USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=13 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 Set 1.1: A 33 CYS SG : rot 180:sc= 0.0961 USER MOD Set 1.2: A 73 CYS SG : rot 161:sc= 0.0971 USER MOD Set 2.1: A 18 GLN : amide:sc= -6.47! C(o=-5.4!,f=-14!) USER MOD Set 2.2: A 20 THR OG1 : rot 5:sc= 1.09 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.786 (180deg=-1.85) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.215 USER MOD Single : A 36 SER OG : rot 42:sc= -0.621 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 45 SER OG : rot 44:sc= 0.413 USER MOD Single : A 55 GLN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.394 K(o=-0.39,f=-6!) USER MOD Single : A 64 ASN : amide:sc= -2.88 X(o=-2.9,f=-3) USER MOD Single : A 70 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.078) USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= -0.101 (180deg=-0.526) USER MOD Single : A 78 HIS : no HD1:sc= -0.0985 X(o=-0.099,f=0) 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 10.323 -1.544 10.919 1.00 0.00 N ATOM 144 CA GLY A 14 9.211 -1.300 10.019 1.00 0.00 C ATOM 145 C GLY A 14 8.019 -0.684 10.724 1.00 0.00 C ATOM 146 O GLY A 14 7.807 -0.915 11.914 1.00 0.00 O ATOM 0 HA2 GLY A 14 9.536 -0.638 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.910 -2.240 9.556 1.00 0.00 H new ATOM 150 N GLU A 15 7.239 0.103 9.989 1.00 0.00 N ATOM 151 CA GLU A 15 6.064 0.756 10.553 1.00 0.00 C ATOM 152 C GLU A 15 4.904 0.741 9.561 1.00 0.00 C ATOM 153 O GLU A 15 5.109 0.780 8.348 1.00 0.00 O ATOM 154 CB GLU A 15 6.394 2.197 10.947 1.00 0.00 C ATOM 155 CG GLU A 15 5.186 2.991 11.418 1.00 0.00 C ATOM 156 CD GLU A 15 4.811 2.684 12.855 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.725 2.580 13.698 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.601 2.549 13.135 1.00 0.00 O ATOM 0 H GLU A 15 7.400 0.303 9.002 1.00 0.00 H new ATOM 0 HA GLU A 15 5.765 0.203 11.443 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.142 2.186 11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.842 2.705 10.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.395 4.056 11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.337 2.773 10.770 1.00 0.00 H new ATOM 165 N LYS A 16 3.685 0.683 10.087 1.00 0.00 N ATOM 166 CA LYS A 16 2.491 0.663 9.250 1.00 0.00 C ATOM 167 C LYS A 16 2.104 2.075 8.822 1.00 0.00 C ATOM 168 O LYS A 16 1.759 2.915 9.654 1.00 0.00 O ATOM 169 CB LYS A 16 1.329 0.009 10.000 1.00 0.00 C ATOM 170 CG LYS A 16 1.366 -1.509 9.974 1.00 0.00 C ATOM 171 CD LYS A 16 0.442 -2.108 11.021 1.00 0.00 C ATOM 172 CE LYS A 16 0.918 -3.483 11.465 1.00 0.00 C ATOM 173 NZ LYS A 16 0.552 -4.540 10.481 1.00 0.00 N ATOM 0 H LYS A 16 3.498 0.649 11.089 1.00 0.00 H new ATOM 0 HA LYS A 16 2.713 0.079 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.340 0.347 11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.389 0.349 9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.075 -1.864 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.386 -1.852 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.390 -1.444 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.567 -2.185 10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.000 -3.468 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.482 -3.723 12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.528 -5.464 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.385 -4.332 10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.258 -4.563 9.717 1.00 0.00 H new ATOM 187 N LEU A 17 2.161 2.330 7.519 1.00 0.00 N ATOM 188 CA LEU A 17 1.814 3.640 6.980 1.00 0.00 C ATOM 189 C LEU A 17 0.697 3.525 5.947 1.00 0.00 C ATOM 190 O LEU A 17 0.694 2.612 5.123 1.00 0.00 O ATOM 191 CB LEU A 17 3.043 4.295 6.348 1.00 0.00 C ATOM 192 CG LEU A 17 4.294 4.360 7.225 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.539 4.530 6.368 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.181 5.493 8.234 1.00 0.00 C ATOM 0 H LEU A 17 2.444 1.647 6.817 1.00 0.00 H new ATOM 0 HA LEU A 17 1.461 4.262 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.291 3.752 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.778 5.310 6.053 1.00 0.00 H new ATOM 0 HG LEU A 17 4.379 3.421 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.419 4.574 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.629 3.685 5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.462 5.453 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.080 5.524 8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.070 6.440 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.312 5.328 8.870 1.00 0.00 H new ATOM 206 N GLN A 18 -0.246 4.460 5.997 1.00 0.00 N ATOM 207 CA GLN A 18 -1.367 4.464 5.064 1.00 0.00 C ATOM 208 C GLN A 18 -1.210 5.574 4.029 1.00 0.00 C ATOM 209 O GLN A 18 -0.961 6.729 4.377 1.00 0.00 O ATOM 210 CB GLN A 18 -2.686 4.638 5.819 1.00 0.00 C ATOM 211 CG GLN A 18 -3.906 4.669 4.913 1.00 0.00 C ATOM 212 CD GLN A 18 -4.193 6.054 4.368 1.00 0.00 C ATOM 213 OE1 GLN A 18 -3.735 6.413 3.283 1.00 0.00 O ATOM 214 NE2 GLN A 18 -4.955 6.840 5.119 1.00 0.00 N ATOM 0 H GLN A 18 -0.256 5.224 6.673 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.378 3.506 4.544 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.796 3.823 6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.647 5.563 6.394 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.754 3.980 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.775 4.314 5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.313 6.501 6.012 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.182 7.783 4.803 1.00 0.00 H new ATOM 223 N ILE A 19 -1.357 5.216 2.758 1.00 0.00 N ATOM 224 CA ILE A 19 -1.233 6.182 1.674 1.00 0.00 C ATOM 225 C ILE A 19 -2.559 6.363 0.944 1.00 0.00 C ATOM 226 O ILE A 19 -3.149 5.399 0.455 1.00 0.00 O ATOM 227 CB ILE A 19 -0.156 5.754 0.660 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.179 5.517 1.370 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.004 6.807 -0.428 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.833 6.787 1.867 1.00 0.00 C ATOM 0 H ILE A 19 -1.562 4.264 2.454 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.939 7.129 2.127 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.469 4.820 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.018 4.846 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.860 5.011 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.761 6.490 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.953 6.931 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.289 7.755 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.774 6.543 2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.026 7.451 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.171 7.284 2.576 1.00 0.00 H new ATOM 242 N THR A 20 -3.024 7.607 0.872 1.00 0.00 N ATOM 243 CA THR A 20 -4.280 7.916 0.201 1.00 0.00 C ATOM 244 C THR A 20 -4.034 8.495 -1.187 1.00 0.00 C ATOM 245 O THR A 20 -3.450 9.570 -1.327 1.00 0.00 O ATOM 246 CB THR A 20 -5.123 8.912 1.018 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.225 8.469 2.376 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.515 9.059 0.422 1.00 0.00 C ATOM 0 H THR A 20 -2.549 8.417 1.271 1.00 0.00 H new ATOM 0 HA THR A 20 -4.828 6.978 0.109 1.00 0.00 H new ATOM 0 HB THR A 20 -4.628 9.883 0.989 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.668 7.673 2.503 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.092 9.768 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.436 9.424 -0.602 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.016 8.091 0.424 1.00 0.00 H new ATOM 256 N ILE A 21 -4.483 7.777 -2.211 1.00 0.00 N ATOM 257 CA ILE A 21 -4.312 8.222 -3.589 1.00 0.00 C ATOM 258 C ILE A 21 -5.627 8.733 -4.168 1.00 0.00 C ATOM 259 O ILE A 21 -6.658 8.067 -4.076 1.00 0.00 O ATOM 260 CB ILE A 21 -3.776 7.089 -4.484 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.439 6.575 -3.946 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.625 7.574 -5.918 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.015 5.252 -4.545 1.00 0.00 C ATOM 0 H ILE A 21 -4.968 6.885 -2.113 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.585 9.034 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.491 6.267 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.667 7.318 