.578 -3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.853 8.037 -5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.175 7.531 -5.836 1.00 0.00 H new ATOM 0 HE ARG A 16 10.405 9.983 -4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.428 8.678 -7.652 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.982 10.220 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.867 11.963 -5.324 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.666 12.070 -7.076 1.00 0.00 H new ATOM 249 N ASP A 17 9.673 4.398 -2.730 1.00 0.00 N ATOM 250 CA ASP A 17 10.376 3.122 -2.654 1.00 0.00 C ATOM 251 C ASP A 17 9.506 1.975 -3.181 1.00 0.00 C ATOM 252 O ASP A 17 10.016 1.028 -3.792 1.00 0.00 O ATOM 253 CB ASP A 17 10.817 2.849 -1.211 1.00 0.00 C ATOM 254 CG ASP A 17 11.936 1.830 -1.117 1.00 0.00 C ATOM 255 OD1 ASP A 17 13.040 2.105 -1.637 1.00 0.00 O ATOM 256 OD2 ASP A 17 11.736 0.766 -0.507 1.00 0.00 O ATOM 0 H ASP A 17 9.342 4.746 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 17 11.261 3.182 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.144 3.783 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.961 2.495 -0.636 1.00 0.00 H new ATOM 261 N GLU A 18 8.189 2.078 -2.962 1.00 0.00 N ATOM 262 CA GLU A 18 7.235 1.063 -3.425 1.00 0.00 C ATOM 263 C GLU A 18 7.168 1.008 -4.937 1.00 0.00 C ATOM 264 O GLU A 18 6.755 -0.005 -5.510 1.00 0.00 O ATOM 265 CB GLU A 18 5.822 1.278 -2.846 1.00 0.00 C ATOM 266 CG GLU A 18 5.612 0.708 -1.446 1.00 0.00 C ATOM 267 CD GLU A 18 4.152 0.352 -1.177 1.00 0.00 C ATOM 268 OE1 GLU A 18 3.689 -0.680 -1.710 1.00 0.00 O ATOM 269 OE2 GLU A 18 3.471 1.085 -0.426 1.00 0.00 O ATOM 0 H GLU A 18 7.759 2.858 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 18 7.608 0.108 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.613 2.347 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.095 0.825 -3.520 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.229 -0.182 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.949 1.434 -0.706 1.00 0.00 H new ATOM 276 N TYR A 19 7.550 2.100 -5.585 1.00 0.00 N ATOM 277 CA TYR A 19 7.615 2.129 -7.034 1.00 0.00 C ATOM 278 C TYR A 19 8.498 0.983 -7.520 1.00 0.00 C ATOM 279 O TYR A 19 8.144 0.256 -8.453 1.00 0.00 O ATOM 280 CB TYR A 19 8.174 3.479 -7.515 1.00 0.00 C ATOM 281 CG TYR A 19 8.423 3.550 -9.008 1.00 0.00 C ATOM 282 CD1 TYR A 19 7.401 3.870 -9.891 1.00 0.00 C ATOM 283 CD2 TYR A 19 9.685 3.296 -9.530 1.00 0.00 C ATOM 284 CE1 TYR A 19 7.632 3.932 -11.251 1.00 0.00 C ATOM 285 CE2 TYR A 19 9.922 3.359 -10.885 1.00 0.00 C ATOM 286 CZ TYR A 19 8.894 3.676 -11.743 1.00 0.00 C ATOM 287 OH TYR A 19 9.129 3.733 -13.099 1.00 0.00 O ATOM 0 H TYR A 19 7.818 2.973 -5.130 1.00 0.00 H new ATOM 0 HA TYR A 19 6.612 2.010 -7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.476 4.269 -7.236 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.109 3.680 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.411 4.073 -9.509 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.495 3.045 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.827 4.180 -11.927 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.910 3.160 -11.273 1.00 0.00 H new ATOM 0 HH TYR A 19 10.071 3.527 -13.277 1.00 0.00 H new ATOM 297 N TRP A 20 9.643 0.830 -6.877 1.00 0.00 N ATOM 298 CA TRP A 20 10.559 -0.241 -7.202 1.00 0.00 C ATOM 299 C TRP A 20 10.158 -1.526 -6.491 1.00 0.00 C ATOM 300 O TRP A 20 9.891 -2.541 -7.128 1.00 0.00 O ATOM 301 CB TRP A 20 11.997 0.153 -6.876 1.00 0.00 C ATOM 302 CG TRP A 20 12.519 1.230 -7.776 1.00 0.00 C ATOM 303 CD1 TRP A 20 12.935 1.084 -9.068 1.00 0.00 C ATOM 304 CD2 TRP A 20 12.682 2.615 -7.457 1.00 0.00 C ATOM 305 NE1 TRP A 20 13.339 2.293 -9.572 1.00 0.00 N ATOM 306 CE2 TRP A 20 13.195 3.250 -8.605 1.00 0.00 C ATOM 307 CE3 TRP A 20 12.441 3.381 -6.315 1.00 0.00 C ATOM 308 CZ2 TRP A 20 13.472 4.611 -8.642 1.00 0.00 C ATOM 309 CZ3 TRP A 20 12.716 4.733 -6.354 1.00 0.00 C ATOM 310 CH2 TRP A 20 13.226 5.335 -7.509 1.00 0.00 C ATOM 0 H TRP A 20 9.958 1.440 -6.123 1.00 0.00 H new ATOM 0 HA TRP A 20 10.505 -0.424 -8.275 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.051 0.492 -5.841 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.637 -0.725 -6.958 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.944 0.152 -9.613 1.00 0.00 H new ATOM 0 HE1 TRP A 20 13.690 2.453 -10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.047 2.925 -5.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.867 5.079 -9.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.534 5.337 -5.477 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.430 6.396 -7.506 1.00 0.00 H new ATOM 321 N LYS A 21 10.102 -1.473 -5.167 1.00 0.00 N ATOM 322 CA LYS A 21 9.704 -2.628 -4.372 1.00 0.00 C ATOM 323 C LYS A 21 8.362 -2.357 -3.738 1.00 0.00 C ATOM 324 O LYS A 21 8.281 -1.684 -2.713 1.00 0.00 O ATOM 325 CB LYS A 21 10.712 -2.949 -3.248 1.00 0.00 C ATOM 326 CG LYS A 21 12.143 -3.277 -3.684 1.00 0.00 C ATOM 327 CD LYS A 21 12.931 -2.037 -4.099 1.00 0.00 C ATOM 328 CE LYS A 21 12.755 -0.880 -3.114 1.00 0.00 C ATOM 329 NZ LYS A 21 13.044 -1.266 -1.705 1.00 0.00 N ATOM 0 H LYS A 21 10.327 -0.642 -4.620 1.00 0.00 H new ATOM 0 HA LYS A 21 9.663 -3.483 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.749 -2.096 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.328 -3.794 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.663 -3.776 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.113 -3.979 -4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.989 -2.290 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.608 -1.719 -5.090 