USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 621 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 16 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00221) USER MOD Single : A 18 GLN : amide:sc= -2.32! C(o=-2.3!,f=-3.3!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.939 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -160:sc= 0.208 USER MOD Single : A 36 SER OG : rot 32:sc= -0.476 USER MOD Single : A 41 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.81) USER MOD Single : A 45 SER OG : rot 12:sc= 0.698 USER MOD Single : A 55 GLN : amide:sc= -3.42! K(o=-3.4!,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot -146:sc= 0.942 USER MOD Single : A 62 GLN : amide:sc= -0.537 K(o=-0.54,f=-5.2!) USER MOD Single : A 64 ASN : amide:sc= -1.95 X(o=-1.9,f=-1.5) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc=-0.000477 USER MOD Single : A 78 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.3) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N GLY A 14 10.374 -1.164 10.609 1.00 0.00 N ATOM 144 CA GLY A 14 9.301 -0.705 9.746 1.00 0.00 C ATOM 145 C GLY A 14 8.016 -0.445 10.507 1.00 0.00 C ATOM 146 O GLY A 14 7.830 -0.951 11.613 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.612 0.209 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.117 -1.450 8.972 1.00 0.00 H new ATOM 150 N GLU A 15 7.129 0.349 9.915 1.00 0.00 N ATOM 151 CA GLU A 15 5.857 0.677 10.547 1.00 0.00 C ATOM 152 C GLU A 15 4.725 0.678 9.523 1.00 0.00 C ATOM 153 O GLU A 15 4.949 0.902 8.333 1.00 0.00 O ATOM 154 CB GLU A 15 5.940 2.043 11.232 1.00 0.00 C ATOM 155 CG GLU A 15 6.414 3.157 10.314 1.00 0.00 C ATOM 156 CD GLU A 15 6.324 4.525 10.963 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.541 4.676 11.924 1.00 0.00 O ATOM 158 OE2 GLU A 15 7.038 5.444 10.509 1.00 0.00 O ATOM 0 H GLU A 15 7.268 0.776 8.999 1.00 0.00 H new ATOM 0 HA GLU A 15 5.646 -0.086 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.958 2.302 11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.617 1.972 12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.446 2.966 10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.816 3.151 9.403 1.00 0.00 H new ATOM 165 N LYS A 16 3.509 0.427 9.994 1.00 0.00 N ATOM 166 CA LYS A 16 2.340 0.399 9.122 1.00 0.00 C ATOM 167 C LYS A 16 1.951 1.809 8.690 1.00 0.00 C ATOM 168 O LYS A 16 1.526 2.625 9.508 1.00 0.00 O ATOM 169 CB LYS A 16 1.163 -0.271 9.835 1.00 0.00 C ATOM 170 CG LYS A 16 1.259 -1.786 9.875 1.00 0.00 C ATOM 171 CD LYS A 16 -0.022 -2.412 10.400 1.00 0.00 C ATOM 172 CE LYS A 16 0.230 -3.798 10.975 1.00 0.00 C ATOM 173 NZ LYS A 16 0.826 -3.733 12.338 1.00 0.00 N ATOM 0 H LYS A 16 3.306 0.240 10.976 1.00 0.00 H new ATOM 0 HA LYS A 16 2.594 -0.178 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.104 0.108 10.855 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.237 0.013 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.467 -2.165 8.874 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.096 -2.082 10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.453 -1.771 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.753 -2.479 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.709 -4.351 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.897 -4.350 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.360 -4.605 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.466 -2.915 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.069 -3.633 13.044 1.00 0.00 H new ATOM 187 N LEU A 17 2.097 2.088 7.399 1.00 0.00 N ATOM 188 CA LEU A 17 1.758 3.399 6.857 1.00 0.00 C ATOM 189 C LEU A 17 0.695 3.281 5.770 1.00 0.00 C ATOM 190 O LEU A 17 0.802 2.446 4.872 1.00 0.00 O ATOM 191 CB LEU A 17 3.008 4.077 6.292 1.00 0.00 C ATOM 192 CG LEU A 17 4.196 4.197 7.247 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.506 4.169 6.476 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.089 5.470 8.075 1.00 0.00 C ATOM 0 H LEU A 17 2.448 1.424 6.709 1.00 0.00 H new ATOM 0 HA LEU A 17 1.356 4.007 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.331 3.523 5.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.734 5.077 5.957 1.00 0.00 H new ATOM 0 HG LEU A 17 4.179 3.344 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.340 4.256 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.586 3.230 5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.532 5.002 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.943 5.539 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.079 6.335 7.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.168 5.449 8.657 1.00 0.00 H new ATOM 206 N GLN A 18 -0.329 4.124 5.857 1.00 0.00 N ATOM 207 CA GLN A 18 -1.411 4.114 4.879 1.00 0.00 C ATOM 208 C GLN A 18 -1.222 5.221 3.847 1.00 0.00 C ATOM 209 O GLN A 18 -0.772 6.319 4.176 1.00 0.00 O ATOM 210 CB GLN A 18 -2.761 4.278 5.579 1.00 0.00 C ATOM 211 CG GLN A 18 -3.949 3.915 4.703 1.00 0.00 C ATOM 212 CD GLN A 18 -5.163 3.499 5.510 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.566 2.336 5.492 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.754 4.450 6.224 1.00 0.00 N ATOM 0 H GLN A 18 -0.432 4.822 6.594 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.392 3.154 4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.775 3.654 6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.866 5.311 5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.209 4.769 4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.667 3.103 4.033 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.386 5.401 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.576 4.229 6.787 1.00 0.00 H new ATOM 223 N ILE A 19 -1.568 4.925 2.599 1.00 0.00 N ATOM 224 CA ILE A 19 -1.437 5.896 1.520 1.00 0.00 C ATOM 225 C ILE A 19 -2.756 6.072 0.775 1.00 0.00 C ATOM 226 O ILE A 19 -3.357 5.100 0.314 1.00 0.00 O ATOM 227 CB ILE A 19 -0.346 5.479 0.517 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.967 5.194 1.249 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.149 6.563 -0.532 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.537 6.400 1.961 1.00 0.00 C ATOM 0 H ILE A 19 -1.941 4.021 2.310 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.154 6.842 1.980 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.665 4.567 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.803 4.398 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.701 4.826 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.625 6.254 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.083 6.723 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.152 7.490 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.467 6.123 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.733 7.191 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.822 6.756 2.703 1.00 0.00 H new ATOM 242 N THR A 20 -3.203 7.318 0.658 1.00 0.00 N ATOM 243 CA THR A 20 -4.450 7.622 -0.031 1.00 0.00 C ATOM 244 C THR A 20 -4.190 8.365 -1.337 1.00 0.00 C ATOM 245 O THR A 20 -3.793 9.531 -1.329 1.00 0.00 O ATOM 246 CB THR A 20 -5.388 8.469 0.850 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.562 7.841 2.125 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.742 8.651 0.181 1.00 0.00 C ATOM 0 H THR A 20 -2.719 8.134 1.032 1.00 0.00 H new ATOM 0 HA THR A 20 -4.931 6.668 -0.248 1.00 0.00 H new ATOM 0 HB THR A 20 -4.933 9.450 0.987 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.158 8.386 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.387 9.252 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.610 9.155 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.201 7.676 0.017 1.00 0.00 H new ATOM 256 N ILE A 21 -4.417 7.684 -2.455 1.00 0.00 N ATOM 257 CA ILE A 21 -4.208 8.282 -3.768 1.00 0.00 C ATOM 258 C ILE A 21 -5.515 8.823 -4.339 1.00 0.00 C ATOM 259 O ILE A 21 -6.444 8.065 -4.617 1.00 0.00 O ATOM 260 CB ILE A 21 -3.609 7.267 -4.759 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.276 6.732 -4.232 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.425 7.908 -6.127 1.00 0.00 C ATOM 263 CD1 ILE A 21 -1.561 5.824 -5.208 1.00 0.00 C ATOM 0 H ILE A 21 -4.745 6.719 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.505 9.104 -3.633 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.300 6.430 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.627 7.573 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.453 6.187 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.001 7.178 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.391 8.245 -6.504 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.751 8.761 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.624 5.482 -4.768 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.191 4.964 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.352 6.371 -6.127 1.00 0.00 H new ATOM 275 N ARG A 22 -5.577 10.139 -4.513 1.00 0.00 N ATOM 276 CA ARG A 22 -6.769 10.782 -5.053 1.00 0.00 C ATOM 277 C ARG A 22 -6.782 10.714 -6.577 1.00 0.00 C ATOM 278 O ARG A 22 -5.845 11.166 -7.236 1.00 0.00 O ATOM 279 CB ARG A 22 -6.839 12.241 -4.596 1.00 0.00 C ATOM 280 CG ARG A 22 -8.255 12.784 -4.505 1.00 0.00 C ATOM 281 CD ARG A 22 -8.305 14.079 -3.710 1.00 0.00 C ATOM 282 NE ARG A 22 -9.615 14.297 -3.101 1.00 0.00 N ATOM 283 CZ ARG A 22 -9.926 15.377 -2.393 1.00 0.00 C ATOM 284 NH1 ARG A 22 -9.025 16.332 -2.205 1.00 0.00 N ATOM 285 NH2 ARG A 22 -11.139 15.504 -1.871 1.00 0.00 N ATOM 0 H ARG A 22 -4.816 10.780 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.641 10.248 