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.509 6.469 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.245 6.762 -6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.595 7.897 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.927 8.410 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.059 4.949 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.768 4.495 -4.324 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.912 5.358 -5.625 1.00 0.00 H new ATOM 275 N ARG A 22 -5.582 9.918 -4.767 1.00 0.00 N ATOM 276 CA ARG A 22 -6.770 10.519 -5.362 1.00 0.00 C ATOM 277 C ARG A 22 -6.648 10.573 -6.883 1.00 0.00 C ATOM 278 O ARG A 22 -5.694 11.138 -7.419 1.00 0.00 O ATOM 279 CB ARG A 22 -6.988 11.927 -4.807 1.00 0.00 C ATOM 280 CG ARG A 22 -7.690 11.949 -3.459 1.00 0.00 C ATOM 281 CD ARG A 22 -8.015 13.368 -3.022 1.00 0.00 C ATOM 282 NE ARG A 22 -9.112 13.407 -2.059 1.00 0.00 N ATOM 283 CZ ARG A 22 -10.355 13.035 -2.346 1.00 0.00 C ATOM 284 NH1 ARG A 22 -10.656 12.597 -3.560 1.00 0.00 N ATOM 285 NH2 ARG A 22 -11.299 13.099 -1.415 1.00 0.00 N ATOM 0 H ARG A 22 -4.736 10.481 -4.853 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.628 9.898 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.023 12.424 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.575 12.503 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.609 11.366 -3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.057 11.473 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.129 13.823 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.278 13.965 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.913 13.738 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.933 12.545 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.611 12.312 -3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.070 13.434 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.253 12.813 -1.636 1.00 0.00 H new ATOM 299 N ARG A 23 -7.619 9.982 -7.571 1.00 0.00 N ATOM 300 CA ARG A 23 -7.619 9.961 -9.028 1.00 0.00 C ATOM 301 C ARG A 23 -7.294 11.341 -9.592 1.00 0.00 C ATOM 302 O ARG A 23 -8.086 12.275 -9.471 1.00 0.00 O ATOM 303 CB ARG A 23 -8.977 9.492 -9.553 1.00 0.00 C ATOM 304 CG ARG A 23 -9.192 9.780 -11.030 1.00 0.00 C ATOM 305 CD ARG A 23 -10.258 8.872 -11.624 1.00 0.00 C ATOM 306 NE ARG A 23 -9.693 7.627 -12.137 1.00 0.00 N ATOM 307 CZ ARG A 23 -10.285 6.876 -13.059 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.452 7.244 -13.569 1.00 0.00 N ATOM 309 NH2 ARG A 23 -9.708 5.756 -13.475 1.00 0.00 N ATOM 0 H ARG A 23 -8.416 9.511 -7.142 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.849 9.262 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.072 8.420 -9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.766 9.977 -8.978 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.486 10.822 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.254 9.644 -11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.005 8.645 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.772 9.396 -12.430 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.794 7.317 -11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.897 8.106 -13.254 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.904 6.666 -14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.809 5.471 -13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.164 5.180 -14.183 1.00 0.00 H new ATOM 371 N PHE A 28 -5.274 6.274 -11.407 1.00 0.00 N ATOM 372 CA PHE A 28 -4.778 6.706 -10.106 1.00 0.00 C ATOM 373 C PHE A 28 -3.342 7.211 -10.213 1.00 0.00 C ATOM 374 O PHE A 28 -3.032 8.328 -9.799 1.00 0.00 O ATOM 375 CB PHE A 28 -4.852 5.556 -9.100 1.00 0.00 C ATOM 376 CG PHE A 28 -6.254 5.211 -8.687 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.902 5.945 -7.706 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.925 4.154 -9.280 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.192 5.629 -7.323 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.215 3.833 -8.902 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.850 4.572 -7.923 1.00 0.00 C ATOM 0 HA PHE A 28 -5.408 7.524 -9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.382 4.673 -9.534 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.275 5.821 -8.214 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.393 6.773 -7.235 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.434 3.574 -10.047 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.685 6.207 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.726 3.005 -9.371 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.859 4.324 -7.627 1.00 0.00 H new ATOM 391 N GLY A 29 -2.468 6.379 -10.772 1.00 0.00 N ATOM 392 CA GLY A 29 -1.075 6.758 -10.922 1.00 0.00 C ATOM 393 C GLY A 29 -0.130 5.594 -10.699 1.00 0.00 C ATOM 394 O GLY A 29 0.767 5.350 -11.506 1.00 0.00 O ATOM 0 H GLY A 29 -2.700 5.450 -11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.918 7.163 -11.922 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.840 7.553 -10.215 1.00 0.00 H new ATOM 398 N PHE A 30 -0.330 4.874 -9.600 1.00 0.00 N ATOM 399 CA PHE A 30 0.513 3.731 -9.271 1.00 0.00 C ATOM 400 C PHE A 30 -0.115 2.431 -9.767 1.00 0.00 C ATOM 401 O PHE A 30 -1.338 2.309 -9.846 1.00 0.00 O ATOM 402 CB PHE A 30 0.741 3.656 -7.760 1.00 0.00 C ATOM 403 CG PHE A 30 -0.292 2.839 -7.037 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.640 2.998 -7.318 1.00 0.00 C ATOM 405 CD2 PHE A 30 0.084 1.913 -6.079 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.593 2.248 -6.654 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.864 1.160 -5.412 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.204 1.327 -5.701 1.00 0.00 C ATOM 0 H PHE A 30 -1.069 5.062 -8.922 1.00 0.00 H new ATOM 0 HA PHE A 30 1.473 3.864 -9.770 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.727 3.231 -7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.745 4.666 -7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.949 3.715 -8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.131 1.777 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.640 2.382 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.557 0.442 -4.666 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.947 0.738 -5.183 1.00 0.00 H new ATOM 418 N THR A 31 0.731 1.462 -10.101 1.00 0.00 N ATOM 419 CA THR A 31 0.260 0.172 -10.590 1.00 0.00 C ATOM 420 C THR A 31 0.564 -0.939 -9.592 1.00 0.00 C ATOM 421 O THR A 31 1.601 -0.924 -8.928 1.00 0.00 O ATOM 422 CB THR A 31 0.901 -0.182 -11.946 1.00 0.00 C ATOM 423 OG1 THR A 31 0.897 0.964 -12.804 1.00 0.00 O ATOM 424 CG2 THR A 31 0.154 -1.326 -12.615 1.00 0.00 C ATOM 0 H THR A 31 1.746 1.546 -10.042 1.00 0.00 H new ATOM 0 HA THR A 31 -0.819 0.257 -10.717 1.00 0.00 H new ATOM 0 HB THR A 31 1.929 -0.496 -11.766 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.308 0.731 -13.663 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.624 -1.558 -13.570 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.185 -2.206 -11.972 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.883 -1.035 -12.782 1.00 0.00 H new ATOM 432 N ILE A 32 -0.346 -1.902 -9.491 1.00 0.00 N ATOM 433 CA ILE A 32 -0.173 -3.023 -8.575 1.00 0.00 C ATOM 434 C ILE A 32 -0.852 -4.279 -9.109 1.00 0.00 C ATOM 435 O ILE A 32 -2.050 -4.277 -9.395 1.00 0.00 O ATOM 436 CB ILE A 32 -0.740 -2.700 -7.179 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.249 -2.461 -7.261 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.036 -1.488 -6.589 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.072 -3.715 -7.069 1.00 0.00 C ATOM 0 H ILE A 32 -1.210 -1.929 -10.032 1.00 0.00 H new ATOM 0 HA ILE A 32 0.899 -3.201 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.562 -3.553 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.534 -1.730 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.487 -2.025 -8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.448 -1.272 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.031 -1.694 -6.500 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.186 -0.627 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.132 -3.469 -7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.815 -4.440 -7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.863 -4.141 -6.087 1.00 0.00 H new ATOM 451 N CYS A 33 -0.079 -5.352 -9.239 1.00 0.00 N ATOM 452 CA CYS A 33 -0.606 -6.618 -9.738 1.00 0.00 C ATOM 453 C CYS A 33 0.165 -7.796 -9.151 1.00 0.00 C ATOM 454 O CYS A 33 1.385 -7.884 -9.291 1.00 0.00 O ATOM 455 CB CYS A 33 -0.535 -6.657 -11.265 1.00 0.00 C ATOM 456 SG CYS A 33 -1.020 -8.242 -11.986 1.00 0.00 S ATOM 0 H CYS A 33 0.914 -5.371 -9.006 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.648 -6.698 -9.428 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.178 -5.875 -11.668 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.483 -6.425 -11.577 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.929 -8.176 -13.281 1.00 0.00 H new ATOM 462 N CYS A 34 -0.555 -8.697 -8.492 1.00 0.00 N ATOM 463 CA CYS A 34 0.060 -9.870 -7.881 1.00 0.00 C ATOM 464 C CYS A 34 -0.998 -10.794 -7.289 1.00 0.00 C ATOM 465 O CYS A 34 -2.194 -10.511 -7.361 1.00 0.00 O ATOM 466 CB CYS A 34 1.049 -9.444 -6.795 1.00 0.00 C ATOM 467 SG CYS A 34 2.434 -10.585 -6.569 1.00 0.00 S ATOM 0 H CYS A 34 -1.566 -8.638 -8.367 1.00 0.00 H new ATOM 0 HA CYS A 34 0.596 -10.415 -8.658 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.441 -8.458 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.515 -9.346 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 34 3.216 -10.138 -5.631 1.00 0.00 H new ATOM 473 N ASP A 35 -0.551 -11.899 -6.704 1.00 0.00 N ATOM 474 CA ASP A 35 -1.460 -12.866 -6.099 1.00 0.00 C ATOM 475 C ASP A 35 -1.369 -12.820 -4.577 1.00 0.00 C ATOM 476 O ASP A 35 -0.276 -12.814 -4.011 1.00 0.00 O ATOM 477 CB ASP A 35 -1.144 -14.277 -6.598 1.00 0.00 C ATOM 478 CG ASP A 35 0.335 -14.481 -6.860 1.00 0.00 C ATOM 479 OD1 ASP A 35 1.154 -13.838 -6.171 1.00 0.00 O ATOM 480 OD2 ASP A 35 0.674 -15.284 -7.754 1.00 0.00 O ATOM 0 H ASP A 35 0.436 -12.148 -6.636 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.477 -12.604 -6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.483 -15.004 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.702 -14.469 -7.514 1.00 0.00 H new ATOM 485 N SER A 36 -2.524 -12.785 -3.921 1.00 0.00 N ATOM 486 CA SER A 36 -2.574 -12.734 -2.464 1.00 0.00 C ATOM 487 C SER A 36 -1.426 -13.532 -1.852 1.00 0.00 C ATOM 488 O SER A 36 -1.263 -14.726 -2.104 1.00 0.00 O ATOM 489 CB SER A 36 -3.913 -13.277 -1.960 1.00 0.00 C ATOM 490 OG SER A 36 -4.246 -14.494 -2.605 1.00 0.00 O ATOM 0 H SER A 36 -3.438 -12.791 -4.375 1.00 0.00 H new ATOM 0 HA SER A 36 -2.473 -11.693 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.862 -13.435 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.697 -12.541 -2.138 1.00 0.00 H new ATOM 0 HG SER A 36 -3.447 -15.057 -2.674 1.00 0.00 H new ATOM 496 N PRO A 37 -0.611 -12.856 -1.029 1.00 0.00 N ATOM 497 CA PRO A 37 -0.795 -11.435 -0.723 1.00 0.00 C ATOM 498 C PRO A 37 -0.489 -10.540 -1.920 1.00 0.00 C ATOM 499 O PRO A 37 0.366 -10.861 -2.745 1.00 0.00 O ATOM 500 CB PRO A 37 0.209 -11.182 0.404 1.00 0.00 C ATOM 501 CG PRO A 37 1.260 -12.220 0.216 1.00 0.00 C ATOM 502 CD PRO A 37 0.555 -13.429 -0.334 1.00 0.00 C ATOM 0 HA PRO A 37 -1.826 -11.206 -0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.629 -10.178 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.264 -11.270 1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.033 -11.873 -0.470 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.753 -12.452 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.193 -13.991 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.254 -14.114 0.459 1.00 0.00 H new ATOM 510 N VAL A 38 -1.192 -9.415 -2.007 1.00 0.00 N ATOM 511 CA VAL A 38 -0.995 -8.473 -3.102 1.00 0.00 C ATOM 512 C VAL A 38 0.212 -7.577 -2.844 1.00 0.00 C ATOM 513 O VAL A 38 0.443 -7.139 -1.717 1.00 0.00 O ATOM 514 CB VAL A 38 -2.239 -7.591 -3.315 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.010 -6.609 -4.454 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.464 -8.453 -3.582 1.00 0.00 C ATOM 0 H VAL A 38 -1.903 -9.134 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.821 -9.064 -4.001 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.417 -7.019 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.900 -5.995 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.160 -5.969 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.806 -7.159 -5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.334 -7.813 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.299 -9.053 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.638 -9.111 -2.731 1.00 0.00 H new ATOM 526 N ARG A 39 0.977 -7.308 -3.897 1.00 0.00 N ATOM 527 CA ARG A 39 2.161 -6.464 -3.785 1.00 0.00 C ATOM 528 C ARG A 39 2.126 -5.340 -4.816 1.00 0.00 C ATOM 529 O ARG A 39 1.290 -5.337 -5.720 1.00 0.00 O ATOM 530 CB ARG A 39 3.429 -7.301 -3.969 1.00 0.00 C ATOM 531 CG ARG A 39 3.713 -8.239 -2.808 1.00 0.00 C ATOM 532 CD ARG A 39 5.118 -8.815 -2.887 1.00 0.00 C ATOM 533 NE ARG A 39 5.261 -10.025 -2.082 1.00 0.00 N ATOM 534 CZ ARG A 39 6.321 -10.823 -2.137 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.326 -10.541 -2.954 1.00 0.00 N ATOM 536 NH2 ARG A 39 6.377 -11.906 -1.373 1.00 0.00 N ATOM 0 H ARG A 39 0.798 -7.662 -4.837 1.00 0.00 H new ATOM 0 HA ARG A 39 2.168 -6.020 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.338 -7.886 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.280 -6.632 -4.101 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.591 -7.702 -1.867 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.985 -9.051 -2.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.359 -9.040 -3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.835 -8.068 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 39 4.505 -10.271 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.287 -9.709 -3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.139 -11.156 -2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.606 -12.126 -0.743 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.191 -12.519 -1.416 1.00 0.00 H new ATOM 550 N VAL A 40 3.040 -4.385 -4.674 1.00 0.00 N ATOM 551 CA VAL A 40 3.115 -3.255 -5.592 1.00 0.00 C ATOM 552 C VAL A 40 3.996 -3.581 -6.793 1.00 0.00 C ATOM 553 O VAL A 40 5.011 -4.265 -6.663 1.00 0.00 O ATOM 554 CB VAL A 40 3.665 -1.998 -4.892 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.525 -0.781 -5.793 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.956 -1.774 -3.566 1.00 0.00 C ATOM 0 H VAL A 40 3.739 -4.372 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 40 2.099 -3.056 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 40 4.725 -2.150 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.919 0.097 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.083 -0.945 -6.715 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.473 -0.622 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.357 -0.882 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.888 -1.643 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.113 -2.637 -2.919 1.00 0.00 H new ATOM 566 N GLN A 41 3.601 -3.087 -7.962 1.00 0.00 N ATOM 567 CA GLN A 41 4.355 -3.326 -9.187 1.00 0.00 C ATOM 568 C GLN A 41 5.376 -2.218 -9.422 1.00 0.00 C ATOM 569 O GLN A 41 6.578 -2.473 -9.489 1.00 0.00 O ATOM 570 CB GLN A 41 3.407 -3.424 -10.383 1.00 0.00 C ATOM 571 CG GLN A 41 4.102 -3.806 -11.680 1.00 0.00 C ATOM 572 CD GLN A 41 4.246 -5.306 -11.845 1.00 0.00 C ATOM 573 OE1 GLN A 41 3.255 -6.037 -11.878 1.00 0.00 O ATOM 574 NE2 GLN A 41 5.484 -5.774 -11.950 1.00 0.00 N ATOM 0 H GLN A 41 2.763 -2.519 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 41 4.889 -4.270 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.634 -4.161 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.905 -2.466 -10.518 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.538 -3.404 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.089 -3.345 -11.