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.414 -0.061 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.733 -0.506 -3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.779 -0.486 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.496 -2.115 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.059 -1.467 -1.601 1.00 0.00 H new ATOM 343 N CYS A 22 7.315 -2.852 -4.341 1.00 0.00 N ATOM 344 CA CYS A 22 5.994 -2.643 -3.803 1.00 0.00 C ATOM 345 C CYS A 22 5.810 -3.489 -2.552 1.00 0.00 C ATOM 346 O CYS A 22 6.306 -4.622 -2.483 1.00 0.00 O ATOM 347 CB CYS A 22 4.947 -2.984 -4.858 1.00 0.00 C ATOM 348 SG CYS A 22 5.142 -4.650 -5.588 1.00 0.00 S ATOM 0 H CYS A 22 7.348 -3.400 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 22 5.871 -1.595 -3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.956 -2.909 -4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.994 -2.242 -5.655 1.00 0.00 H new ATOM 353 N LEU A 23 5.097 -2.942 -1.567 1.00 0.00 N ATOM 354 CA LEU A 23 4.872 -3.626 -0.295 1.00 0.00 C ATOM 355 C LEU A 23 6.190 -4.028 0.365 1.00 0.00 C ATOM 356 O LEU A 23 6.274 -5.052 1.059 1.00 0.00 O ATOM 357 CB LEU A 23 3.948 -4.830 -0.491 1.00 0.00 C ATOM 358 CG LEU A 23 2.471 -4.580 -0.154 1.00 0.00 C ATOM 359 CD1 LEU A 23 2.008 -3.247 -0.716 1.00 0.00 C ATOM 360 CD2 LEU A 23 1.602 -5.705 -0.693 1.00 0.00 C ATOM 0 H LEU A 23 4.663 -2.021 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 23 4.378 -2.930 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.017 -5.156 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.311 -5.651 0.127 1.00 0.00 H new ATOM 0 HG LEU A 23 2.373 -4.551 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.959 -3.091 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.607 -2.444 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.126 -3.248 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.559 -5.510 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.712 -5.763 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.911 -6.650 -0.246 1.00 0.00 H new ATOM 372 N ASP A 24 7.195 -3.166 0.177 1.00 0.00 N ATOM 373 CA ASP A 24 8.555 -3.339 0.720 1.00 0.00 C ATOM 374 C ASP A 24 8.542 -3.461 2.249 1.00 0.00 C ATOM 375 O ASP A 24 9.522 -3.869 2.865 1.00 0.00 O ATOM 376 CB ASP A 24 9.423 -2.147 0.298 1.00 0.00 C ATOM 377 CG ASP A 24 10.878 -2.295 0.692 1.00 0.00 C ATOM 378 OD1 ASP A 24 11.657 -2.883 -0.095 1.00 0.00 O ATOM 379 OD2 ASP A 24 11.258 -1.804 1.775 1.00 0.00 O ATOM 0 H ASP A 24 7.088 -2.310 -0.367 1.00 0.00 H new ATOM 0 HA ASP A 24 8.969 -4.264 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.357 -2.024 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.023 -1.238 0.747 1.00 0.00 H new ATOM 384 N GLU A 25 7.434 -3.079 2.843 1.00 0.00 N ATOM 385 CA GLU A 25 7.262 -3.129 4.280 1.00 0.00 C ATOM 386 C GLU A 25 7.410 -4.558 4.826 1.00 0.00 C ATOM 387 O GLU A 25 8.266 -4.822 5.666 1.00 0.00 O ATOM 388 CB GLU A 25 5.890 -2.592 4.646 1.00 0.00 C ATOM 389 CG GLU A 25 5.558 -1.260 3.994 1.00 0.00 C ATOM 390 CD GLU A 25 6.631 -0.208 4.225 1.00 0.00 C ATOM 391 OE1 GLU A 25 7.532 -0.083 3.380 1.00 0.00 O ATOM 392 OE2 GLU A 25 6.577 0.489 5.256 1.00 0.00 O ATOM 0 H GLU A 25 6.621 -2.722 2.341 1.00 0.00 H new ATOM 0 HA GLU A 25 8.043 -2.515 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.135 -3.324 4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.831 -2.481 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.425 -1.408 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.608 -0.896 4.385 1.00 0.00 H new ATOM 399 N ASN A 26 6.570 -5.477 4.348 1.00 0.00 N ATOM 400 CA ASN A 26 6.600 -6.856 4.866 1.00 0.00 C ATOM 401 C ASN A 26 6.875 -7.892 3.780 1.00 0.00 C ATOM 402 O ASN A 26 7.404 -8.965 4.067 1.00 0.00 O ATOM 403 CB ASN A 26 5.284 -7.200 5.583 1.00 0.00 C ATOM 404 CG ASN A 26 5.053 -6.357 6.823 1.00 0.00 C ATOM 405 OD1 ASN A 26 5.501 -6.700 7.913 1.00 0.00 O ATOM 406 ND2 ASN A 26 4.336 -5.258 6.667 1.00 0.00 N ATOM 0 H ASN A 26 5.875 -5.304 3.622 1.00 0.00 H new ATOM 0 HA ASN A 26 7.427 -6.896 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.452 -7.059 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.292 -8.254 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.137 -4.661 7.469 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.981 -5.007 5.744 1.00 0.00 H new ATOM 413 N LEU A 27 6.519 -7.568 2.532 1.00 0.00 N ATOM 414 CA LEU A 27 6.734 -8.477 1.376 1.00 0.00 C ATOM 415 C LEU A 27 6.029 -9.825 1.571 1.00 0.00 C ATOM 416 O LEU A 27 6.397 -10.826 0.958 1.00 0.00 O ATOM 417 CB LEU A 27 8.238 -8.712 1.108 1.00 0.00 C ATOM 418 CG LEU A 27 9.075 -7.476 0.752 1.00 0.00 C ATOM 419 CD1 LEU A 27 9.460 -6.712 2.001 1.00 0.00 C ATOM 420 CD2 LEU A 27 10.312 -7.874 -0.033 1.00 0.00 C ATOM 0 H LEU A 27 6.078 -6.682 2.285 1.00 0.00 H new ATOM 0 HA LEU A 27 6.297 -7.980 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.673 -9.174 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.331 -9.432 0.295 1.00 0.00 H new ATOM 0 HG LEU A 27 8.467 -6.823 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.053 -5.840 1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.559 -6.389 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.046 -7.357 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.891 -6.983 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.921 -8.551 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.013 -8.374 -0.954 1.00 0.00 H new ATOM 432 N GLU A 28 5.014 -9.837 2.422 1.00 0.00 N ATOM 433 CA GLU A 28 4.257 -11.048 2.704 1.00 0.00 C ATOM 434 C GLU A 28 3.461 -11.499 1.473 1.00 0.00 C ATOM 435 O GLU A 28 3.449 -12.681 1.126 1.00 0.00 O ATOM 