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.361 12.330 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.266 12.858 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.645 12.956 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.901 12.042 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.543 14.056 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.066 14.916 -4.366 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.330 13.580 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.091 16.238 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.266 17.161 -1.661 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.835 14.772 -2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.376 16.334 -1.328 1.00 0.00 H new ATOM 299 N ARG A 23 -7.848 10.147 -7.130 1.00 0.00 N ATOM 300 CA ARG A 23 -7.982 10.018 -8.576 1.00 0.00 C ATOM 301 C ARG A 23 -7.929 11.386 -9.251 1.00 0.00 C ATOM 302 O ARG A 23 -8.895 12.147 -9.211 1.00 0.00 O ATOM 303 CB ARG A 23 -9.294 9.314 -8.928 1.00 0.00 C ATOM 304 CG ARG A 23 -9.571 9.254 -10.421 1.00 0.00 C ATOM 305 CD ARG A 23 -10.947 8.674 -10.710 1.00 0.00 C ATOM 306 NE ARG A 23 -10.900 7.228 -10.907 1.00 0.00 N ATOM 307 CZ ARG A 23 -11.980 6.454 -10.930 1.00 0.00 C ATOM 308 NH1 ARG A 23 -13.184 6.985 -10.768 1.00 0.00 N ATOM 309 NH2 ARG A 23 -11.856 5.146 -11.115 1.00 0.00 N ATOM 0 H ARG A 23 -8.632 9.769 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.148 9.419 -8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.270 8.299 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.117 9.830 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.501 10.255 -10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.809 8.646 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.619 8.906 -9.884 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.361 9.148 -11.600 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.989 6.788 -11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.283 7.990 -10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.011 6.388 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.931 4.734 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.685 4.553 -11.133 1.00 0.00 H new ATOM 371 N PHE A 28 -5.189 6.662 -10.938 1.00 0.00 N ATOM 372 CA PHE A 28 -4.552 6.950 -9.658 1.00 0.00 C ATOM 373 C PHE A 28 -3.105 7.391 -9.857 1.00 0.00 C ATOM 374 O PHE A 28 -2.726 8.501 -9.488 1.00 0.00 O ATOM 375 CB PHE A 28 -4.602 5.719 -8.750 1.00 0.00 C ATOM 376 CG PHE A 28 -5.997 5.301 -8.384 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.746 6.047 -7.489 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.560 4.161 -8.936 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.030 5.664 -7.150 1.00 0.00 C ATOM 380 CE2 PHE A 28 -7.844 3.773 -8.601 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.580 4.526 -7.708 1.00 0.00 C ATOM 0 HA PHE A 28 -5.099 7.765 -9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.102 4.889 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.042 5.927 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.322 6.938 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.989 3.569 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.603 6.254 -6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.271 2.882 -9.037 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.584 4.226 -7.446 1.00 0.00 H new ATOM 391 N GLY A 29 -2.300 6.510 -10.444 1.00 0.00 N ATOM 392 CA GLY A 29 -0.903 6.825 -10.682 1.00 0.00 C ATOM 393 C GLY A 29 0.004 5.628 -10.475 1.00 0.00 C ATOM 394 O GLY A 29 0.841 5.321 -11.325 1.00 0.00 O ATOM 0 H GLY A 29 -2.590 5.584 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.785 7.194 -11.701 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.596 7.630 -10.014 1.00 0.00 H new ATOM 398 N PHE A 30 -0.160 4.952 -9.343 1.00 0.00 N ATOM 399 CA PHE A 30 0.654 3.783 -9.027 1.00 0.00 C ATOM 400 C PHE A 30 -0.013 2.505 -9.526 1.00 0.00 C ATOM 401 O PHE A 30 -1.240 2.407 -9.571 1.00 0.00 O ATOM 402 CB PHE A 30 0.888 3.693 -7.517 1.00 0.00 C ATOM 403 CG PHE A 30 -0.167 2.907 -6.792 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.509 3.204 -6.963 1.00 0.00 C ATOM 405 CD2 PHE A 30 0.184 1.872 -5.941 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.482 2.483 -6.296 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.784 1.147 -5.272 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.119 1.453 -5.451 1.00 0.00 C ATOM 0 H PHE A 30 -0.848 5.193 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 30 1.614 3.892 -9.532 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.860 3.235 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.928 4.701 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.798 4.007 -7.624 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.227 1.629 -5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.525 2.725 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.497 0.343 -4.611 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.878 0.887 -4.931 1.00 0.00 H new ATOM 418 N THR A 31 0.805 1.526 -9.902 1.00 0.00 N ATOM 419 CA THR A 31 0.296 0.255 -10.401 1.00 0.00 C ATOM 420 C THR A 31 0.480 -0.853 -9.370 1.00 0.00 C ATOM 421 O THR A 31 1.307 -0.740 -8.464 1.00 0.00 O ATOM 422 CB THR A 31 0.996 -0.157 -11.709 1.00 0.00 C ATOM 423 OG1 THR A 31 0.976 0.933 -12.639 1.00 0.00 O ATOM 424 CG2 THR A 31 0.319 -1.370 -12.328 1.00 0.00 C ATOM 0 H THR A 31 1.823 1.590 -9.870 1.00 0.00 H new ATOM 0 HA THR A 31 -0.767 0.395 -10.595 1.00 0.00 H new ATOM 0 HB THR A 31 2.028 -0.418 -11.476 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.424 0.664 -13.468 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.832 -1.641 -13.251 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.361 -2.206 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.722 -1.133 -12.548 1.00 0.00 H new ATOM 432 N ILE A 32 -0.294 -1.923 -9.513 1.00 0.00 N ATOM 433 CA ILE A 32 -0.215 -3.052 -8.595 1.00 0.00 C ATOM 434 C ILE A 32 -0.671 -4.342 -9.268 1.00 0.00 C ATOM 435 O ILE A 32 -1.774 -4.415 -9.810 1.00 0.00 O ATOM 436 CB ILE A 32 -1.068 -2.814 -7.335 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.462 -2.317 -7.723 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.383 -1.819 -6.411 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.544 -2.728 -6.749 1.00 0.00 C ATOM 0 H ILE A 32 -0.984 -2.032 -10.257 1.00 0.00 H new ATOM 0 HA ILE A 32 0.831 -3.148 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.175 -3.759 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.444 -1.230 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.712 -2.698 -8.713 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.999 -1.662 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.590 -2.210 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.248 -0.871 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.505 -2.341 -7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.590 -3.816 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.318 -2.324 -5.762 1.00 0.00 H new ATOM 451 N CYS A 33 0.184 -5.358 -9.228 1.00 0.00 N ATOM 452 CA CYS A 33 -0.131 -6.647 -9.833 1.00 0.00 C ATOM 453 C CYS A 33 0.608 -7.776 -9.123 1.00 0.00 C ATOM 454 O CYS A 33 1.837 -7.771 -9.038 1.00 0.00 O ATOM 455 CB CYS A 33 0.232 -6.638 -11.319 1.00 0.00 C ATOM 456 SG CYS A 33 -0.042 -8.218 -12.155 1.00 0.00 S ATOM 0 H CYS A 33 1.101 -5.314 -8.783 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.203 -6.818 -9.729 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.354 -5.867 -11.820 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.281 -6.360 -11.424 1.00 0.00 H new ATOM 0 HG CYS A 33 0.292 -8.110 -13.407 1.00 0.00 H new ATOM 462 N CYS A 34 -0.148 -8.742 -8.614 1.00 0.00 N ATOM 463 CA CYS A 34 0.435 -9.878 -7.908 1.00 0.00 C ATOM 464 C CYS A 34 -0.645 -10.874 -7.496 1.00 0.00 C ATOM 465 O CYS A 34 -1.815 -10.716 -7.843 1.00 0.00 O ATOM 466 CB CYS A 34 1.202 -9.400 -6.675 1.00 0.00 C ATOM 467 SG CYS A 34 2.632 -10.423 -6.253 1.00 0.00 S ATOM 0 H CYS A 34 -1.166 -8.762 -8.677 1.00 0.00 H new ATOM 0 HA CYS A 34 1.127 -10.379 -8.585 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.538 -8.377 -6.843 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.522 -9.376 -5.824 1.00 0.00 H new ATOM 0 HG CYS A 34 2.959 -10.220 -5.011 1.00 0.00 H new ATOM 473 N ASP A 35 -0.243 -11.900 -6.755 1.00 0.00 N ATOM 474 CA ASP A 35 -1.175 -12.923 -6.295 1.00 0.00 C ATOM 475 C ASP A 35 -1.203 -12.988 -4.771 1.00 0.00 C ATOM 476 O ASP A 35 -0.157 -12.999 -4.121 1.00 0.00 O ATOM 477 CB ASP A 35 -0.792 -14.288 -6.869 1.00 0.00 C ATOM 478 CG ASP A 35 0.707 -14.447 -7.033 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.394 -14.686 -6.018 1.00 0.00 O ATOM 480 OD2 ASP A 35 1.193 -14.333 -8.178 1.00 0.00 O ATOM 0 H ASP A 35 0.722 -12.046 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.171 -12.656 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.168 -15.073 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.277 -14.421 -7.836 1.00 0.00 H new ATOM 485 N SER A 36 -2.406 -13.029 -4.207 1.00 0.00 N ATOM 486 CA SER A 36 -2.570 -13.087 -2.759 1.00 0.00 C ATOM 487 C SER A 36 -1.413 -13.842 -2.112 1.00 0.00 C ATOM 488 O SER A 36 -1.164 -15.013 -2.398 1.00 0.00 O ATOM 489 CB SER A 36 -3.896 -13.761 -2.402 1.00 0.00 C ATOM 490 OG SER A 36 -3.991 -15.046 -2.991 1.00 0.00 O ATOM 0 H SER A 36 -3.281 -13.023 -4.731 1.00 0.00 H new ATOM 0 HA SER A 36 -2.575 -12.066 -2.377 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.984 -13.847 -1.319 