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.276 -5.132 -11.918 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.643 -6.775 -12.063 1.00 0.00 H new ATOM 583 N ALA A 42 4.889 -0.988 -9.548 1.00 0.00 N ATOM 584 CA ALA A 42 5.761 0.159 -9.774 1.00 0.00 C ATOM 585 C ALA A 42 5.031 1.467 -9.490 1.00 0.00 C ATOM 586 O ALA A 42 3.819 1.568 -9.681 1.00 0.00 O ATOM 587 CB ALA A 42 6.290 0.146 -11.200 1.00 0.00 C ATOM 0 H ALA A 42 3.896 -0.760 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 42 6.603 0.086 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.939 1.008 -11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.856 -0.770 -11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.454 0.191 -11.898 1.00 0.00 H new ATOM 593 N VAL A 43 5.776 2.468 -9.031 1.00 0.00 N ATOM 594 CA VAL A 43 5.199 3.770 -8.720 1.00 0.00 C ATOM 595 C VAL A 43 5.571 4.802 -9.779 1.00 0.00 C ATOM 596 O VAL A 43 6.709 4.844 -10.247 1.00 0.00 O ATOM 597 CB VAL A 43 5.663 4.276 -7.341 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.077 5.649 -7.050 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.282 3.282 -6.254 1.00 0.00 C ATOM 0 H VAL A 43 6.780 2.402 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 43 4.117 3.641 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 43 6.749 4.368 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.416 5.989 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.406 6.354 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.989 5.589 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.617 3.655 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.199 3.156 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.756 2.322 -6.457 1.00 0.00 H new ATOM 609 N ASP A 44 4.605 5.634 -10.152 1.00 0.00 N ATOM 610 CA ASP A 44 4.831 6.669 -11.155 1.00 0.00 C ATOM 611 C ASP A 44 5.531 7.877 -10.541 1.00 0.00 C ATOM 612 O ASP A 44 5.022 8.492 -9.603 1.00 0.00 O ATOM 613 CB ASP A 44 3.504 7.097 -11.784 1.00 0.00 C ATOM 614 CG ASP A 44 3.681 7.660 -13.180 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.500 7.106 -13.944 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.001 8.654 -13.510 1.00 0.00 O ATOM 0 H ASP A 44 3.657 5.612 -9.775 1.00 0.00 H new ATOM 0 HA ASP A 44 5.475 6.255 -11.931 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.831 6.241 -11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.030 7.846 -11.150 1.00 0.00 H new ATOM 621 N SER A 45 6.701 8.212 -11.075 1.00 0.00 N ATOM 622 CA SER A 45 7.473 9.344 -10.577 1.00 0.00 C ATOM 623 C SER A 45 6.840 10.664 -11.005 1.00 0.00 C ATOM 624 O SER A 45 6.803 10.992 -12.190 1.00 0.00 O ATOM 625 CB SER A 45 8.914 9.268 -11.084 1.00 0.00 C ATOM 626 OG SER A 45 8.953 9.187 -12.498 1.00 0.00 O ATOM 0 H SER A 45 7.135 7.715 -11.853 1.00 0.00 H new ATOM 0 HA SER A 45 7.476 9.299 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.467 10.147 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.409 8.398 -10.653 1.00 0.00 H new ATOM 0 HG SER A 45 8.318 9.828 -12.880 1.00 0.00 H new ATOM 632 N GLY A 46 6.341 11.418 -10.030 1.00 0.00 N ATOM 633 CA GLY A 46 5.716 12.694 -10.324 1.00 0.00 C ATOM 634 C GLY A 46 4.209 12.585 -10.452 1.00 0.00 C ATOM 635 O GLY A 46 3.607 13.203 -11.329 1.00 0.00 O ATOM 0 H GLY A 46 6.359 11.167 -9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.960 13.405 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.129 13.092 -11.251 1.00 0.00 H new ATOM 639 N GLY A 47 3.598 11.794 -9.576 1.00 0.00 N ATOM 640 CA GLY A 47 2.157 11.619 -9.613 1.00 0.00 C ATOM 641 C GLY A 47 1.523 11.740 -8.242 1.00 0.00 C ATOM 642 O GLY A 47 2.153 12.176 -7.279 1.00 0.00 O ATOM 0 H GLY A 47 4.074 11.271 -8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.721 12.364 -10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.924 10.641 -10.033 1.00 0.00 H new ATOM 646 N PRO A 48 0.244 11.347 -8.141 1.00 0.00 N ATOM 647 CA PRO A 48 -0.504 11.405 -6.882 1.00 0.00 C ATOM 648 C PRO A 48 -0.008 10.383 -5.865 1.00 0.00 C ATOM 649 O PRO A 48 -0.035 10.629 -4.659 1.00 0.00 O ATOM 650 CB PRO A 48 -1.939 11.083 -7.307 1.00 0.00 C ATOM 651 CG PRO A 48 -1.794 10.285 -8.556 1.00 0.00 C ATOM 652 CD PRO A 48 -0.569 10.817 -9.248 1.00 0.00 C ATOM 0 HA PRO A 48 -0.397 12.371 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.463 10.519 -6.536 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.513 11.993 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.685 9.224 -8.331 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.675 10.388 -9.189 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.043 10.033 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.821 11.594 -9.970 1.00 0.00 H new ATOM 660 N ALA A 49 0.446 9.236 -6.359 1.00 0.00 N ATOM 661 CA ALA A 49 0.951 8.178 -5.493 1.00 0.00 C ATOM 662 C ALA A 49 2.283 8.572 -4.864 1.00 0.00 C ATOM 663 O ALA A 49 2.457 8.478 -3.649 1.00 0.00 O ATOM 664 CB ALA A 49 1.097 6.881 -6.275 1.00 0.00 C ATOM 0 H ALA A 49 0.474 9.016 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 49 0.231 8.026 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.475 6.099 -5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.126 6.584 -6.671 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.795 7.030 -7.099 1.00 0.00 H new ATOM 670 N GLU A 50 3.219 9.012 -5.699 1.00 0.00 N ATOM 671 CA GLU A 50 4.536 9.419 -5.223 1.00 0.00 C ATOM 672 C GLU A 50 4.419 10.517 -4.170 1.00 0.00 C ATOM 673 O GLU A 50 4.906 10.372 -3.049 1.00 0.00 O ATOM 674 CB GLU A 50 5.397 9.905 -6.390 1.00 0.00 C ATOM 675 CG GLU A 50 6.884 9.671 -6.188 1.00 0.00 C ATOM 676 CD GLU A 50 7.740 10.615 -7.011 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.496 11.838 -6.956 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.655 10.129 -7.709 1.00 0.00 O ATOM 0 H GLU A 50 3.090 9.096 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 50 5.013 8.552 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.079 9.398 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.223 10.970 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.127 9.793 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.126 8.642 -6.454 1.00 0.00 H new ATOM 685 N ARG A 51 3.769 11.616 -4.540 1.00 0.00 N ATOM 686 CA ARG A 51 3.589 12.741 -3.630 1.00 0.00 C ATOM 687 C ARG A 51 3.029 12.271 -2.290 1.00 0.00 C ATOM 688 O ARG A 51 3.501 12.683 -1.231 1.00 0.00 O ATOM 689 CB ARG A 51 2.654 13.781 -4.249 1.00 0.00 C ATOM 690 CG ARG A 51 3.248 14.494 -5.453 1.00 0.00 C ATOM 691 CD ARG A 51 2.445 15.732 -5.819 1.00 0.00 C ATOM 692 NE ARG A 51 3.111 16.533 -6.842 1.00 0.00 N ATOM 693 CZ ARG A 51 2.473 17.377 -7.646 1.00 0.00 C ATOM 694 NH1 ARG A 51 1.160 17.529 -7.545 1.00 0.00 N ATOM 695 NH2 ARG A 51 3.149 18.072 -8.552 1.00 0.00 N ATOM 0 H ARG A 51 3.358 11.751 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 51 4.564 13.197 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.727 13.292 -4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.394 14.520 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.278 14.778 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.276 13.813 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.460 15.432 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.289 16.339 -4.928 1.00 0.00 H new ATOM 0 HE ARG A 51 4.121 16.440 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.637 16.997 -6.849 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.673 18.177 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.160 17.959 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.658 18.720 -9.169 1.00 0.00 H new ATOM 709 N ALA A 52 2.021 11.407 -2.346 1.00 0.00 N ATOM 710 CA ALA A 52 1.398 10.881 -1.138 1.00 0.00 C ATOM 711 C ALA A 52 2.415 10.145 -0.272 1.00 0.00 C ATOM 712 O ALA A 52 2.394 10.253 0.954 1.00 0.00 O ATOM 713 CB ALA A 52 0.243 9.958 -1.499 1.00 0.00 C ATOM 0 H ALA A 52 1.618 11.056 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 52 1.011 11.722 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.213 9.572 -0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.501 10.513 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.615 9.127 -2.098 1.00 0.00 H new ATOM 719 N GLY A 53 3.304 9.397 -0.917 1.00 0.00 N ATOM 720 CA GLY A 53 4.316 8.654 -0.190 1.00 0.00 C ATOM 721 C GLY A 53 4.224 7.160 -0.431 1.00 0.00 C ATOM 722 O GLY A 53 4.385 6.363 0.495 1.00 0.00 O ATOM 0 H GLY A 53 3.342 9.292 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.304 9.006 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.213 8.854 0.877 1.00 0.00 H new ATOM 726 N LEU A 54 3.964 6.778 -1.676 1.00 0.00 N ATOM 727 CA LEU A 54 3.848 5.369 -2.036 1.00 0.00 C ATOM 728 C LEU A 54 5.175 4.832 -2.563 1.00 0.00 C ATOM 729 O LEU A 54 5.849 5.487 -3.357 1.00 0.00 O ATOM 730 CB LEU A 54 2.754 5.179 -3.088 1.00 0.00 C ATOM 731 CG LEU A 54 2.062 3.816 -3.098 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.768 3.880 -3.895 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.989 2.752 -3.668 1.00 0.00 C ATOM 