436 CB GLU A 28 3.300 -10.788 3.865 1.00 0.00 C ATOM 437 CG GLU A 28 2.622 -12.030 4.403 1.00 0.00 C ATOM 438 CD GLU A 28 3.577 -12.912 5.163 1.00 0.00 C ATOM 439 OE1 GLU A 28 3.762 -12.679 6.372 1.00 0.00 O ATOM 440 OE2 GLU A 28 4.147 -13.837 4.556 1.00 0.00 O ATOM 0 H GLU A 28 4.693 -9.015 2.933 1.00 0.00 H new ATOM 0 HA GLU A 28 4.957 -11.840 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.851 -10.309 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.535 -10.083 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.799 -11.739 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.189 -12.593 3.576 1.00 0.00 H new ATOM 447 N ASP A 29 2.823 -10.550 0.812 1.00 0.00 N ATOM 448 CA ASP A 29 2.017 -10.837 -0.351 1.00 0.00 C ATOM 449 C ASP A 29 2.195 -9.759 -1.391 1.00 0.00 C ATOM 450 O ASP A 29 1.548 -8.715 -1.337 1.00 0.00 O ATOM 451 CB ASP A 29 0.550 -10.952 0.021 1.00 0.00 C ATOM 452 CG ASP A 29 -0.298 -11.407 -1.148 1.00 0.00 C ATOM 453 OD1 ASP A 29 -0.847 -10.547 -1.865 1.00 0.00 O ATOM 454 OD2 ASP A 29 -0.419 -12.631 -1.359 1.00 0.00 O ATOM 0 H ASP A 29 2.851 -9.563 1.069 1.00 0.00 H new ATOM 0 HA ASP A 29 2.348 -11.791 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.439 -11.657 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.189 -9.987 0.376 1.00 0.00 H new ATOM 459 N ALA A 30 3.097 -9.996 -2.303 1.00 0.00 N ATOM 460 CA ALA A 30 3.375 -9.059 -3.377 1.00 0.00 C ATOM 461 C ALA A 30 2.210 -8.971 -4.375 1.00 0.00 C ATOM 462 O ALA A 30 2.175 -8.083 -5.221 1.00 0.00 O ATOM 463 CB ALA A 30 4.665 -9.437 -4.083 1.00 0.00 C ATOM 0 H ALA A 30 3.665 -10.843 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 30 3.493 -8.070 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.862 -8.727 -4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.489 -9.417 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.571 -10.440 -4.500 1.00 0.00 H new ATOM 469 N SER A 31 1.265 -9.890 -4.272 1.00 0.00 N ATOM 470 CA SER A 31 0.118 -9.910 -5.166 1.00 0.00 C ATOM 471 C SER A 31 -0.761 -8.674 -4.960 1.00 0.00 C ATOM 472 O SER A 31 -1.253 -8.080 -5.923 1.00 0.00 O ATOM 473 CB SER A 31 -0.700 -11.190 -4.954 1.00 0.00 C ATOM 474 OG SER A 31 -1.813 -11.251 -5.835 1.00 0.00 O ATOM 0 H SER A 31 1.269 -10.635 -3.576 1.00 0.00 H new ATOM 0 HA SER A 31 0.487 -9.895 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.063 -12.060 -5.111 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.049 -11.233 -3.922 1.00 0.00 H new ATOM 0 HG SER A 31 -2.312 -12.079 -5.675 1.00 0.00 H new ATOM 480 N GLN A 32 -0.935 -8.273 -3.712 1.00 0.00 N ATOM 481 CA GLN A 32 -1.773 -7.125 -3.394 1.00 0.00 C ATOM 482 C GLN A 32 -1.007 -5.820 -3.558 1.00 0.00 C ATOM 483 O GLN A 32 -1.584 -4.737 -3.452 1.00 0.00 O ATOM 484 CB GLN A 32 -2.311 -7.225 -1.963 1.00 0.00 C ATOM 485 CG GLN A 32 -3.203 -8.430 -1.712 1.00 0.00 C ATOM 486 CD GLN A 32 -4.396 -8.478 -2.642 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.444 -7.906 -2.352 1.00 0.00 O ATOM 488 NE2 GLN A 32 -4.252 -9.175 -3.755 1.00 0.00 N ATOM 0 H GLN A 32 -0.509 -8.723 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.609 -7.129 -4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.468 -7.261 -1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.872 -6.319 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.617 -9.341 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.553 -8.409 -0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.364 -9.635 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.029 -9.253 -4.412 1.00 0.00 H new ATOM 497 N CYS A 33 0.281 -5.920 -3.844 1.00 0.00 N ATOM 498 CA CYS A 33 1.120 -4.738 -3.935 1.00 0.00 C ATOM 499 C CYS A 33 0.748 -3.879 -5.125 1.00 0.00 C ATOM 500 O CYS A 33 0.973 -2.682 -5.116 1.00 0.00 O ATOM 501 CB CYS A 33 2.602 -5.111 -3.998 1.00 0.00 C ATOM 502 SG CYS A 33 3.251 -5.374 -5.684 1.00 0.00 S ATOM 0 H CYS A 33 0.765 -6.801 -4.016 1.00 0.00 H new ATOM 0 HA CYS A 33 0.948 -4.157 -3.029 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.182 -4.322 -3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.759 -6.020 -3.417 1.00 0.00 H new ATOM 507 N LYS A 34 0.165 -4.491 -6.137 1.00 0.00 N ATOM 508 CA LYS A 34 -0.226 -3.774 -7.339 1.00 0.00 C ATOM 509 C LYS A 34 -1.226 -2.668 -7.017 1.00 0.00 C ATOM 510 O LYS A 34 -1.008 -1.501 -7.354 1.00 0.00 O ATOM 511 CB LYS A 34 -0.799 -4.740 -8.391 1.00 0.00 C ATOM 512 CG LYS A 34 0.257 -5.526 -9.169 1.00 0.00 C ATOM 513 CD LYS A 34 1.068 -6.446 -8.268 1.00 0.00 C ATOM 514 CE LYS A 34 2.254 -7.037 -9.010 1.00 0.00 C ATOM 515 NZ LYS A 34 3.064 -7.933 -8.141 1.00 0.00 N ATOM 0 H LYS A 34 -0.050 -5.488 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 34 0.667 -3.308 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.466 -5.445 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.404 -4.171 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.230 -6.117 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.928 -4.830 -9.673 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.420 -5.890 -7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.431 -7.249 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.898 -7.596 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.884 -6.231 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.051 -7.606 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.683 -7.916 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.025 -8.904 -8.512 1.00 0.00 H new ATOM 529 N LYS A 35 -2.295 -3.029 -6.327 1.00 0.00 N ATOM 530 CA LYS A 35 -3.329 -2.069 -5.986 1.00 0.00 C ATOM 531 C LYS A 35 -2.862 -1.137 -4.865 1.00 0.00 C ATOM 532 O LYS A 35 -3.096 0.071 -4.912 1.00 0.00 O ATOM 533 CB LYS A 35 -4.617 -2.792 -5.577 1.00 0.00 C ATOM 534 CG LYS A 35 -5.857 -1.905 -5.589 1.00 0.00 C ATOM 535 CD LYS A 35 -6.168 -1.413 -6.997 1.00 0.00 C ATOM 536 CE LYS A 35 -7.445 -0.593 -7.041 1.00 0.00 C ATOM 537 NZ LYS A 35 -7.755 -0.130 -8.417 1.00 0.00 N ATOM 0 H LYS A 35 -2.468 -3.977 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.533 -1.463 -6.869 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.778 -3.634 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.488 -3.205 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -6.709 -2.461 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.704 -1.052 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.337 -0.810 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.262 -2.267 -7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.274 -1.191 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.347 0.269 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.634 0.426 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.975 0.461 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.874 -0.953 -9.042 1.00 0.00 H new ATOM 551 N LEU A 36 -2.185 -1.702 -3.870 1.00 0.00 N ATOM 552 CA LEU A 36 -1.705 -0.923 -2.727 1.00 0.00 C ATOM 553 C LEU A 36 -0.666 0.123 -3.158 1.00 0.00 C ATOM 554 O LEU A 36 -0.751 1.295 -2.773 1.00 0.00 O ATOM 555 CB LEU A 36 -1.141 -1.850 -1.635 1.00 0.00 C ATOM 556 CG LEU A 36 -2.142 -2.850 -1.032 1.00 0.00 C ATOM 557 CD1 LEU A 36 -1.517 -3.617 0.117 1.00 0.00 C ATOM 558 CD2 LEU A 36 -3.394 -2.140 -0.571 1.00 0.00 C ATOM 0 H LEU A 36 -1.955 -2.695 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.555 -0.384 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.304 -2.409 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.741 -1.233 -0.830 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.414 -3.563 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.245 -4.317 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.647 -4.167 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.208 -2.919 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.089 -2.865 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.135 -1.401 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.863 -1.641 -1.419 1.00 0.00 H new ATOM 570 N ARG A 37 0.307 -0.289 -3.972 1.00 0.00 N ATOM 571 CA ARG A 37 1.324 0.642 -4.452 1.00 0.00 C ATOM 572 C ARG A 37 0.684 1.708 -5.331 1.00 0.00 C ATOM 573 O ARG A 37 1.056 2.874 -5.271 1.00 0.00 O ATOM 574 CB ARG A 37 2.444 -0.093 -5.214 1.00 0.00 C ATOM 575 CG ARG A 37 3.622 0.799 -5.588 1.00 0.00 C ATOM 576 CD ARG A 37 3.611 1.188 -7.059 1.00 0.00 C ATOM 577 NE ARG A 37 4.159 0.133 -7.922 1.00 0.00 N ATOM 578 CZ ARG A 37 4.177 0.187 -9.263 1.00 0.00 C ATOM 579 NH1 ARG A 37 3.597 1.197 -9.903 1.00 0.00 N ATOM 580 NH2 ARG A 37 4.760 -0.781 -9.958 1.00 0.00 N ATOM 0 H ARG A 37 0.411 -1.247 -4.308 1.00 0.00 H new ATOM 0 HA ARG A 37 1.778 1.125 -3.587 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.806 -0.919 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.027 -0.528 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.600 1.701 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.553 0.281 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.589 1.410 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.190 2.102 -7.195 1.00 0.00 H new ATOM 0 HE ARG A 37 4.551 -0.694 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.135 1.937 -9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.614 1.232 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.195 -1.566 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.774 -0.740 -10.977 1.00 0.00 H new ATOM 594 N SER A 38 -0.304 1.299 -6.127 1.00 0.00 N ATOM 595 CA SER A 38 -1.028 2.221 -6.997 1.00 0.00 C ATOM 596 C SER A 38 -1.694 3.322 -6.166 1.00 0.00 C ATOM 597 O SER A 38 -1.774 4.477 -6.588 1.00 0.00 O ATOM 598 CB SER A 38 -2.084 1.462 -7.813 1.00 0.00 C ATOM 599 OG SER A 38 -2.643 2.279 -8.828 1.00 0.00 O ATOM 0 H SER A 38 -0.621 0.331 -6.186 1.00 0.00 H new ATOM 0 HA SER A 38 -0.319 2.682 -7.684 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.631 0.579 -8.264 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.875 1.112 -7.150 1.00 0.00 H new ATOM 0 HG SER A 38 -3.310 1.766 -9.330 1.00 0.00 H new ATOM 605 N SER A 39 -2.144 2.952 -4.975 1.00 0.00 N ATOM 606 CA SER A 39 -2.784 3.884 -4.071 1.00 0.00 C ATOM 607 C SER A 39 -1.767 4.899 -3.541 1.00 0.00 C ATOM 608 O SER A 39 -2.076 6.079 -3.370 1.00 0.00 O ATOM 609 CB SER A 39 -3.422 3.119 -2.916 1.00 0.00 C ATOM 610 OG SER A 39 -4.278 2.090 -3.401 1.00 0.00 O ATOM 0 H SER A 39 -2.074 2.001 -4.614 1.00 0.00 H new ATOM 0 HA SER A 39 -3.559 4.428 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.644 2.685 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.991 3.806 -2.289 1.00 0.00 H new ATOM 0 HG SER A 39 -3.739 1.386 -3.819 1.00 0.00 H new ATOM 616 N PHE A 40 -0.550 4.432 -3.304 1.00 0.00 N ATOM 617 CA PHE A 40 0.529 5.284 -2.819 1.00 0.00 C ATOM 618 C PHE A 40 1.010 6.263 -3.900 1.00 0.00 C ATOM 619 O PHE A 40 1.508 7.348 -3.597 1.00 0.00 O ATOM 620 CB PHE A 40 1.691 4.422 -2.326 1.00 0.00 C ATOM 621 CG PHE A 40 1.674 4.173 -0.842 1.00 0.00 C ATOM 622 CD1 PHE A 40 0.557 3.644 -0.225 1.00 0.00 C ATOM 623 CD2 PHE A 40 2.779 4.478 -0.066 1.00 0.00 C ATOM 624 CE1 PHE A 40 0.540 3.426 1.140 1.00 0.00 C ATOM 625 CE2 PHE A 40 2.770 4.259 1.297 1.00 0.00 C ATOM 626 CZ PHE A 40 1.649 3.734 1.901 1.00 0.00 C ATOM 0 H PHE A 40 -0.282 3.457 -3.441 1.00 0.00 H new ATOM 0 HA PHE A 40 0.142 5.877 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.667 