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.726 -13.140 -2.741 1.00 0.00 H new ATOM 0 HG SER A 36 -3.097 -15.442 -3.057 1.00 0.00 H new ATOM 496 N PRO A 37 -0.688 -13.155 -1.216 1.00 0.00 N ATOM 497 CA PRO A 37 -0.975 -11.760 -0.867 1.00 0.00 C ATOM 498 C PRO A 37 -0.655 -10.800 -2.008 1.00 0.00 C ATOM 499 O PRO A 37 0.253 -11.044 -2.802 1.00 0.00 O ATOM 500 CB PRO A 37 -0.054 -11.497 0.327 1.00 0.00 C ATOM 501 CG PRO A 37 1.067 -12.464 0.162 1.00 0.00 C ATOM 502 CD PRO A 37 0.468 -13.687 -0.475 1.00 0.00 C ATOM 0 HA PRO A 37 -2.032 -11.603 -0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.307 -10.469 0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.576 -11.653 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.855 -12.045 -0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.518 -12.706 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.177 -14.183 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.164 -14.421 0.272 1.00 0.00 H new ATOM 510 N VAL A 38 -1.408 -9.707 -2.084 1.00 0.00 N ATOM 511 CA VAL A 38 -1.204 -8.709 -3.127 1.00 0.00 C ATOM 512 C VAL A 38 -0.022 -7.804 -2.798 1.00 0.00 C ATOM 513 O VAL A 38 0.228 -7.490 -1.634 1.00 0.00 O ATOM 514 CB VAL A 38 -2.460 -7.841 -3.327 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.264 -6.877 -4.487 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.682 -8.719 -3.554 1.00 0.00 C ATOM 0 H VAL A 38 -2.165 -9.490 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.997 -9.253 -4.049 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.624 -7.255 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.162 -6.272 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.414 -6.226 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.075 -7.441 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.561 -8.090 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.530 -9.332 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.832 -9.365 -2.689 1.00 0.00 H new ATOM 526 N ARG A 39 0.703 -7.387 -3.831 1.00 0.00 N ATOM 527 CA ARG A 39 1.860 -6.518 -3.652 1.00 0.00 C ATOM 528 C ARG A 39 1.834 -5.366 -4.651 1.00 0.00 C ATOM 529 O ARG A 39 0.951 -5.290 -5.505 1.00 0.00 O ATOM 530 CB ARG A 39 3.154 -7.317 -3.811 1.00 0.00 C ATOM 531 CG ARG A 39 3.623 -7.981 -2.527 1.00 0.00 C ATOM 532 CD ARG A 39 5.123 -8.228 -2.542 1.00 0.00 C ATOM 533 NE ARG A 39 5.658 -8.435 -1.199 1.00 0.00 N ATOM 534 CZ ARG A 39 6.876 -8.906 -0.958 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.682 -9.216 -1.964 1.00 0.00 N ATOM 536 NH2 ARG A 39 7.291 -9.067 0.292 1.00 0.00 N ATOM 0 H ARG A 39 0.509 -7.637 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 39 1.819 -6.103 -2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.007 -8.083 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.939 -6.653 -4.174 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.366 -7.351 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.099 -8.927 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.340 -9.101 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.625 -7.379 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 39 5.064 -8.205 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.367 -9.093 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.617 -9.578 -1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.674 -8.829 1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.227 -9.429 0.476 1.00 0.00 H new ATOM 550 N VAL A 40 2.809 -4.469 -4.538 1.00 0.00 N ATOM 551 CA VAL A 40 2.899 -3.321 -5.432 1.00 0.00 C ATOM 552 C VAL A 40 3.856 -3.597 -6.586 1.00 0.00 C ATOM 553 O VAL A 40 4.900 -4.223 -6.404 1.00 0.00 O ATOM 554 CB VAL A 40 3.367 -2.060 -4.681 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.196 -0.825 -5.552 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.609 -1.909 -3.371 1.00 0.00 C ATOM 0 H VAL A 40 3.547 -4.516 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 40 1.898 -3.148 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 40 4.427 -2.167 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.532 0.056 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.788 -0.935 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.145 -0.709 -5.816 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.952 -1.013 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.542 -1.823 -3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.789 -2.782 -2.744 1.00 0.00 H new ATOM 566 N GLN A 41 3.494 -3.124 -7.775 1.00 0.00 N ATOM 567 CA GLN A 41 4.321 -3.320 -8.959 1.00 0.00 C ATOM 568 C GLN A 41 5.369 -2.219 -9.079 1.00 0.00 C ATOM 569 O GLN A 41 6.570 -2.489 -9.080 1.00 0.00 O ATOM 570 CB GLN A 41 3.450 -3.351 -10.216 1.00 0.00 C ATOM 571 CG GLN A 41 4.206 -3.758 -11.470 1.00 0.00 C ATOM 572 CD GLN A 41 4.607 -5.220 -11.461 1.00 0.00 C ATOM 573 OE1 GLN A 41 5.556 -5.610 -10.780 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.885 -6.037 -12.218 1.00 0.00 N ATOM 0 H GLN A 41 2.634 -2.603 -7.943 1.00 0.00 H new ATOM 0 HA GLN A 41 4.835 -4.276 -8.858 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.624 -4.045 -10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.013 -2.364 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.585 -3.561 -12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.099 -3.141 -11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.107 -5.670 -12.766 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.108 -7.032 -12.252 1.00 0.00 H new ATOM 583 N ALA A 42 4.907 -0.977 -9.181 1.00 0.00 N ATOM 584 CA ALA A 42 5.804 0.165 -9.300 1.00 0.00 C ATOM 585 C ALA A 42 5.075 1.470 -8.999 1.00 0.00 C ATOM 586 O ALA A 42 3.858 1.485 -8.817 1.00 0.00 O ATOM 587 CB ALA A 42 6.419 0.211 -10.691 1.00 0.00 C ATOM 0 H ALA A 42 3.916 -0.736 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 42 6.601 0.047 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.087 1.069 -10.765 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.983 -0.704 -10.870 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.628 0.301 -11.436 1.00 0.00 H new ATOM 593 N VAL A 43 5.828 2.565 -8.947 1.00 0.00 N ATOM 594 CA VAL A 43 5.253 3.875 -8.667 1.00 0.00 C ATOM 595 C VAL A 43 5.720 4.909 -9.686 1.00 0.00 C ATOM 596 O VAL A 43 6.920 5.098 -9.887 1.00 0.00 O ATOM 597 CB VAL A 43 5.622 4.361 -7.253 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.075 5.759 -7.008 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.107 3.386 -6.205 1.00 0.00 C ATOM 0 H VAL A 43 6.837 2.570 -9.095 1.00 0.00 H new ATOM 0 HA VAL A 43 4.171 3.766 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 43 6.708 4.404 -7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.346 6.085 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.497 6.448 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.989 5.747 -7.105 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.376 3.744 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.022 3.309 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.553 2.405 -6.370 1.00 0.00 H new ATOM 609 N ASP A 44 4.766 5.575 -10.325 1.00 0.00 N ATOM 610 CA ASP A 44 5.079 6.592 -11.323 1.00 0.00 C ATOM 611 C ASP A 44 5.650 7.843 -10.662 1.00 0.00 C ATOM 612 O ASP A 44 5.036 8.418 -9.764 1.00 0.00 O ATOM 613 CB ASP A 44 3.829 6.950 -12.127 1.00 0.00 C ATOM 614 CG ASP A 44 4.134 7.870 -13.293 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.983 8.772 -13.130 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.524 7.690 -14.368 1.00 0.00 O ATOM 0 H ASP A 44 3.768 5.429 -10.170 1.00 0.00 H new ATOM 0 HA ASP A 44 5.831 6.184 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.367 6.036 -12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.103 7.429 -11.470 1.00 0.00 H new ATOM 621 N SER A 45 6.830 8.258 -11.113 1.00 0.00 N ATOM 622 CA SER A 45 7.486 9.438 -10.563 1.00 0.00 C ATOM 623 C SER A 45 6.917 10.713 -11.178 1.00 0.00 C ATOM 624 O SER A 45 7.657 11.553 -11.690 1.00 0.00 O ATOM 625 CB SER A 45 8.995 9.369 -10.808 1.00 0.00 C ATOM 626 OG SER A 45 9.702 10.141 -9.852 1.00 0.00 O ATOM 0 H SER A 45 7.351 7.794 -11.858 1.00 0.00 H new ATOM 0 HA SER A 45 7.300 9.459 -9.489 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.327 8.332 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.221 9.731 -11.811 1.00 0.00 H new ATOM 0 HG SER A 45 9.095 10.402 -9.129 1.00 0.00 H new ATOM 632 N GLY A 46 5.596 10.850 -11.125 1.00 0.00 N ATOM 633 CA GLY A 46 4.949 12.025 -11.680 1.00 0.00 C ATOM 634 C GLY A 46 3.445 12.005 -11.486 1.00 0.00 C ATOM 635 O GLY A 46 2.695 12.471 -12.342 1.00 0.00 O ATOM 0 H GLY A 46 4.962 10.169 -10.708 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.361 12.918 -11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.174 12.091 -12.744 1.00 0.00 H new ATOM 639 N GLY A 47 3.003 11.462 -10.355 1.00 0.00 N ATOM 640 CA GLY A 47 1.582 11.391 -10.072 1.00 0.00 C ATOM 641 C GLY A 47 1.265 11.678 -8.618 1.00 0.00 C ATOM 642 O GLY A 47 2.153 11.953 -7.809 1.00 0.00 O ATOM 0 H GLY A 47 3.604 11.070 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.053 12.105 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.212 10.399 -10.332 1.00 0.00 H new ATOM 646 N PRO A 48 -0.028 11.616 -8.266 1.00 0.00 N ATOM 647 CA PRO A 48 -0.489 11.869 -6.898 1.00 0.00 C ATOM 648 C PRO A 48 -0.073 10.765 -5.932 1.00 0.00 C ATOM 649 O PRO A 48 -0.377 10.822 -4.741 1.00 0.00 O ATOM 650 CB PRO A 48 -2.013 11.910 -7.039 1.00 0.00 C ATOM 651 CG PRO A 48 -2.303 11.089 -8.248 1.00 0.00 C ATOM 652 CD PRO A 48 -1.139 11.294 -9.177 1.00 0.00 C