0 H LEU A 54 3.829 7.424 -2.454 1.00 0.00 H new ATOM 0 HA LEU A 54 3.581 4.811 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.996 5.948 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.191 5.350 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 54 1.819 3.546 -2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.289 2.901 -3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.099 4.613 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.987 4.172 -4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.480 1.788 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.263 3.017 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.889 2.688 -3.056 1.00 0.00 H new ATOM 745 N GLN A 55 5.542 3.635 -2.117 1.00 0.00 N ATOM 746 CA GLN A 55 6.787 3.009 -2.545 1.00 0.00 C ATOM 747 C GLN A 55 6.514 1.703 -3.284 1.00 0.00 C ATOM 748 O GLN A 55 5.499 1.048 -3.051 1.00 0.00 O ATOM 749 CB GLN A 55 7.691 2.746 -1.339 1.00 0.00 C ATOM 750 CG GLN A 55 9.141 2.484 -1.712 1.00 0.00 C ATOM 751 CD GLN A 55 10.044 2.371 -0.499 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.965 3.169 -0.320 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.785 1.376 0.342 1.00 0.00 N ATOM 0 H GLN A 55 4.995 3.079 -1.459 1.00 0.00 H new ATOM 0 HA GLN A 55 7.292 3.693 -3.227 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.646 3.604 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.306 1.889 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.202 1.564 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.499 3.290 -2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.012 0.738 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.360 1.250 1.175 1.00 0.00 H new ATOM 762 N GLN A 56 7.427 1.333 -4.177 1.00 0.00 N ATOM 763 CA GLN A 56 7.283 0.106 -4.952 1.00 0.00 C ATOM 764 C GLN A 56 7.768 -1.101 -4.155 1.00 0.00 C ATOM 765 O GLN A 56 8.528 -0.960 -3.196 1.00 0.00 O ATOM 766 CB GLN A 56 8.061 0.212 -6.264 1.00 0.00 C ATOM 767 CG GLN A 56 9.557 0.404 -6.070 1.00 0.00 C ATOM 768 CD GLN A 56 10.271 0.764 -7.358 1.00 0.00 C ATOM 769 OE1 GLN A 56 10.696 1.904 -7.548 1.00 0.00 O ATOM 770 NE2 GLN A 56 10.406 -0.209 -8.252 1.00 0.00 N ATOM 0 H GLN A 56 8.273 1.865 -4.381 1.00 0.00 H new ATOM 0 HA GLN A 56 6.225 -0.031 -5.176 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.892 -0.691 -6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.668 1.047 -6.844 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.726 1.190 -5.334 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.987 -0.512 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.038 -1.139 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.877 -0.026 -9.138 1.00 0.00 H new ATOM 779 N LEU A 57 7.324 -2.286 -4.557 1.00 0.00 N ATOM 780 CA LEU A 57 7.712 -3.519 -3.881 1.00 0.00 C ATOM 781 C LEU A 57 7.196 -3.538 -2.446 1.00 0.00 C ATOM 782 O LEU A 57 7.926 -3.890 -1.518 1.00 0.00 O ATOM 783 CB LEU A 57 9.234 -3.671 -3.890 1.00 0.00 C ATOM 784 CG LEU A 57 9.906 -3.615 -5.263 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.415 -3.492 -5.114 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.548 -4.846 -6.082 1.00 0.00 C ATOM 0 H LEU A 57 6.694 -2.420 -5.348 1.00 0.00 H new ATOM 0 HA LEU A 57 7.266 -4.356 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.661 -2.886 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.487 -4.623 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 57 9.540 -2.734 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.876 -3.454 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.653 -2.580 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.798 -4.354 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.035 -4.789 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.885 -5.741 -5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.468 -4.891 -6.219 1.00 0.00 H new ATOM 798 N ASP A 58 5.935 -3.160 -2.271 1.00 0.00 N ATOM 799 CA ASP A 58 5.320 -3.136 -0.948 1.00 0.00 C ATOM 800 C ASP A 58 4.212 -4.180 -0.846 1.00 0.00 C ATOM 801 O ASP A 58 3.621 -4.575 -1.852 1.00 0.00 O ATOM 802 CB ASP A 58 4.758 -1.746 -0.648 1.00 0.00 C ATOM 803 CG ASP A 58 5.832 -0.770 -0.209 1.00 0.00 C ATOM 804 OD1 ASP A 58 7.021 -1.030 -0.489 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.483 0.254 0.414 1.00 0.00 O ATOM 0 H ASP A 58 5.318 -2.866 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 58 6.088 -3.374 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.261 -1.359 -1.537 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.001 -1.824 0.132 1.00 0.00 H new ATOM 810 N THR A 59 3.935 -4.623 0.376 1.00 0.00 N ATOM 811 CA THR A 59 2.900 -5.622 0.610 1.00 0.00 C ATOM 812 C THR A 59 1.625 -4.979 1.145 1.00 0.00 C ATOM 813 O THR A 59 1.647 -4.289 2.164 1.00 0.00 O ATOM 814 CB THR A 59 3.373 -6.700 1.604 1.00 0.00 C ATOM 815 OG1 THR A 59 4.593 -7.290 1.142 1.00 0.00 O ATOM 816 CG2 THR A 59 2.315 -7.779 1.776 1.00 0.00 C ATOM 0 H THR A 59 4.413 -4.306 1.219 1.00 0.00 H new ATOM 0 HA THR A 59 2.692 -6.091 -0.352 1.00 0.00 H new ATOM 0 HB THR A 59 3.543 -6.223 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.888 -7.973 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.672 -8.529 2.482 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.397 -7.331 2.155 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.118 -8.252 0.814 1.00 0.00 H new ATOM 824 N VAL A 60 0.515 -5.209 0.450 1.00 0.00 N ATOM 825 CA VAL A 60 -0.770 -4.653 0.857 1.00 0.00 C ATOM 826 C VAL A 60 -1.326 -5.386 2.073 1.00 0.00 C ATOM 827 O VAL A 60 -1.661 -6.569 1.998 1.00 0.00 O ATOM 828 CB VAL A 60 -1.799 -4.724 -0.287 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.064 -3.966 0.086 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.201 -4.179 -1.575 1.00 0.00 C ATOM 0 H VAL A 60 0.480 -5.776 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.596 -3.608 1.115 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.065 -5.768 -0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.780 -4.027 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.501 -4.406 0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.819 -2.921 0.277 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.941 -4.237 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.906 -3.140 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.326 -4.769 -1.848 1.00 0.00 H new ATOM 840 N LEU A 61 -1.422 -4.676 3.191 1.00 0.00 N ATOM 841 CA LEU A 61 -1.939 -5.258 4.425 1.00 0.00 C ATOM 842 C LEU A 61 -3.464 -5.229 4.444 1.00 0.00 C ATOM 843 O LEU A 61 -4.113 -6.272 4.510 1.00 0.00 O ATOM 844 CB LEU A 61 -1.387 -4.506 5.637 1.00 0.00 C ATOM 845 CG LEU A 61 0.066 -4.803 6.007 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.430 -4.134 7.324 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.301 -6.304 6.087 1.00 0.00 C ATOM 0 H LEU A 61 -1.149 -3.696 3.269 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.614 -6.297 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.482 -3.436 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.014 -4.736 6.498 1.00 0.00 H new ATOM 0 HG LEU A 61 0.709 -4.396 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.468 -4.357 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.303 -3.055 7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.220 -4.510 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.341 -6.496 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.352 -6.735 6.