3.464 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.630 4.907 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.313 3.398 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.660 4.893 -0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.341 3.015 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.641 4.499 1.889 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.638 3.564 2.967 1.00 0.00 H new ATOM 636 N GLU A 41 0.830 5.885 -5.158 1.00 0.00 N ATOM 637 CA GLU A 41 1.263 6.709 -6.298 1.00 0.00 C ATOM 638 C GLU A 41 0.333 7.865 -6.532 1.00 0.00 C ATOM 639 O GLU A 41 0.583 8.713 -7.394 1.00 0.00 O ATOM 640 CB GLU A 41 1.296 5.882 -7.552 1.00 0.00 C ATOM 641 CG GLU A 41 2.195 4.693 -7.457 1.00 0.00 C ATOM 642 CD GLU A 41 2.283 3.923 -8.758 1.00 0.00 C ATOM 643 OE1 GLU A 41 2.947 4.398 -9.697 1.00 0.00 O ATOM 644 OE2 GLU A 41 1.695 2.829 -8.846 1.00 0.00 O ATOM 0 H GLU A 41 0.384 5.007 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 41 2.256 7.089 -6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.285 5.546 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.621 6.508 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.193 5.019 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.833 4.030 -6.671 1.00 0.00 H new ATOM 651 N SER A 42 -0.729 7.888 -5.780 1.00 0.00 N ATOM 652 CA SER A 42 -1.757 8.903 -5.929 1.00 0.00 C ATOM 653 C SER A 42 -1.159 10.300 -5.785 1.00 0.00 C ATOM 654 O SER A 42 -1.265 11.133 -6.690 1.00 0.00 O ATOM 655 CB SER A 42 -2.877 8.680 -4.902 1.00 0.00 C ATOM 656 OG SER A 42 -3.972 9.549 -5.133 1.00 0.00 O ATOM 0 H SER A 42 -0.916 7.208 -5.043 1.00 0.00 H new ATOM 0 HA SER A 42 -2.185 8.821 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.216 7.645 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.488 8.842 -3.897 1.00 0.00 H new ATOM 0 HG SER A 42 -4.457 9.694 -4.294 1.00 0.00 H new ATOM 662 N SER A 43 -0.540 10.559 -4.653 1.00 0.00 N ATOM 663 CA SER A 43 0.087 11.853 -4.412 1.00 0.00 C ATOM 664 C SER A 43 1.245 11.739 -3.421 1.00 0.00 C ATOM 665 O SER A 43 2.401 11.596 -3.807 1.00 0.00 O ATOM 666 CB SER A 43 -0.947 12.880 -3.920 1.00 0.00 C ATOM 667 OG SER A 43 -1.976 13.071 -4.876 1.00 0.00 O ATOM 0 H SER A 43 -0.454 9.896 -3.883 1.00 0.00 H new ATOM 0 HA SER A 43 0.494 12.201 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.380 12.541 -2.979 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.452 13.830 -3.720 1.00 0.00 H new ATOM 0 HG SER A 43 -1.782 12.540 -5.676 1.00 0.00 H new ATOM 673 N CYS A 44 0.899 11.759 -2.140 1.00 0.00 N ATOM 674 CA CYS A 44 1.861 11.700 -1.043 1.00 0.00 C ATOM 675 C CYS A 44 1.135 11.773 0.323 1.00 0.00 C ATOM 676 O CYS A 44 1.437 10.984 1.216 1.00 0.00 O ATOM 677 CB CYS A 44 2.934 12.810 -1.153 1.00 0.00 C ATOM 678 SG CYS A 44 3.916 13.065 0.370 1.00 0.00 S ATOM 0 H CYS A 44 -0.070 11.817 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 44 2.378 10.743 -1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.611 12.564 -1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.444 13.747 -1.416 1.00 0.00 H new ATOM 683 N PRO A 45 0.166 12.742 0.513 1.00 0.00 N ATOM 684 CA PRO A 45 -0.628 12.819 1.748 1.00 0.00 C ATOM 685 C PRO A 45 -1.277 11.479 2.084 1.00 0.00 C ATOM 686 O PRO A 45 -2.006 10.903 1.264 1.00 0.00 O ATOM 687 CB PRO A 45 -1.701 13.860 1.417 1.00 0.00 C ATOM 688 CG PRO A 45 -1.061 14.737 0.408 1.00 0.00 C ATOM 689 CD PRO A 45 -0.184 13.843 -0.420 1.00 0.00 C ATOM 0 HA PRO A 45 -0.020 13.079 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.602 13.391 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.996 14.422 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.810 15.231 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.476 15.522 0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.707 13.472 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 45 0.704 14.367 -0.774 1.00 0.00 H new ATOM 697 N GLN A 46 -1.015 10.999 3.289 1.00 0.00 N ATOM 698 CA GLN A 46 -1.503 9.703 3.729 1.00 0.00 C ATOM 699 C GLN A 46 -3.022 9.662 3.814 1.00 0.00 C ATOM 700 O GLN A 46 -3.616 8.605 3.661 1.00 0.00 O ATOM 701 CB GLN A 46 -0.896 9.332 5.078 1.00 0.00 C ATOM 702 CG GLN A 46 -1.252 7.932 5.529 1.00 0.00 C ATOM 703 CD GLN A 46 -0.649 7.557 6.865 1.00 0.00 C ATOM 704 OE1 GLN A 46 -0.447 8.402 7.734 1.00 0.00 O ATOM 705 NE2 GLN A 46 -0.356 6.282 7.035 1.00 0.00 N ATOM 0 H GLN A 46 -0.460 11.495 3.987 1.00 0.00 H new ATOM 0 HA GLN A 46 -1.193 8.973 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.189 9.422 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.234 10.045 5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.337 7.844 5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.917 7.220 4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.540 5.612 6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.054 5.966 7.914 1.00 0.00 H new ATOM 714 N GLN A 47 -3.641 10.807 4.050 1.00 0.00 N ATOM 715 CA GLN A 47 -5.094 10.872 4.162 1.00 0.00 C ATOM 716 C GLN A 47 -5.764 10.307 2.903 1.00 0.00 C ATOM 717 O GLN A 47 -6.584 9.387 2.980 1.00 0.00 O ATOM 718 CB GLN A 47 -5.552 12.310 4.398 1.00 0.00 C ATOM 719 CG GLN A 47 -7.025 12.428 4.751 1.00 0.00 C ATOM 720 CD GLN A 47 -7.492 13.862 4.852 1.00 0.00 C ATOM 721 OE1 GLN A 47 -6.983 14.743 4.162 1.00 0.00 O ATOM 722 NE2 GLN A 47 -8.460 14.104 5.705 1.00 0.00 N ATOM 0 H GLN A 47 -3.165 11.702 4.168 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.392 10.264 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.958 12.744 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.353 12.898 3.502 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.617 