ATOM 0 HA PRO A 48 -0.060 12.783 -6.486 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.504 11.501 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.372 12.932 -7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.414 10.036 -7.987 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.236 11.401 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.931 10.399 -9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.326 12.102 -9.884 1.00 0.00 H new ATOM 660 N ALA A 49 0.625 9.762 -6.454 1.00 0.00 N ATOM 661 CA ALA A 49 1.086 8.646 -5.637 1.00 0.00 C ATOM 662 C ALA A 49 2.390 8.988 -4.924 1.00 0.00 C ATOM 663 O ALA A 49 2.414 9.166 -3.707 1.00 0.00 O ATOM 664 CB ALA A 49 1.261 7.401 -6.494 1.00 0.00 C ATOM 0 H ALA A 49 0.884 9.699 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 49 0.329 8.448 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.606 6.576 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.307 7.137 -6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.996 7.597 -7.275 1.00 0.00 H new ATOM 670 N GLU A 50 3.472 9.076 -5.691 1.00 0.00 N ATOM 671 CA GLU A 50 4.780 9.396 -5.132 1.00 0.00 C ATOM 672 C GLU A 50 4.680 10.550 -4.139 1.00 0.00 C ATOM 673 O GLU A 50 5.104 10.432 -2.989 1.00 0.00 O ATOM 674 CB GLU A 50 5.764 9.753 -6.248 1.00 0.00 C ATOM 675 CG GLU A 50 7.208 9.419 -5.916 1.00 0.00 C ATOM 676 CD GLU A 50 8.194 10.343 -6.606 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.866 10.847 -7.700 1.00 0.00 O ATOM 678 OE2 GLU A 50 9.291 10.560 -6.052 1.00 0.00 O ATOM 0 H GLU A 50 3.469 8.930 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 50 5.145 8.515 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.477 9.224 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.686 10.819 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.352 9.480 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.415 8.389 -6.208 1.00 0.00 H new ATOM 685 N ARG A 51 4.116 11.665 -4.591 1.00 0.00 N ATOM 686 CA ARG A 51 3.961 12.841 -3.744 1.00 0.00 C ATOM 687 C ARG A 51 3.382 12.460 -2.385 1.00 0.00 C ATOM 688 O ARG A 51 3.860 12.915 -1.346 1.00 0.00 O ATOM 689 CB ARG A 51 3.058 13.871 -4.425 1.00 0.00 C ATOM 690 CG ARG A 51 3.703 14.553 -5.620 1.00 0.00 C ATOM 691 CD ARG A 51 2.996 15.854 -5.968 1.00 0.00 C ATOM 692 NE ARG A 51 3.814 16.709 -6.824 1.00 0.00 N ATOM 693 CZ ARG A 51 4.928 17.307 -6.416 1.00 0.00 C ATOM 694 NH1 ARG A 51 5.355 17.142 -5.171 1.00 0.00 N ATOM 695 NH2 ARG A 51 5.618 18.070 -7.253 1.00 0.00 N ATOM 0 H ARG A 51 3.759 11.779 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 51 4.947 13.279 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.141 13.379 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.772 14.629 -3.696 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.752 14.755 -5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.678 13.883 -6.480 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.055 15.632 -6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.749 16.389 -5.051 1.00 0.00 H new ATOM 0 HE ARG A 51 3.514 16.855 -7.788 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.828 16.555 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.211 17.602 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.294 18.198 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.473 18.528 -6.938 1.00 0.00 H new ATOM 709 N ALA A 52 2.350 11.623 -2.401 1.00 0.00 N ATOM 710 CA ALA A 52 1.707 11.180 -1.170 1.00 0.00 C ATOM 711 C ALA A 52 2.690 10.432 -0.276 1.00 0.00 C ATOM 712 O ALA A 52 2.759 10.676 0.928 1.00 0.00 O ATOM 713 CB ALA A 52 0.506 10.302 -1.489 1.00 0.00 C ATOM 0 H ALA A 52 1.941 11.238 -3.253 1.00 0.00 H new ATOM 0 HA ALA A 52 1.365 12.062 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.035 9.978 -0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.212 10.869 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.833 9.429 -2.054 1.00 0.00 H new ATOM 719 N GLY A 53 3.449 9.518 -0.873 1.00 0.00 N ATOM 720 CA GLY A 53 4.417 8.747 -0.115 1.00 0.00 C ATOM 721 C GLY A 53 4.250 7.253 -0.310 1.00 0.00 C ATOM 722 O GLY A 53 4.258 6.489 0.656 1.00 0.00 O ATOM 0 H GLY A 53 3.411 9.298 -1.868 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.424 9.039 -0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.317 8.985 0.944 1.00 0.00 H new ATOM 726 N LEU A 54 4.096 6.835 -1.562 1.00 0.00 N ATOM 727 CA LEU A 54 3.924 5.422 -1.881 1.00 0.00 C ATOM 728 C LEU A 54 5.199 4.841 -2.483 1.00 0.00 C ATOM 729 O LEU A 54 5.711 5.347 -3.481 1.00 0.00 O ATOM 730 CB LEU A 54 2.757 5.237 -2.851 1.00 0.00 C ATOM 731 CG LEU A 54 2.102 3.855 -2.857 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.686 3.938 -3.406 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.934 2.874 -3.670 1.00 0.00 C ATOM 0 H LEU A 54 4.087 7.454 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 54 3.706 4.889 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.993 5.978 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.111 5.454 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 54 2.051 3.494 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.236 2.945 -3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.093 4.608 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.713 4.321 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.453 1.896 -3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.017 3.231 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.929 2.792 -3.233 1.00 0.00 H new ATOM 745 N GLN A 55 5.703 3.774 -1.872 1.00 0.00 N ATOM 746 CA GLN A 55 6.917 3.123 -2.350 1.00 0.00 C ATOM 747 C GLN A 55 6.600 1.763 -2.964 1.00 0.00 C ATOM 748 O GLN A 55 5.881 0.958 -2.373 1.00 0.00 O ATOM 749 CB GLN A 55 7.917 2.958 -1.204 1.00 0.00 C ATOM 750 CG GLN A 55 9.369 2.989 -1.655 1.00 0.00 C ATOM 751 CD GLN A 55 10.286 2.224 -0.721 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.924 1.249 -1.119 1.00 0.00 O ATOM 753 NE2 GLN A 55 10.358 2.664 0.530 1.00 0.00 N ATOM 0 H GLN A 55 5.290 3.342 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 55 7.359 3.755 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.755 3.751 -0.474 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.723 2.013 -0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.443 2.567 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.704 4.024 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.812 3.476 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.960 2.190 1.204 1.00 0.00 H new ATOM 762 N GLN A 56 7.142 1.515 -4.152 1.00 0.00 N ATOM 763 CA GLN A 56 6.916 0.253 -4.846 1.00 0.00 C ATOM 764 C GLN A 56 7.524 -0.911 -4.071 1.00 0.00 C ATOM 765 O GLN A 56 8.263 -0.710 -3.106 1.00 0.00 O ATOM 766 CB GLN A 56 7.508 0.308 -6.255 1.00 0.00 C ATOM 767 CG GLN A 56 9.010 0.538 -6.275 1.00 0.00 C ATOM 768 CD GLN A 56 9.531 0.874 -7.659 1.00 0.00 C ATOM 769 OE1 GLN A 56 9.594 2.042 -8.044 1.00 0.00 O ATOM 770 NE2 GLN A 56 9.907 -0.151 -8.415 1.00 0.00 N ATOM 0 H GLN A 56 7.740 2.171 -4.654 1.00 0.00 H new ATOM 0 HA GLN A 56 5.840 0.095 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.285 -0.626 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.019 1.105 -6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.259 1.349 -5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.515 -0.355 -5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.837 -1.103 -8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.265 0.014 -9.356 1.00 0.00 H new ATOM 779 N LEU A 57 7.209 -2.129 -4.498 1.00 0.00 N ATOM 780 CA LEU A 57 7.725 -3.327 -3.844 1.00 0.00 C ATOM 781 C LEU A 57 7.231 -3.416 -2.403 1.00 0.00 C ATOM 782 O LEU A 57 7.956 -3.864 -1.515 1.00 0.00 O ATOM 783 CB LEU A 57 9.254 -3.329 -3.872 1.00 0.00 C ATOM 784 CG LEU A 57 9.900 -3.275 -5.257 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.399 -3.046 -5.138 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.614 -4.555 -6.029 1.00 0.00 C ATOM 0 H LEU A 57 6.599 -2.313 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 57 7.357 -4.196 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.609 -2.476 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.606 -4.227 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 57 9.468 -2.439 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.842 -3.010 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.583 -2.102 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.848 -3.861 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.081 -4.499 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.018 -5.407 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.537 -4.677 -6.146 1.00 0.00 H new ATOM 798 N ASP A 58 5.993 -2.988 -2.180 1.00 0.00 N ATOM 799 CA ASP A 58 5.401 -3.022 -0.848 1.00 0.00 C ATOM 800 C ASP A 58 4.263 -4.036 -0.785 1.00 0.00 C ATOM 801 O ASP A 58 3.625 -4.333 -1.796 1.00 0.00 O ATOM 802 CB ASP A 58 4.886 -1.635 -0.460 1.00 0.00 C ATOM 803 CG ASP A 58 5.944 -0.799 0.234 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.818 -0.247 -0.466 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.896 -0.696 1.478 1.00 0.00 O ATOM 0 H ASP A 58 5.380 -2.614 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 58 6.174 -3.325 -0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.544 -1.114 -1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.023 -1.742 0.197 1.00 0.00 H new ATOM 810 N THR A 59 4.015 -4.566 0.408 1.00 0.00 N ATOM 811 CA THR A 59 2.956 -5.549 0.603 1.00 0.00 C ATOM 812 C THR A 59 1.687 -4.892 1.133 1.00 0.00 C ATOM 813 O THR A 59 1.732 -4.104 2.079 1.00 0.00 O ATOM 814 CB THR A 59 3.392 -6.659 1.577 1.00 0.00 C ATOM 815 OG1 THR A 59 4.517 -7.366 1.044 1.00 0.00 O ATOM 816 CG2 THR A 59 2.251 -7.632 1.835 1.00 0.00 C ATOM 0 H THR A 59 4.533 -4.331 1.255 1.00 0.00 H new ATOM 0 HA THR A 59 2.752 -5.992 -0.372 1.00 0.00 H new ATOM 0 HB THR A 59 3.672 -6.193 2.522 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.467 -8.308 1.309 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.583 -8.407 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.407 -7.096 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.945 -8.091 0.895 1.00 0.00 H new ATOM 824 N VAL A 60 0.554 -5.221 0.520 1.00 0.00 N ATOM 825 CA VAL A 60 -0.728 -4.664 0.932 1.00 0.00 C ATOM 826 C VAL A 60 -1.269 -5.382 2.164 1.00 0.00 C ATOM 827 O VAL A 60 -1.529 -6.585 2.130 1.00 0.00 O ATOM 828 CB VAL A 60 -1.769 -4.754 -0.200 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.033 -3.995 0.175 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.187 -4.227 -1.502 1.00 0.00 C ATOM 0 H VAL A 60 0.499 -5.871 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.555 -3.615 1.173 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.033 -5.802 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.757 -4.070 -0.637 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.459 -4.424 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.790 -2.947 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.936 -4.298 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.893 -3.185 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.314 -4.819 -1.776 1.00 0.00 H new ATOM 840 N LEU A 61 -1.436 -4.636 3.250 1.00 0.00 N ATOM 841 CA LEU A 61 -1.947 -5.201 4.495 1.00 0.00 C ATOM 842 C LEU A 61 -3.472 -5.209 4.503 1.00 0.00 C ATOM 843 O LEU A 61 -4.095 -6.250 4.714 1.00 0.00 O ATOM 844 CB LEU A 61 -1.424 -4.406 5.692 1.00 0.00 C ATOM 845 CG LEU A 61 0.040 -4.642 6.066 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.370 -3.962 7.386 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.337 -6.133 6.143 1.00 0.00 C ATOM 0 H LEU A 61 -1.225 -3.639 3.294 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.596 -6.230 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.559 -3.344 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.042 -4.643 6.558 1.00 0.00 H new ATOM 0 HG LEU A 61 0.668 -4.206 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.416 -4.141 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.197 -2.890 7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.266 -4.368 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.383 -6.282 6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.300 -6.592 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.141 -6.594 5.175 1.00 0.00 H new ATOM 859 N GLN A 62 -4.067 -4.044 4.269 1.00 0.00 N ATOM 860 CA GLN A 62 -5.519 -3.918 4.249 1.00 0.00 C ATOM 861 C GLN A 62 -5.952 -2.747 3.372 1.00 0.00 C ATOM 862 O GLN A 62 -5.185 -1.810 3.147 1.00 0.00 O ATOM 863 CB GLN A 62 -6.057 -3.733 5.669 1.00 0.00 C ATOM 864 CG GLN A 62 -5.699 -2.391 6.285 1.00 0.00 C ATOM 865 CD GLN A 62 -6.106 -2.290 7.742 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.355 -1.781 8.575 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.302 -2.775 8.057 1.00 0.00 N ATOM 0 H GLN A 62 -3.566 -3.174 4.091 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.932 -4.835 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.142 -3.839 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.668 -4.530 6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.624 -2.232 6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.185 -1.595 5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.891 -3.188 7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.631 -2.734 9.022 1.00 0.00 H new ATOM 876 N LEU A 63 -7.184 -2.807 2.880 1.00 0.00 N ATOM 877 CA LEU A 63 -7.720 -1.751 2.028 1.00 0.00 C ATOM 878 C LEU A 63 -9.062 -1.253 2.555 1.00 0.00 C ATOM 879 O LEU A 63 -9.858 -2.028 3.084 1.00 0.00 O ATOM 880 CB LEU A 63 -7.878 -2.257 0.593 1.00 0.00 C ATOM 881 CG LEU A 63 -8.462 -1.262 -0.410 1.00 0.00 C ATOM 882 CD1 LEU A 63 -7.352 -0.460 -1.072 1.00 0.00 C ATOM 883 CD2 LEU A 63 -9.297 -1.986 -1.456 1.00 0.00 C ATOM 0 H LEU A 63 -7.831 -3.576 3.056 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.016 -0.919 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.900 -2.575 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.515 -3.142 0.609 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.111 -0.571 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.786 0.243 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.796 0.089 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.677 -1.137 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.705 -1.262 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.671 -2.700 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.115 -2.515 -0.966 1.00 0.00 H new ATOM 895 N ASN A 64 -9.307 0.044 2.404 1.00 0.00 N ATOM 896 CA ASN A 64 -10.554 0.645 2.863 1.00 0.00 C ATOM 897 C ASN A 64 -10.894 0.180 4.276 1.00 0.00 C ATOM 898 O ASN A 64 -12.061 0.152 4.666 1.00 0.00 O ATOM 899 CB ASN A 64 -11.697 0.291 1.909 1.00 0.00 C ATOM 900 CG ASN A 64 -11.325 0.510 0.455 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.740 -0.245 -0.424 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.539 1.549 0.196 1.00 0.00 N ATOM 0 H ASN A 64 -8.659 0.699 1.967 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.423 1.727 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.980 -0.751 2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.571 0.896 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.256 1.747 -0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.219 2.148 0.957 1.00 0.00 H new ATOM 909 N GLU A 65 -9.867 -0.184 5.037 1.00 0.00 N ATOM 910 CA GLU A 65 -10.057 -0.648 6.406 1.00 0.00 C ATOM 911 C GLU A 65 -10.652 -2.053 6.426 1.00 0.00 C ATOM 912 O GLU A 65 -11.447 -2.389 7.304 1.00 0.00 O ATOM 913 CB GLU A 65 -10.968 0.315 7.172 1.00 0.00 C ATOM 914 CG GLU A 65 -10.675 1.780 6.895 1.00 0.00 C ATOM 915 CD GLU A 65 -9.586 2.337 7.792 1.00 0.00 C ATOM 916 OE1 GLU A 65 -8.483 1.751 7.818 1.00 0.00 O ATOM 917 OE2 GLU A 65 -9.836 3.357 8.466 1.00 0.00 O ATOM 0 H GLU A 65 -8.895 -0.167 4.729 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.082 -0.678 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.005 0.105 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.864 0.128 8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.377 1.896 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.587 2.361 7.033 1.00 0.00 H new ATOM 924 N ARG A 66 -10.260 -2.869 5.453 1.00 0.00 N ATOM 925 CA ARG A 66 -10.755 -4.237 5.358 1.00 0.00 C ATOM 926 C ARG A 66 -9.609 -5.214 5.111 1.00 0.00 C ATOM 927 O ARG A 66 -8.623 -4.897 4.446 1.00 0.00 O ATOM 928 CB ARG A 66 -11.788 -4.351 4.235 1.00 0.00 C ATOM 929 CG ARG A 66 -11.197 -4.799 2.908 1.00 0.00 C ATOM 930 CD ARG A 66 -12.280 -5.023 1.864 1.00 0.00 C ATOM 931 NE ARG A 66 -13.158 -6.136 2.216 1.00 0.00 N ATOM 932 CZ ARG A 66 -14.403 -6.259 1.771 1.00 0.00 C ATOM 933 NH1 ARG A 66 -14.915 -5.342 0.961 1.00 0.00 N ATOM 934 NH2 ARG A 66 -15.140 -7.300 2.136 1.00 0.00 N ATOM 0 H ARG A 66 -9.601 -2.607 4.720 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.229 -4.492 6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.562 -5.057 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.273 -3.384 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.494 -4.047 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.633 -5.720 3.052 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.872 -4.114 1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.816 -5.219 0.897 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.795 -6.858 2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.352 -4.540 0.678 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.872 -5.439 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.750 -8.007 2.759 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.096 -7.393 1.793 1.00 0.00 H new ATOM 948 N PRO A 67 -9.740 -6.431 5.660 1.00 0.00 N ATOM 949 CA PRO A 67 -8.726 -7.479 5.513 1.00 0.00 C ATOM 950 C PRO A 67 -8.654 -8.020 4.089 1.00 0.00 C ATOM 951 O PRO A 67 -9.578 -8.685 3.620 1.00 0.00 O ATOM 952 CB PRO A 67 -9.200 -8.569 6.477 1.00 0.00 C ATOM 953 CG PRO A 67 -10.671 -8.360 6.591 1.00 0.00 C ATOM 954 CD PRO A 67 -10.889 -6.878 6.465 1.00 0.00 C ATOM 0 HA PRO A 67 -7.723 -7.109 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.970 -9.563 6.094 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.711 -8.480 7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.204 -8.901 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.045 -8.730 7.546 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.836 -6.651 5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.910 -6.391 7.440 1.00 0.00 H new ATOM 962 N VAL A 68 -7.550 -7.733 3.406 1.00 0.00 N ATOM 963 CA VAL A 68 -7.357 -8.193 2.036 1.00 0.00 C ATOM 964 C VAL A 68 -6.045 -8.956 1.893 1.00 0.00 C ATOM 965 O VAL A 68 -5.563 -9.176 0.782 1.00 0.00 O ATOM 966 CB VAL A 68 -7.366 -7.016 1.043 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.468 -6.028 1.394 1.00 0.00 C ATOM 968 CG2 VAL A 68 -6.009 -6.328 1.021 1.00 0.00 C ATOM 0 H VAL A 68 -6.776 -7.184 3.779 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.188 -8.859 1.805 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.567 -7.407 