11.911 3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.208 11.924 5.700 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.854 13.343 6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -8.818 15.053 5.815 1.00 0.00 H new ATOM 731 N TRP A 48 -5.395 10.846 1.749 1.00 0.00 N ATOM 732 CA TRP A 48 -5.963 10.398 0.486 1.00 0.00 C ATOM 733 C TRP A 48 -5.429 9.016 0.122 1.00 0.00 C ATOM 734 O TRP A 48 -6.188 8.126 -0.278 1.00 0.00 O ATOM 735 CB TRP A 48 -5.640 11.399 -0.631 1.00 0.00 C ATOM 736 CG TRP A 48 -6.436 11.182 -1.883 1.00 0.00 C ATOM 737 CD1 TRP A 48 -6.201 10.261 -2.862 1.00 0.00 C ATOM 738 CD2 TRP A 48 -7.598 11.911 -2.293 1.00 0.00 C ATOM 739 NE1 TRP A 48 -7.150 10.367 -3.847 1.00 0.00 N ATOM 740 CE2 TRP A 48 -8.018 11.373 -3.521 1.00 0.00 C ATOM 741 CE3 TRP A 48 -8.327 12.965 -1.735 1.00 0.00 C ATOM 742 CZ2 TRP A 48 -9.134 11.851 -4.201 1.00 0.00 C ATOM 743 CZ3 TRP A 48 -9.431 13.439 -2.412 1.00 0.00 C ATOM 744 CH2 TRP A 48 -9.827 12.882 -3.632 1.00 0.00 C ATOM 0 H TRP A 48 -4.706 11.593 1.662 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.045 10.336 0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.823 12.409 -0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.579 11.333 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.386 9.552 -2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.200 9.789 -4.686 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.031 13.400 -0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -9.441 11.423 -5.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.000 14.255 -1.992 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.698 13.275 -4.135 1.00 0.00 H new ATOM 755 N ILE A 49 -4.121 8.843 0.282 1.00 0.00 N ATOM 756 CA ILE A 49 -3.462 7.590 -0.046 1.00 0.00 C ATOM 757 C ILE A 49 -4.042 6.421 0.730 1.00 0.00 C ATOM 758 O ILE A 49 -4.509 5.452 0.137 1.00 0.00 O ATOM 759 CB ILE A 49 -1.943 7.675 0.198 1.00 0.00 C ATOM 760 CG1 ILE A 49 -1.284 8.512 -0.898 1.00 0.00 C ATOM 761 CG2 ILE A 49 -1.317 6.290 0.280 1.00 0.00 C ATOM 762 CD1 ILE A 49 0.214 8.612 -0.767 1.00 0.00 C ATOM 0 H ILE A 49 -3.494 9.564 0.640 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.640 7.415 -1.107 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.775 8.163 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.527 8.079 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.709 9.516 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.245 6.385 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.769 5.734 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.488 5.757 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.610 9.221 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.466 9.073 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.651 7.614 -0.815 1.00 0.00 H new ATOM 774 N LYS A 50 -4.035 6.516 2.052 1.00 0.00 N ATOM 775 CA LYS A 50 -4.528 5.436 2.874 1.00 0.00 C ATOM 776 C LYS A 50 -6.015 5.259 2.730 1.00 0.00 C ATOM 777 O LYS A 50 -6.526 4.184 2.988 1.00 0.00 O ATOM 778 CB LYS A 50 -4.123 5.579 4.339 1.00 0.00 C ATOM 779 CG LYS A 50 -2.696 5.125 4.629 1.00 0.00 C ATOM 780 CD LYS A 50 -2.451 3.666 4.234 1.00 0.00 C ATOM 781 CE LYS A 50 -3.412 2.713 4.932 1.00 0.00 C ATOM 782 NZ LYS A 50 -3.097 1.296 4.631 1.00 0.00 N ATOM 0 H LYS A 50 -3.695 7.326 2.569 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.050 4.529 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.230 6.622 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.811 5.000 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.998 5.766 4.090 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.488 5.250 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.557 3.561 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.426 3.391 4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.366 2.875 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.433 2.933 4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.902 0.696 4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.915 1.190 3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.253 1.007 5.165 1.00 0.00 H new ATOM 796 N TYR A 51 -6.718 6.316 2.335 1.00 0.00 N ATOM 797 CA TYR A 51 -8.145 6.192 2.075 1.00 0.00 C ATOM 798 C TYR A 51 -8.389 5.167 0.967 1.00 0.00 C ATOM 799 O TYR A 51 -9.203 4.251 1.117 1.00 0.00 O ATOM 800 CB TYR A 51 -8.762 7.541 1.678 1.00 0.00 C ATOM 801 CG TYR A 51 -10.174 7.422 1.132 1.00 0.00 C ATOM 802 CD1 TYR A 51 -11.269 7.344 1.980 1.00 0.00 C ATOM 803 CD2 TYR A 51 -10.404 7.375 -0.241 1.00 0.00 C ATOM 804 CE1 TYR A 51 -12.552 7.223 1.477 1.00 0.00 C ATOM 805 CE2 TYR A 51 -11.680 7.257 -0.748 1.00 0.00 C ATOM 806 CZ TYR A 51 -12.749 7.182 0.113 1.00 0.00 C ATOM 807 OH TYR A 51 -14.021 7.058 -0.392 1.00 0.00 O ATOM 0 H TYR A 51 -6.332 7.249 2.191 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.624 5.857 2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.771 8.198 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -8.129 8.015 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -11.118 7.378 3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.567 7.432 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -13.395 7.161 2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.839 7.224 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 51 -13.984 7.046 -1.371 1.00 0.00 H new ATOM 817 N PHE A 52 -7.682 5.329 -0.145 1.00 0.00 N ATOM 818 CA PHE A 52 -7.827 4.427 -1.273 1.00 0.00 C ATOM 819 C PHE A 52 -7.147 3.087 -0.989 1.00 0.00 C ATOM 820 O PHE A 52 -7.722 2.025 -1.236 1.00 0.00 O ATOM 821 CB PHE A 52 -7.272 5.061 -2.551 1.00 0.00 C ATOM 822 CG PHE A 52 -7.639 4.306 -3.797 1.00 0.00 C ATOM 823 CD1 PHE A 52 -6.674 3.649 -4.536 1.00 0.00 C ATOM 824 CD2 PHE A 52 -8.958 4.247 -4.219 1.00 0.00 C ATOM 825 CE1 PHE A 52 -7.014 2.949 -5.675 1.00 0.00 C ATOM 826 CE2 PHE A 52 -9.304 3.549 -5.357 1.00 0.00 C ATOM 827 CZ PHE A 52 -8.331 2.898 -6.085 1.00 0.00 C ATOM 0 H PHE A 52 -7.004 6.077 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.890 4.240 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.642 6.083 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.186 5.120 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.642 3.684 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.724 4.753 -3.650 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.250 2.441 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.335 3.512 -5.677 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.599 2.349 -6.975 1.00 0.00 H new ATOM 837 N ASP A 53 -5.930 3.158 -0.446 1.00 0.00 N ATOM 838 CA ASP A 53 -5.138 1.968 -0.087 1.00 0.00 C ATOM 839 C ASP A 53 -5.941 1.054 0.839 1.00 0.00 C ATOM 840 O ASP A 53 -5.882 -0.158 0.724 1.00 0.00 O ATOM 841 CB ASP A 53 -3.819 2.415 0.593 1.00 0.00 C ATOM 842 CG ASP A 53 -2.916 1.275 1.065 1.00 0.00 C ATOM 843 OD1 ASP A 53 -3.199 0.703 2.130 1.00 0.00 O ATOM 844 OD2 ASP A 53 -1.882 0.999 0.404 1.00 0.00 O ATOM 0 H ASP A 53 -5.461 4.040 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.899 1.406 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.259 3.036 -0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.064 3.043 1.450 1.00 0.00 H new ATOM 849 N LYS A 54 -6.739 1.671 1.718 1.00 0.00 N ATOM 850 CA LYS A 54 -7.566 0.957 2.702 1.00 0.00 C ATOM 851 C LYS A 54 -8.520 -0.059 2.053 1.00 0.00 C ATOM 852 O LYS A 54 -8.933 -1.025 2.700 1.00 0.00 O ATOM 853 CB LYS A 54 -8.377 1.966 3.533 1.00 0.00 C ATOM 854 CG LYS A 54 -9.218 1.364 4.661 1.00 0.00 C ATOM 855 CD LYS A 54 -8.414 1.137 5.951 1.00 0.00 C ATOM 856 CE LYS A 54 -7.443 -0.035 5.850 1.00 0.00 C ATOM 857 NZ LYS A 54 -8.111 -1.287 5.402 1.00 0.00 N ATOM 0 H LYS A 54 -6.831 2.686 1.768 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.885 0.398 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.688 2.692 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.039 2.514 2.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.058 2.025 4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.637 0.414 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.857 2.043 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.104 0.960 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.644 0.217 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.977 -0.202 6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.475 -2.095 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.987 -1.427 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.339 -1.216 4.390 1.00 0.00 H new ATOM 871 N ARG A 55 -8.854 0.157 0.784 1.00 0.00 N ATOM 872 CA ARG A 55 -9.802 -0.706 0.072 1.00 0.00 C ATOM 873 C ARG A 55 -9.256 -2.138 -0.041 1.00 0.00 C ATOM 874 O ARG A 55 -9.911 -3.094 0.368 1.00 0.00 O ATOM 875 CB ARG A 55 -10.069 -0.119 -1.324 1.00 0.00 C ATOM 876 CG ARG A 55 -11.511 -0.249 -1.836 1.00 0.00 C ATOM 877 CD ARG A 55 -11.854 -1.662 -2.286 1.00 0.00 C ATOM 878 NE ARG A 55 -12.431 -2.480 -1.217 1.00 0.00 N ATOM 879 CZ ARG A 55 -13.127 -3.602 -1.437 1.00 0.00 C ATOM 880 NH1 ARG A 55 -13.319 -4.032 -2.681 1.00 0.00 N ATOM 881 NH2 ARG A 55 -13.630 -4.289 -0.417 1.00 0.00 N ATOM 0 H ARG A 55 -8.483 0.924 0.223 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.736 -0.749 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.801 0.938 -1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.404 -0.607 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.200 0.053 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.659 0.438 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.557 -1.612 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.952 -2.147 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.295 -2.178 -0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.936 -3.507 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.849 -4.887 -2.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.486 -3.962 0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.160 -5.143 -0.589 1.00 0.00 H new ATOM 895 N ARG A 56 -8.056 -2.269 -0.586 1.00 0.00 N ATOM 896 CA ARG A 56 -7.407 -3.577 -0.740 1.00 0.00 C ATOM 897 C ARG A 56 -6.267 -3.740 0.250 1.00 0.00 C ATOM 898 O ARG A 56 -5.430 -4.633 0.104 1.00 0.00 O ATOM 899 CB ARG A 56 -6.891 -3.755 -2.170 1.00 0.00 C ATOM 900 CG ARG A 56 -7.862 -4.474 -3.092 1.00 0.00 C ATOM 901 CD ARG A 56 -7.993 -5.944 -2.714 1.00 0.00 C ATOM 902 NE ARG A 56 -8.905 -6.660 -3.602 1.00 0.00 N ATOM 903 CZ ARG A 56 -8.764 -7.938 -3.967 1.00 0.00 C ATOM 904 NH1 ARG A 56 -7.739 -8.655 -3.529 1.00 0.00 N ATOM 905 NH2 ARG A 56 -9.653 -8.494 -4.771 1.00 0.00 N ATOM 0 H ARG A 56 -7.503 -1.485 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.152 -4.346 -0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.666 -2.774 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.954 -4.311 -2.141 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.839 -3.994 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.519 -4.390 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.011 -6.415 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.350 -6.024 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.707 -6.148 -3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.049 -8.232 -2.908 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.640 -9.630 -3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.444 -7.948 -5.