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.458 -5.204 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.434 -6.531 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.302 -5.640 2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.033 -5.499 0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.777 -5.950 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.244 -7.042 0.717 1.00 0.00 H new ATOM 978 N GLU A 69 -5.473 -9.357 3.024 1.00 0.00 N ATOM 979 CA GLU A 69 -4.216 -10.095 3.023 1.00 0.00 C ATOM 980 C GLU A 69 -4.349 -11.395 2.234 1.00 0.00 C ATOM 981 O GLU A 69 -3.363 -11.929 1.725 1.00 0.00 O ATOM 982 CB GLU A 69 -3.776 -10.399 4.457 1.00 0.00 C ATOM 983 CG GLU A 69 -2.903 -9.317 5.068 1.00 0.00 C ATOM 984 CD GLU A 69 -1.430 -9.518 4.769 1.00 0.00 C ATOM 985 OE1 GLU A 69 -0.814 -10.406 5.395 1.00 0.00 O ATOM 986 OE2 GLU A 69 -0.893 -8.788 3.910 1.00 0.00 O ATOM 0 H GLU A 69 -5.860 -9.183 3.952 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.460 -9.474 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.661 -10.534 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.231 -11.343 4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.217 -8.345 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.052 -9.302 6.148 1.00 0.00 H new ATOM 993 N HIS A 70 -5.575 -11.899 2.137 1.00 0.00 N ATOM 994 CA HIS A 70 -5.838 -13.136 1.410 1.00 0.00 C ATOM 995 C HIS A 70 -6.495 -12.846 0.064 1.00 0.00 C ATOM 996 O HIS A 70 -6.966 -13.757 -0.617 1.00 0.00 O ATOM 997 CB HIS A 70 -6.731 -14.059 2.239 1.00 0.00 C ATOM 998 CG HIS A 70 -5.983 -14.856 3.263 1.00 0.00 C ATOM 999 ND1 HIS A 70 -6.008 -14.563 4.610 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.186 -15.942 3.130 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -5.258 -15.433 5.262 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -4.748 -16.281 4.387 1.00 0.00 N ATOM 0 H HIS A 70 -6.402 -11.470 2.553 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.885 -13.632 1.229 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.491 -13.461 2.741 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.254 -14.742 1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.940 -16.448 2.208 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.090 -15.448 6.329 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.129 -17.061 4.609 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.525 -11.572 -0.312 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.126 -11.163 -1.576 1.00 0.00 C ATOM 1013 C TRP A 71 -6.083 -11.127 -2.688 1.00 0.00 C ATOM 1014 O TRP A 71 -4.888 -10.989 -2.428 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.782 -9.789 -1.431 1.00 0.00 C ATOM 1016 CG TRP A 71 -9.079 -9.826 -0.681 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.454 -10.738 0.263 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -10.172 -8.911 -0.814 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.714 -10.446 0.725 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -11.176 -9.329 0.081 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -10.399 -7.778 -1.599 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -12.387 -8.654 0.209 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.602 -7.109 -1.472 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.583 -7.548 -0.573 1.00 0.00 C ATOM 0 H TRP A 71 -6.140 -10.805 0.240 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.888 -11.896 -1.842 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -7.093 -9.118 -0.918 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.956 -9.371 -2.422 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.849 -11.567 0.597 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.223 -10.975 1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.648 -7.431 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.145 -8.991 0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.789 -6.233 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.512 -7.003 -0.496 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.543 -11.254 -3.929 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.651 -11.234 -5.081 1.00 0.00 C ATOM 1037 C LYS A 72 -5.863 -9.973 -5.913 1.00 0.00 C ATOM 1038 O LYS A 72 -6.894 -9.309 -5.798 1.00 0.00 O ATOM 1039 CB LYS A 72 -5.878 -12.474 -5.949 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.894 -13.773 -5.162 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.162 -14.968 -6.062 1.00 0.00 C ATOM 1042 CE LYS A 72 -7.646 -15.123 -6.356 1.00 0.00 C ATOM 1043 NZ LYS A 72 -7.940 -16.398 -7.066 1.00 0.00 N ATOM 0 H LYS A 72 -7.529 -11.372 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.625 -11.237 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.825 -12.368 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.094 -12.527 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.937 -13.905 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.659 -13.721 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.615 -14.850 -6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.788 -15.874 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.207 -15.090 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.986 -14.283 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.962 -16.466 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.425 -16.419 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.639 -17.201 -6.477 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.883 -9.650 -6.750 1.00 0.00 N ATOM 1058 CA CYS A 73 -4.964 -8.469 -7.601 1.00 0.00 C ATOM 1059 C CYS A 73 -6.390 -8.251 -8.096 1.00 0.00 C ATOM 1060 O CYS A 73 -6.886 -7.125 -8.116 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.013 -8.607 -8.792 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.119 -7.250 -9.982 1.00 0.00 S ATOM 0 H CYS A 73 -4.024 -10.189 -6.857 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.669 -7.603 -7.008 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.990 -8.672 -8.421 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.225 -9.544 -9.306 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.277 -7.456 -10.951 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.044 -9.337 -8.496 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.413 -9.265 -8.992 1.00 0.00 C ATOM 1070 C VAL A 74 -9.370 -8.802 -7.899 1.00 0.00 C ATOM 1071 O VAL A 74 -9.904 -7.695 -7.956 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.887 -10.628 -9.531 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -10.327 -10.540 -10.014 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -7.971 -11.107 -10.647 1.00 0.00 C ATOM 0 H VAL A 74 -6.648 -10.277 -8.486 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.417 -8.540 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.845 -11.354 -8.720 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.644 -11.512 -10.391 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.971 -10.244 -9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.399 -9.800 -10.812 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.321 -12.071 -11.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.979 -10.382 -11.461 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.956 -11.211 -10.265 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.581 -9.658 -6.904 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.474 -9.337 -5.797 1.00 0.00 C ATOM 1086 C GLU A 75 -10.276 -7.894 -5.340 1.00 0.00 C ATOM 1087 O GLU A 75 -11.239 -7.141 -5.189 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.235 -10.292 -4.626 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.885 -11.653 -4.808 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.347 -11.660 -4.409 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -13.191 -11.263 -5.240 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -12.649 -12.063 -3.266 1.00 0.00 O ATOM 0 H GLU A 75 -9.146 -10.578 -6.842 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.500 -9.452 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.162 -10.426 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.616 -9.836 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.796 -11.957 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.347 -12.391 -4.213 1.00 0.00 H new ATOM 1099 N LEU A 76 -9.022 -7.516 -5.120 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.696 -6.164 -4.679 1.00 0.00 C ATOM 1101 C LEU A 76 -9.073 -5.139 -5.744 1.00 0.00 C ATOM 1102 O LEU A 76 -9.919 -4.275 -5.516 1.00 0.00 O ATOM 1103 CB LEU A 76 -7.205 -6.057 -4.357 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.774 -4.816 -3.575 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.896 -4.344 -2.663 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.514 -5.101 -2.771 1.00 0.00 C ATOM 0 H LEU A 76 -8.214 -8.127 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.272 -5.953 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.912 -6.940 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.649 -6.083 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.553 -4.021 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.571 -3.460 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.773 -4.098 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.149 -5.136 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.223 -4.206 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.706 -5.912 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.709 -5.390 -3.447 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.439 -5.242 -6.908 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.711 -4.327 -8.009 1.00 0.00 C ATOM 1120 C ALA A 77 -10.187 -3.947 -8.056 1.00 0.00 C ATOM 1121 O ALA A 77 -10.537 -2.818 -8.402 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.282 -4.948 -9.330 1.00 0.00 C ATOM 0 H ALA A 77 -7.734 -5.950 -7.112 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.134 -3.417 -7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.491 -4.253 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.214 -5.162 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.833 -5.874 -9.493 1.00 0.00 H new ATOM 1128 N HIS A 78 -11.049 -4.896 -7.706 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.489 -4.661 -7.708 1.00 0.00 C ATOM 1130 C HIS A 78 -12.850 -3.498 -6.788 1.00 0.00 C ATOM 1131 O HIS A 78 -13.484 -2.533 -7.214 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.234 -5.922 -7.272 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.724 -5.793 -7.345 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.521 -6.664 -8.059 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.563 -4.889 -6.788 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.785 -6.299 -7.938 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.838 -5.225 -7.172 1.00 0.00 N ATOM 0 H HIS A 78 -10.776 -5.835 -7.417 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.789 -4.405 -8.724 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.919 -6.756 -7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.949 -6.167 -6.249 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.282 -4.058 -6.158 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.632 -6.795 -8.389 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.688 -4.726 -6.908 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.444 -3.600 -5.527 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.727 -2.557 -4.548 1.00 0.00 C ATOM 1148 C GLU A 79 -12.127 -1.223 -4.983 1.00 0.00 C ATOM 1149 O GLU A 79 -12.826 -0.213 -5.065 1.00 0.00 O ATOM 1150 CB GLU A 79 -12.178 -2.952 -3.175 1.00 0.00 C ATOM 1151 CG GLU A 79 -13.162 -3.743 -2.330 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.062 -2.852 -1.496 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.712 -1.957 -2.075 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.116 -3.049 -0.264 1.00 0.00 O ATOM 0 H GLU A 79 -11.919 -4.393 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.809 -2.444 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.272 -3.543 -3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.891 -2.050 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.776 -4.366 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.612 -4.415 -1.672 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.828 -1.229 -5.262 1.00 0.00 N ATOM 1162 CA ILE A 80 -10.134 -0.021 -5.690 1.00 0.00 C ATOM 1163 C ILE A 80 -10.932 0.724 -6.754 1.00 0.00 C ATOM 1164 O ILE A 80 -10.931 1.954 -6.797 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.734 -0.343 -6.246 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.875 -1.009 -5.170 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.064 0.923 -6.759 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.568 -1.561 -5.695 1.00 0.00 C ATOM 0 H ILE A 80 -10.235 -2.057 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.029 0.612 -4.809 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.841 -1.037 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.664 -0.283 -4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.444 -1.818 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.076 0.679 -7.149 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.670 1.359 -7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.966 1.639 -5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.011 -2.018 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.771 -2.311 -6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.979 -0.752 -6.127 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.614 -0.030 -7.610 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.418 0.559 -8.674 1.00 0.00 C ATOM 1182 C ARG A 81 -13.763 1.039 -8.137 1.00 0.00 C ATOM 1183 O ARG A 81 -14.331 2.011 -8.636 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.638 -0.456 -9.798 1.00 0.00 C ATOM 1185 CG ARG A 81 -11.403 -0.698 -10.650 1.00 0.00 C ATOM 1186 CD ARG A 81 -11.268 0.349 -11.745 1.00 0.00 C ATOM 1187 NE ARG A 81 -10.097 0.114 -12.585 1.00 0.00 N ATOM 1188 CZ ARG A 81 -8.851 0.352 -12.192 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -8.615 0.829 -10.977 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -7.837 0.113 -13.014 1.00 0.00 N ATOM 0 H ARG A 81 -11.626 -1.050 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.877 1.418 -9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.961 -1.402 -9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.448 -0.107 -10.438 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.515 -0.682 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -11.457 -1.690 -11.098 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.165 0.344 -12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.198 1.339 -11.294 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.244 -0.253 -13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.392 1.014 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.657 1.011 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.014 -0.254 -13.949 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.881 0.296 -12.711 1.00 0.00 H new ATOM 1204 N SER A 82 -14.267 0.351 -7.118 1.00 0.00 N ATOM 1205 CA SER A 82 -15.547 0.704 -6.516 1.00 0.00 C ATOM 1206 C SER A 82 -15.611 2.198 -6.210 1.00 0.00 C ATOM 1207 O SER A 82 -16.496 2.905 -6.693 1.00 0.00 O ATOM 1208 CB SER A 82 -15.772 -0.100 -5.234 1.00 0.00 C ATOM 1209 OG SER A 82 -16.974 0.288 -4.592 1.00 0.00 O ATOM 0 H SER A 82 -13.808 -0.454 -6.692 1.00 0.00 H new ATOM 0 HA SER A 82 -16.334 0.463 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.809 -1.163 -5.470 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.931 0.047 -4.557 1.00 0.00 H new ATOM 0 HG SER A 82 -17.095 -0.242 -3.776 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.665 2.671 -5.405 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.613 4.080 -5.033 1.00 0.00 C ATOM 1217 C CYS A 83 -14.039 4.921 -6.169 1.00 0.00 C ATOM 1218 O CYS A 83 -12.860 4.827 -6.509 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.770 4.264 -3.770 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.673 3.970 -2.231 1.00 0.00 S ATOM 0 H CYS A 83 -13.925 2.100 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.631 4.416 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.917 3.587 -3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.371 5.278 -3.757 1.00 0.00 H new ATOM 0 HG CYS A 83 -13.876 4.148 -1.219 1.00 0.00 H new ATOM 1226 N PRO A 84 -14.892 5.763 -6.771 1.00 0.00 N ATOM 1227 CA PRO A 84 -14.493 6.636 -7.879 1.00 0.00 C ATOM 1228 C PRO A 84 -13.556 7.752 -7.428 1.00 0.00 C ATOM 1229 O PRO A 84 -12.500 7.966 -8.022 1.00 0.00 O ATOM 1230 CB PRO A 84 -15.821 7.218 -8.368 1.00 0.00 C ATOM 1231 CG PRO A 84 -16.723 7.154 -7.184 1.00 0.00 C ATOM 1232 CD PRO A 84 -16.312 5.927 -6.417 1.00 0.00 C ATOM 0 HA PRO A 84 -13.941 6.094 -8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.699 8.243 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.222 6.642 -9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.625 8.049 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.767 7.091 -7.491 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.446 6.061 -5.344 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.901 5.057 -6.706 1.00 0.00 H new ATOM 1240 N SER A 85 -13.951 8.460 -6.375 1.00 0.00 N ATOM 1241 CA SER A 85 -13.148 9.557 -5.847 1.00 0.00 C ATOM 1242 C SER A 85 -11.694 9.129 -5.669 1.00 0.00 C ATOM 1243 O SER A 85 -10.831 9.476 -6.475 1.00 0.00 O ATOM 1244 CB SER A 85 -13.717 10.037 -4.511 1.00 0.00 C ATOM 1245 OG SER A 85 -15.016 10.579 -4.676 1.00 0.00 O ATOM 0 H SER A 85 -14.822 8.294 -5.871 1.00 0.00 H new ATOM 0 HA SER A 85 -13.182 10.377 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.753 9.205 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.057 10.790 -4.080 1.00 0.00 H new ATOM 0 HG SER A 85 -15.359 10.877 -3.808 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.432 8.373 -4.607 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.083 7.898 -4.322 1.00 0.00 C ATOM 1253 C GLU A 86 -10.121 6.584 -3.548 1.00 0.00 C ATOM 1254 O GLU A 86 -11.187 6.125 -3.135 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.306 8.950 -3.527 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.712 9.029 -2.065 1.00 0.00 C ATOM 1257 CD GLU A 86 -11.193 9.302 -1.885 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -11.639 10.413 -2.242 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -11.905 8.406 -1.386 1.00 0.00 O ATOM 0 H GLU A 86 -12.136 8.077 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.578 7.725 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.241 8.726 -3.588 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.454 9.926 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.456 8.092 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.139 9.816 -1.575 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.952 5.984 -3.355 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.851 4.724 -2.630 1.00 0.00 C ATOM 1268 C ILE A 87 -7.788 4.800 -1.540 1.00 0.00 C ATOM 1269 O ILE A 