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.548 -9.469 -5.051 1.00 0.00 H new ATOM 919 N ASP A 57 -6.248 -2.871 1.250 1.00 0.00 N ATOM 920 CA ASP A 57 -5.190 -2.833 2.264 1.00 0.00 C ATOM 921 C ASP A 57 -4.968 -4.184 2.904 1.00 0.00 C ATOM 922 O ASP A 57 -5.815 -4.689 3.648 1.00 0.00 O ATOM 923 CB ASP A 57 -5.524 -1.805 3.322 1.00 0.00 C ATOM 924 CG ASP A 57 -4.410 -1.581 4.309 1.00 0.00 C ATOM 925 OD1 ASP A 57 -3.366 -2.256 4.210 1.00 0.00 O ATOM 926 OD2 ASP A 57 -4.574 -0.708 5.192 1.00 0.00 O ATOM 0 H ASP A 57 -6.970 -2.164 1.387 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.264 -2.553 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.765 -0.859 2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.417 -2.124 3.859 1.00 0.00 H new ATOM 931 N TYR A 58 -3.841 -4.774 2.583 1.00 0.00 N ATOM 932 CA TYR A 58 -3.488 -6.067 3.090 1.00 0.00 C ATOM 933 C TYR A 58 -2.197 -6.009 3.933 1.00 0.00 C ATOM 934 O TYR A 58 -2.208 -6.297 5.126 1.00 0.00 O ATOM 935 CB TYR A 58 -3.347 -7.014 1.917 1.00 0.00 C ATOM 936 CG TYR A 58 -3.298 -8.466 2.282 1.00 0.00 C ATOM 937 CD1 TYR A 58 -4.368 -9.076 2.913 1.00 0.00 C ATOM 938 CD2 TYR A 58 -2.194 -9.229 1.979 1.00 0.00 C ATOM 939 CE1 TYR A 58 -4.333 -10.418 3.236 1.00 0.00 C ATOM 940 CE2 TYR A 58 -2.140 -10.567 2.297 1.00 0.00 C ATOM 941 CZ TYR A 58 -3.215 -11.160 2.926 1.00 0.00 C ATOM 942 OH TYR A 58 -3.175 -12.498 3.240 1.00 0.00 O ATOM 0 H TYR A 58 -3.145 -4.364 1.960 1.00 0.00 H new ATOM 0 HA TYR A 58 -4.271 -6.427 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.183 -6.853 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.438 -6.761 1.371 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.244 -8.493 3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.353 -8.769 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.175 -10.882 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.262 -11.148 2.056 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.317 -12.876 2.953 1.00 0.00 H new ATOM 952 N LEU A 59 -1.081 -5.669 3.294 1.00 0.00 N ATOM 953 CA LEU A 59 0.205 -5.549 4.005 1.00 0.00 C ATOM 954 C LEU A 59 0.357 -4.212 4.706 1.00 0.00 C ATOM 955 O LEU A 59 1.040 -4.105 5.719 1.00 0.00 O ATOM 956 CB LEU A 59 1.382 -5.746 3.060 1.00 0.00 C ATOM 957 CG LEU A 59 1.926 -7.162 2.939 1.00 0.00 C ATOM 958 CD1 LEU A 59 0.885 -8.093 2.364 1.00 0.00 C ATOM 959 CD2 LEU A 59 3.163 -7.162 2.088 1.00 0.00 C ATOM 0 H LEU A 59 -1.032 -5.472 2.294 1.00 0.00 H new ATOM 0 HA LEU A 59 0.204 -6.337 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.083 -5.410 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.194 -5.095 3.386 1.00 0.00 H new ATOM 0 HG LEU A 59 2.182 -7.523 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.299 -9.099 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.011 -8.108 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.593 -7.745 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.548 -8.179 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.921 -6.783 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.919 -6.524 2.545 1.00 0.00 H new ATOM 971 N LYS A 60 -0.259 -3.202 4.148 1.00 0.00 N ATOM 972 CA LYS A 60 -0.107 -1.835 4.635 1.00 0.00 C ATOM 973 C LYS A 60 -0.683 -1.653 6.060 1.00 0.00 C ATOM 974 O LYS A 60 -0.100 -0.947 6.880 1.00 0.00 O ATOM 975 CB LYS A 60 -0.759 -0.858 3.645 1.00 0.00 C ATOM 976 CG LYS A 60 -0.040 0.487 3.493 1.00 0.00 C ATOM 977 CD LYS A 60 1.381 0.324 2.942 1.00 0.00 C ATOM 978 CE LYS A 60 1.406 -0.375 1.572 1.00 0.00 C ATOM 979 NZ LYS A 60 0.808 0.453 0.483 1.00 0.00 N ATOM 0 H LYS A 60 -0.881 -3.292 3.345 1.00 0.00 H new ATOM 0 HA LYS A 60 0.959 -1.618 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.812 -1.337 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.784 -0.671 3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.614 1.131 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.002 0.986 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.848 1.305 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.978 -0.251 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.437 -0.617 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.865 -1.319 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.169 0.130 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.227 0.356 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.065 1.451 0.624 1.00 0.00 H new ATOM 993 N PHE A 61 -1.817 -2.286 6.341 1.00 0.00 N ATOM 994 CA PHE A 61 -2.450 -2.178 7.663 1.00 0.00 C ATOM 995 C PHE A 61 -1.839 -3.151 8.658 1.00 0.00 C ATOM 996 O PHE A 61 -2.062 -3.036 9.864 1.00 0.00 O ATOM 997 CB PHE A 61 -3.981 -2.397 7.579 1.00 0.00 C ATOM 998 CG PHE A 61 -4.439 -3.843 7.652 1.00 0.00 C ATOM 999 CD1 PHE A 61 -4.899 -4.369 8.854 1.00 0.00 C ATOM 1000 CD2 PHE A 61 -4.424 -4.668 6.531 1.00 0.00 C ATOM 1001 CE1 PHE A 61 -5.330 -5.677 8.938 1.00 0.00 C ATOM 1002 CE2 PHE A 61 -4.856 -5.981 6.618 1.00 0.00 C ATOM 1003 CZ PHE A 61 -5.308 -6.483 7.821 1.00 0.00 C ATOM 0 H PHE A 61 -2.319 -2.878 5.679 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.265 -1.164 8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.455 -1.843 8.389 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.341 -1.967 6.645 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.919 -3.745 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.073 -4.281 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.685 -6.069 9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.839 -6.613 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.644 -7.507 7.887 1.00 0.00 H new