87 -6.798 5.520 -1.674 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.517 3.555 -3.576 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.126 3.746 -4.186 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.569 3.441 -4.669 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.019 3.108 -3.376 1.00 0.00 C ATOM 0 H ILE A 87 -8.061 6.350 -3.691 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.824 4.545 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.517 2.629 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.118 3.326 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.925 4.813 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.319 2.611 -5.329 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.545 3.264 -4.217 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.598 4.366 -5.244 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.062 3.283 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.000 3.545 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.197 2.035 -3.299 1.00 0.00 H new ATOM 1285 N ILE A 88 -7.998 4.052 -0.462 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.056 4.033 0.650 1.00 0.00 C ATOM 1287 C ILE A 88 -6.449 2.646 0.833 1.00 0.00 C ATOM 1288 O ILE A 88 -7.136 1.702 1.226 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.731 4.463 1.966 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.243 5.900 1.856 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.758 4.330 3.128 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.158 6.304 2.991 1.00 0.00 C ATOM 0 H ILE A 88 -8.812 3.451 -0.335 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.266 4.743 0.407 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.582 3.807 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.391 6.579 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.775 6.016 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.249 4.638 4.051 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.436 3.292 3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.890 4.965 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.482 7.335 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.029 5.648 3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.623 6.220 3.937 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.157 2.530 0.546 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.456 1.258 0.680 1.00 0.00 C ATOM 1306 C LEU A 89 -3.368 1.346 1.746 1.00 0.00 C ATOM 1307 O LEU A 89 -2.648 2.342 1.834 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.841 0.848 -0.659 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.662 1.694 -1.143 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.814 0.910 -2.133 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.157 2.989 -1.770 1.00 0.00 C ATOM 0 H LEU A 89 -4.574 3.301 0.219 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.180 0.503 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.512 -0.188 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.621 0.879 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.041 1.944 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.980 1.527 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.430 0.011 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.424 0.629 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.305 3.578 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.800 2.759 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.721 3.558 -1.031 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.252 0.297 2.553 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.250 0.254 3.613 1.00 0.00 C ATOM 1325 C LEU A 90 -1.169 -0.775 3.299 1.00 0.00 C ATOM 1326 O LEU A 90 -1.463 -1.882 2.849 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.910 -0.075 4.953 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.961 -0.424 6.101 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.292 0.831 6.640 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.709 -1.150 7.209 1.00 0.00 C ATOM 0 H LEU A 90 -3.839 -0.535 2.494 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.782 1.237 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.516 0.779 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.591 -0.913 4.804 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.186 -1.088 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.621 0.564 7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.723 1.310 5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.053 1.520 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.018 -1.390 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.505 -0.510 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.140 -2.070 6.815 1.00 0.00 H new ATOM 1342 N VAL A 91 0.084 -0.402 3.541 1.00 0.00 N ATOM 1343 CA VAL A 91 1.209 -1.294 3.287 1.00 0.00 C ATOM 1344 C VAL A 91 2.261 -1.177 4.384 1.00 0.00 C ATOM 1345 O VAL A 91 2.196 -0.283 5.227 1.00 0.00 O ATOM 1346 CB VAL A 91 1.867 -0.994 1.926 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.820 -0.956 0.824 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.639 0.316 1.985 1.00 0.00 C ATOM 0 H VAL A 91 0.345 0.511 3.912 1.00 0.00 H new ATOM 0 HA VAL A 91 0.812 -2.309 3.275 1.00 0.00 H new ATOM 0 HB VAL A 91 2.571 -1.794 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.303 -0.743 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.316 -1.921 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.090 -0.177 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.097 0.512 1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.958 1.129 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.416 0.246 2.746 1.00 0.00 H new ATOM 1358 N TRP A 92 3.229 -2.086 4.366 1.00 0.00 N ATOM 1359 CA TRP A 92 4.297 -2.084 5.360 1.00 0.00 C ATOM 1360 C TRP A 92 5.618 -1.645 4.740 1.00 0.00 C ATOM 1361 O TRP A 92 6.011 -2.136 3.681 1.00 0.00 O ATOM 1362 CB TRP A 92 4.447 -3.475 5.979 1.00 0.00 C ATOM 1363 CG TRP A 92 5.751 -3.670 6.692 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.960 -3.958 6.126 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.975 -3.594 8.104 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.922 -4.065 7.101 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.344 -3.845 8.323 1.00 0.00 C ATOM 1368 CE3 TRP A 92 5.153 -3.335 9.205 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.905 -3.846 9.597 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.712 -3.336 10.468 1.00 0.00 C ATOM 1371 CH2 TRP A 92 7.078 -3.590 10.656 1.00 0.00 C ATOM 0 H TRP A 92 3.297 -2.833 3.675 1.00 0.00 H new ATOM 0 HA TRP A 92 4.031 -1.372 6.141 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.629 -3.643 6.680 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.354 -4.226 5.194 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.134 -4.083 5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.907 -4.274 6.941 1.00 0.00 H new ATOM 0 HE3 TRP A 92 4.100 -3.138 9.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.957 -4.042 9.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 5.086 -3.138 11.326 1.00 0.00 H new ATOM 0 HH2 TRP A 92 7.485 -3.583 11.656 1.00 0.00 H new ATOM 1382 N ARG A 93 6.301 -0.719 5.405 1.00 0.00 N ATOM 1383 CA ARG A 93 7.578 -0.213 4.917 1.00 0.00 C ATOM 1384 C ARG A 93 8.615 -0.187 6.036 1.00 0.00 C ATOM 1385 O ARG A 93 8.281 0.025 7.202 1.00 0.00 O ATOM 1386 CB ARG A 93 7.406 1.190 4.333 1.00 0.00 C ATOM 1387 CG ARG A 93 8.720 1.874 3.994 1.00 0.00 C ATOM 1388 CD ARG A 93 8.564 2.830 2.821 1.00 0.00 C ATOM 1389 NE ARG A 93 7.289 3.541 2.860 1.00 0.00 N ATOM 1390 CZ ARG A 93 7.085 4.716 2.275 1.00 0.00 C ATOM 1391 NH1 ARG A 93 8.067 5.308 1.609 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.897 5.301 2.355 1.00 0.00 N ATOM 0 H ARG A 93 5.991 -0.304 6.284 1.00 0.00 H new ATOM 0 HA ARG A 93 7.931 -0.884 4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.796 1.127 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 93 6.859 1.807 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.082 2.421 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.472 1.122 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.381 3.551 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.640 2.273 1.887 1.00 0.00 H new ATOM 0 HE ARG A 93 6.513 3.112 3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.982 4.861 1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.908 6.210 1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.139 4.849 2.866 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.742 6.203 1.905 1.00 0.00 H new ATOM 1406 N VAL A 94 9.876 -0.403 5.673 1.00 0.00 N ATOM 1407 CA VAL A 94 10.962 -0.404 6.645 1.00 0.00 C ATOM 1408 C VAL A 94 11.752 0.899 6.587 1.00 0.00 C ATOM 1409 O VAL A 94 12.320 1.247 5.552 1.00 0.00 O ATOM 1410 CB VAL A 94 11.923 -1.584 6.412 1.00 0.00 C ATOM 1411 CG1 VAL A 94 13.090 -1.523 7.386 1.00 0.00 C ATOM 1412 CG2 VAL A 94 11.182 -2.907 6.538 1.00 0.00 C ATOM 0 H VAL A 94 10.170 -0.580 4.712 1.00 0.00 H new ATOM 0 HA VAL A 94 10.505 -0.506 7.629 1.00 0.00 H new ATOM 0 HB VAL A 94 12.321 -1.511 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.758 -2.365 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.635 -0.590 7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.714 -1.570 8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.876 -3.730 6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.754 -2.991 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.384 -2.949 5.797 1.00 0.00 H new