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.083 -6.758 5.121 1.00 0.00 H new ATOM 859 N GLN A 62 -4.028 -4.027 4.384 1.00 0.00 N ATOM 860 CA GLN A 62 -5.477 -3.862 4.393 1.00 0.00 C ATOM 861 C GLN A 62 -5.889 -2.625 3.602 1.00 0.00 C ATOM 862 O GLN A 62 -5.132 -1.659 3.501 1.00 0.00 O ATOM 863 CB GLN A 62 -5.990 -3.757 5.830 1.00 0.00 C ATOM 864 CG GLN A 62 -5.735 -2.402 6.470 1.00 0.00 C ATOM 865 CD GLN A 62 -5.998 -2.402 7.963 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.185 -1.914 8.748 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.138 -2.952 8.363 1.00 0.00 N ATOM 0 H GLN A 62 -3.504 -3.154 4.329 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.920 -4.738 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.061 -3.958 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.515 -4.530 6.434 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.702 -2.107 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.369 -1.654 5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.783 -3.345 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.369 -2.982 9.356 1.00 0.00 H new ATOM 876 N LEU A 63 -7.093 -2.662 3.041 1.00 0.00 N ATOM 877 CA LEU A 63 -7.606 -1.544 2.258 1.00 0.00 C ATOM 878 C LEU A 63 -8.973 -1.102 2.771 1.00 0.00 C ATOM 879 O LEU A 63 -9.771 -1.920 3.224 1.00 0.00 O ATOM 880 CB LEU A 63 -7.705 -1.933 0.781 1.00 0.00 C ATOM 881 CG LEU A 63 -8.879 -1.334 0.006 1.00 0.00 C ATOM 882 CD1 LEU A 63 -8.495 -1.098 -1.446 1.00 0.00 C ATOM 883 CD2 LEU A 63 -10.096 -2.242 0.097 1.00 0.00 C ATOM 0 H LEU A 63 -7.732 -3.454 3.114 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.912 -0.710 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.780 -1.638 0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.769 -3.019 0.716 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.133 -0.373 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.343 -0.671 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.652 -0.408 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.214 -2.045 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.922 -1.800 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.854 -3.218 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.385 -2.360 1.141 1.00 0.00 H new ATOM 895 N ASN A 64 -9.235 0.199 2.694 1.00 0.00 N ATOM 896 CA ASN A 64 -10.506 0.750 3.149 1.00 0.00 C ATOM 897 C ASN A 64 -10.914 0.143 4.488 1.00 0.00 C ATOM 898 O ASN A 64 -12.097 -0.079 4.744 1.00 0.00 O ATOM 899 CB ASN A 64 -11.598 0.497 2.107 1.00 0.00 C ATOM 900 CG ASN A 64 -11.233 1.045 0.741 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.545 0.443 -0.285 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.566 2.194 0.724 1.00 0.00 N ATOM 0 H ASN A 64 -8.584 0.891 2.321 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.381 1.825 3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.780 -0.575 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.529 0.955 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.292 2.611 -0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.328 2.659 1.600 1.00 0.00 H new ATOM 909 N GLU A 65 -9.927 -0.121 5.337 1.00 0.00 N ATOM 910 CA GLU A 65 -10.184 -0.703 6.649 1.00 0.00 C ATOM 911 C GLU A 65 -10.794 -2.095 6.517 1.00 0.00 C ATOM 912 O GLU A 65 -11.659 -2.483 7.304 1.00 0.00 O ATOM 913 CB GLU A 65 -11.117 0.200 7.458 1.00 0.00 C ATOM 914 CG GLU A 65 -10.491 1.530 7.847 1.00 0.00 C ATOM 915 CD GLU A 65 -11.485 2.476 8.491 1.00 0.00 C ATOM 916 OE1 GLU A 65 -12.635 2.547 8.011 1.00 0.00 O ATOM 917 OE2 GLU A 65 -11.112 3.146 9.477 1.00 0.00 O ATOM 0 H GLU A 65 -8.942 0.059 5.140 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.232 -0.791 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.020 0.389 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.424 -0.326 8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.666 1.351 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.068 2.002 6.960 1.00 0.00 H new ATOM 924 N ARG A 66 -10.339 -2.842 5.517 1.00 0.00 N ATOM 925 CA ARG A 66 -10.840 -4.191 5.280 1.00 0.00 C ATOM 926 C ARG A 66 -9.690 -5.169 5.067 1.00 0.00 C ATOM 927 O ARG A 66 -8.649 -4.829 4.504 1.00 0.00 O ATOM 928 CB ARG A 66 -11.769 -4.206 4.064 1.00 0.00 C ATOM 929 CG ARG A 66 -11.071 -4.586 2.769 1.00 0.00 C ATOM 930 CD ARG A 66 -11.965 -4.348 1.563 1.00 0.00 C ATOM 931 NE ARG A 66 -12.777 -3.143 1.713 1.00 0.00 N ATOM 932 CZ ARG A 66 -13.955 -3.123 2.326 1.00 0.00 C ATOM 933 NH1 ARG A 66 -14.456 -4.235 2.844 1.00 0.00 N ATOM 934 NH2 ARG A 66 -14.634 -1.987 2.422 1.00 0.00 N ATOM 0 H ARG A 66 -9.624 -2.536 4.857 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.400 -4.503 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.583 -4.908 4.248 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.219 -3.220 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.155 -4.005 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.780 -5.636 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.350 -4.262 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.617 -5.209 1.420 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.420 -2.269 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.937 -5.110 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.361 -4.216 3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.251 -1.129 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.539 -1.972 2.893 1.00 0.00 H new ATOM 948 N PRO A 67 -9.879 -6.415 5.526 1.00 0.00 N ATOM 949 CA PRO A 67 -8.868 -7.469 5.397 1.00 0.00 C ATOM 950 C PRO A 67 -8.686 -7.924 3.953 1.00 0.00 C ATOM 951 O PRO A 67 -9.574 -8.548 3.372 1.00 0.00 O ATOM 952 CB PRO A 67 -9.432 -8.608 6.250 1.00 0.00 C ATOM 953 CG PRO A 67 -10.905 -8.382 6.258 1.00 0.00 C ATOM 954 CD PRO A 67 -11.095 -6.891 6.207 1.00 0.00 C ATOM 0 HA PRO A 67 -7.882 -7.129 5.714 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.183 -9.581 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.023 -8.586 7.260 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.379 -8.865 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.360 -8.803 7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.996 -6.619 5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.190 -6.464 7.205 1.00 0.00 H new ATOM 962 N VAL A 68 -7.530 -7.608 3.379 1.00 0.00 N ATOM 963 CA VAL A 68 -7.231 -7.986 2.003 1.00 0.00 C ATOM 964 C VAL A 68 -5.917 -8.754 1.917 1.00 0.00 C ATOM 965 O VAL A 68 -5.347 -8.908 0.838 1.00 0.00 O ATOM 966 CB VAL A 68 -7.152 -6.751 1.086 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.459 -5.973 1.124 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.982 -5.865 1.487 1.00 0.00 C ATOM 0 H VAL A 68 -6.785 -7.091 3.846 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.046 -8.627 1.667 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.988 -7.089 0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.384 -5.104 0.470 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.273 -6.613 0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.657 -5.644 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.941 -4.997 0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.113 -5.534 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.053 -6.429 1.403 1.00 0.00 H new ATOM 978 N GLU A 69 -5.442 -9.234 3.062 1.00 0.00 N ATOM 979 CA GLU A 69 -4.194 -9.986 3.116 1.00 0.00 C ATOM 980 C GLU A 69 -4.274 -11.236 2.244 1.00 0.00 C ATOM 981 O GLU A 69 -3.263 -11.714 1.730 1.00 0.00 O ATOM 982 CB GLU A 69 -3.870 -10.377 4.559 1.00 0.00 C ATOM 983 CG GLU A 69 -3.356 -9.222 5.402 1.00 0.00 C ATOM 984 CD GLU A 69 -4.472 -8.470 6.102 1.00 0.00 C ATOM 985 OE1 GLU A 69 -5.622 -8.533 5.621 1.00 0.00 O ATOM 986 OE2 GLU A 69 -4.194 -7.818 7.130 1.00 0.00 O ATOM 0 H GLU A 69 -5.902 -9.115 3.964 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.398 -9.347 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.766 -10.786 5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.124 -11.171 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.657 -9.603 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.801 -8.532 4.767 1.00 0.00 H new ATOM 993 N HIS A 70 -5.485 -11.761 2.083 1.00 0.00 N ATOM 994 CA HIS A 70 -5.698 -12.956 1.274 1.00 0.00 C ATOM 995 C HIS A 70 -6.477 -12.621 0.005 1.00 0.00 C ATOM 996 O HIS A 70 -7.081 -13.497 -0.613 1.00 0.00 O ATOM 997 CB HIS A 70 -6.447 -14.017 2.081 1.00 0.00 C ATOM 998 CG HIS A 70 -6.270 -15.407 1.553 1.00 0.00 C ATOM 999 ND1 HIS A 70 -7.327 -16.249 1.279 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -5.149 -16.101 1.246 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -6.864 -17.401 0.829 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -5.545 -17.337 0.799 1.00 0.00 N ATOM 0 H HIS A 70 -6.333 -11.378 2.502 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.723 -13.350 0.988 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.105 -13.984 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.509 -13.773 2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.132 -15.748 1.336 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.462 -18.251 0.535 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.922 -18.085 0.493 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.457 -11.349 -0.376 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.162 -10.898 -1.571 1.00 0.00 C ATOM 1013 C TRP A 71 -6.233 -10.888 -2.780 1.00 0.00 C ATOM 1014 O TRP A 71 -5.111 -10.386 -2.709 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.744 -9.502 -1.348 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.975 -9.501 -0.493 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.260 -10.355 0.534 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -10.087 -8.604 -0.592 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.483 -10.043 1.079 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -11.009 -8.972 0.407 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -10.391 -7.524 -1.425 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -12.214 -8.299 0.591 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.588 -6.858 -1.241 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.487 -7.246 -0.239 1.00 0.00 C ATOM 0 H TRP A 71 -5.961 -10.612 0.125 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.976 -11.596 -1.768 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.987 -8.871 -0.883 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.981 -9.056 -2.314 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.619 -11.157 0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.927 -10.530 1.858 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.703 -7.215 -2.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.909 -8.598 1.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.835 -6.024 -1.881 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.413 -6.704 -0.119 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.706 -11.446 -3.889 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.919 -11.500 -5.115 1.00 0.00 C ATOM 1037 C LYS A 72 -6.101 -10.228 -5.936 1.00 0.00 C ATOM 1038 O LYS A 72 -7.017 -9.443 -5.686 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.319 -12.719 -5.949 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.390 -14.008 -5.147 1.00 0.00 C ATOM 1041 CD LYS A 72 -7.756 -14.191 -4.506 1.00 0.00 C ATOM 1042 CE LYS A 72 -8.079 -15.661 -4.292 1.00 0.00 C ATOM 1043 NZ LYS A 72 -8.223 -16.391 -5.582 1.00 0.00 N ATOM 0 H LYS A 72 -7.632 -11.868 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.868 -11.585 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.290 -12.532 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.602 -12.845 -6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.176 -14.855 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.622 -13.999 -4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.783 -13.669 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.519 -13.738 -5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.290 -16.124 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.002 -15.750 -3.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.858 -17.205 -5.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.622 -15.752 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.290 -16.726 -5.897 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.226 -10.030 -6.915 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.292 -8.853 -7.773 1.00 0.00 C ATOM 1059 C CYS A 73 -6.718 -8.610 -8.255 1.00 0.00 C ATOM 1060 O CYS A 73 -7.266 -7.521 -8.082 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.356 -9.017 -8.972 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.418 -7.646 -10.150 1.00 0.00 S ATOM 0 H CYS A 73 -4.462 -10.669 -7.134 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.974 -7.990 -7.188 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.334 -9.124 -8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.608 -9.941 -9.493 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.346 -7.656 -10.885 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.314 -9.631 -8.862 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.677 -9.528 -9.370 1.00 0.00 C ATOM 1070 C VAL A 74 -9.677 -9.358 -8.232 1.00 0.00 C ATOM 1071 O VAL A 74 -10.831 -8.995 -8.455 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.063 -10.770 -10.196 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.266 -10.820 -11.490 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.852 -12.038 -9.381 1.00 0.00 C ATOM 0 H VAL A 74 -6.875 -10.539 -9.014 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.709 -8.648 -10.012 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.120 -10.701 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.552 -11.704 -12.060 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.472 -9.926 -12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.201 -10.866 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.130 -12.906 -9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.803 -12.116 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.472 -12.002 -8.485 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.224 -9.622 -7.010 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.080 -9.498 -5.836 1.00 0.00 C ATOM 1086 C GLU A 75 -9.991 -8.094 -5.244 1.00 0.00 C ATOM 1087 O GLU A 75 -10.970 -7.569 -4.712 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.689 -10.534 -4.780 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.845 -10.966 -3.893 1.00 0.00 C ATOM 1090 CD GLU A 75 -12.102 -11.274 -4.683 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -12.065 -12.202 -5.517 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -13.122 -10.587 -4.466 1.00 0.00 O ATOM 0 H GLU A 75 -8.271 -9.923 -6.808 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.109 -9.678 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.277 -11.411 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.897 -10.122 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.552 -11.849 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.058 -10.178 -3.171 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.810 -7.492 -5.338 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.591 -6.150 -4.812 1.00 0.00 C ATOM 1101 C LEU A 76 -8.994 -5.092 -5.834 1.00 0.00 C ATOM 1102 O LEU A 76 -9.855 -4.254 -5.569 1.00 0.00 O ATOM 1103 CB LEU A 76 -7.123 -5.966 -4.423 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.805 -4.744 -3.560 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.990 -4.394 -2.674 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.563 -4.994 -2.719 1.00 0.00 C ATOM 0 H LEU A 76 -7.989 -7.913 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.213 -6.028 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.795 -6.858 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.531 -5.905 -5.336 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.608 -3.898 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.746 -3.522 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.857 -4.171 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.219 -5.237 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.352 -4.114 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.731 -5.852 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.715 -5.195 -3.373 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.367 -5.138 -7.005 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.663 -4.187 -8.069 1.00 0.00 C ATOM 1120 C ALA A 77 -10.140 -3.808 -8.071 1.00 0.00 C ATOM 1121 O ALA A 77 -10.496 -2.658 -8.329 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.262 -4.762 -9.419 1.00 0.00 C ATOM 0 H ALA A 77 -7.650 -5.824 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.083 -3.283 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.489 -4.040 -10.204 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.193 -4.975 -9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.816 -5.683 -9.601 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.997 -4.783 -7.782 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.436 -4.551 -7.751 1.00 0.00 C ATOM 1130 C HIS A 78 -12.781 -3.398 -6.813 1.00 0.00 C ATOM 1131 O HIS A 78 -13.420 -2.428 -7.218 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.169 -5.819 -7.311 1.00 0.00 C ATOM 1133 CG HIS A 78 -13.546 -6.718 -8.447 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -14.760 -7.368 -8.522 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -12.862 -7.073 -9.560 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -14.806 -8.085 -9.630 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -13.666 -7.923 -10.279 1.00 0.00 N ATOM 0 H HIS A 78 -10.719 -5.740 -7.566 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.758 -4.285 -8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.537 -6.371 -6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -14.071 -5.537 -6.767 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -11.869 -6.748 -9.832 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -15.634 -8.699 -9.951 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -13.423 -8.358 -11.169 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.354 -3.514 -5.560 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.620 -2.481 -4.565 1.00 0.00 C ATOM 1148 C GLU A 79 -12.053 -1.137 -5.012 1.00 0.00 C ATOM 1149 O GLU A 79 -12.784 -0.154 -5.136 1.00 0.00 O ATOM 1150 CB GLU A 79 -12.019 -2.877 -3.214 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.964 -3.686 -2.342 1.00 0.00 C ATOM 1152 CD GLU A 79 -14.084 -2.846 -1.759 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -14.472 -1.848 -2.402 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -14.572 -3.186 -0.661 1.00 0.00 O ATOM 0 H GLU A 79 -11.823 -4.311 -5.210 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.700 -2.383 -4.459 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.111 -3.455 -3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.726 -1.975 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.392 -4.497 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.400 -4.146 -1.531 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.746 -1.102 -5.251 1.00 0.00 N ATOM 1162 CA ILE A 80 -10.082 0.121 -5.684 1.00 0.00 C ATOM 1163 C ILE A 80 -10.898 0.842 -6.751 1.00 0.00 C ATOM 1164 O ILE A 80 -11.184 2.033 -6.629 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.675 -0.170 -6.239 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.807 -0.833 -5.167 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -8.025 1.114 -6.733 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.520 -1.417 -5.708 1.00 0.00 C ATOM 0 H ILE A 80 -10.127 -1.906 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.993 0.760 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.768 -0.856 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.568 -0.098 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.381 -1.624 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.031 0.892 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.636 1.550 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.942 1.821 -5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.955 -1.870 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.751 -2.176 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.926 -0.626 -6.165 1.00 0.00 H new ATOM 1180 N ARG A 81 -11.272 0.111 -7.796 1.00 0.00 N ATOM 1181 CA ARG A 81 -12.056 0.681 -8.885 1.00 0.00 C ATOM 1182 C ARG A 81 -13.466 1.028 -8.416 1.00 0.00 C ATOM 1183 O ARG A 81 -14.151 1.847 -9.029 1.00 0.00 O ATOM 1184 CB ARG A 81 -12.125 -0.298 -10.059 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.842 -0.365 -10.872 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.737 -1.673 -11.640 1.00 0.00 C ATOM 1187 NE ARG A 81 -11.326 -1.575 -12.972 1.00 0.00 N ATOM 1188 CZ ARG A 81 -12.628 -1.695 -13.210 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -13.470 -1.916 -12.211 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -13.088 -1.593 -14.451 1.00 0.00 N ATOM 0 H ARG A 81 -11.045 -0.877 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.564 1.597 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.356 -1.293 -9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.946 -0.009 -10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -10.808 0.472 -11.570 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.984 -0.262 -10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -9.689 -1.959 -11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.237 -2.463 -11.080 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.705 -1.405 -13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.119 -1.994 -11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.469 -2.008 -12.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.442 -1.423 -15.222 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.087 -1.685 -14.634 1.00 0.00 H new ATOM 1204 N SER A 82 -13.893 0.399 -7.325 1.00 0.00 N ATOM 1205 CA SER A 82 -15.222 0.638 -6.776 1.00 0.00 C ATOM 1206 C SER A 82 -15.476 2.132 -6.597 1.00 0.00 C ATOM 1207 O SER A 82 -16.576 2.622 -6.857 1.00 0.00 O ATOM 1208 CB SER A 82 -15.380 -0.082 -5.435 1.00 0.00 C ATOM 1209 OG SER A 82 -16.738 -0.404 -5.187 1.00 0.00 O ATOM 0 H SER A 82 -13.337 -0.280 -6.804 1.00 0.00 H new ATOM 0 HA SER A 82 -15.955 0.245 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.781 -0.993 -5.435 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.000 0.550 -4.632 1.00 0.00 H new ATOM 0 HG SER A 82 -16.813 -0.865 -4.325 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.451 2.850 -6.152 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.561 4.289 -5.937 1.00 0.00 C ATOM 1217 C CYS A 83 -13.673 5.054 -6.913 1.00 0.00 C ATOM 1218 O CYS A 83 -12.461 5.170 -6.728 1.00 0.00 O ATOM 1219 CB CYS A 83 -14.181 4.641 -4.498 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.524 4.428 -3.307 1.00 0.00 S ATOM 0 H CYS A 83 -13.534 2.460 -5.933 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.597 4.580 -6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.338 4.020 -4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.842 5.676 -4.466 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.105 4.748 -2.119 1.00 0.00 H new ATOM 1226 N PRO A 84 -14.287 5.588 -7.978 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.571 6.351 -9.005 1.00 0.00 C ATOM 1228 C PRO A 84 -13.080 7.699 -8.489 1.00 0.00 C ATOM 1229 O PRO A 84 -12.442 8.458 -9.218 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.624 6.548 -10.099 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.930 6.468 -9.387 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.729 5.490 -8.263 1.00 0.00 C ATOM 0 HA PRO A 84 -12.674 5.834 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.503 7.510 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.545 5.779 -10.868 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.227 7.445 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.721 6.134 -10.059 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -16.329 5.751 -7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -16.013 4.479 -8.555 1.00 0.00 H new ATOM 1240 N SER A 85 -13.382 7.991 -7.228 1.00 0.00 N ATOM 1241 CA SER A 85 -12.974 9.250 -6.616 1.00 0.00 C ATOM 1242 C SER A 85 -11.631 9.099 -5.907 1.00 0.00 C ATOM 1243 O SER A 85 -10.609 9.593 -6.382 1.00 0.00 O ATOM 1244 CB SER A 85 -14.037 9.726 -5.623 1.00 0.00 C ATOM 1245 OG SER A 85 -13.731 11.020 -5.131 1.00 0.00 O ATOM 0 H SER A 85 -13.908 7.373 -6.610 1.00 0.00 H new ATOM 0 HA SER A 85 -12.866 9.993 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.013 9.739 -6.108 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.104 9.024 -4.792 1.00 0.00 H new ATOM 0 HG SER A 85 -14.425 11.303 -4.500 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.644 8.413 -4.769 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.427 8.198 -3.994 1.00 0.00 C ATOM 1253 C GLU A 86 -10.422 6.809 -3.364 1.00 0.00 C ATOM 1254 O GLU A 86 -11.473 6.196 -3.177 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.294 9.265 -2.905 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.028 9.133 -2.075 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.209 8.225 -0.874 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -10.246 8.348 -0.190 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -8.314 7.393 -0.619 1.00 0.00 O ATOM 0 H GLU A 86 -12.482 7.997 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.577 8.274 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.313 10.251 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.159 9.208 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.226 8.744 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.716 10.121 -1.735 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.230 6.317 -3.040 1.00 0.00 N ATOM 1267 CA ILE A 87 -9.088 5.001 -2.431 1.00 0.00 C ATOM 1268 C ILE A 87 -7.937 4.980 -1.430 1.00 0.00 C ATOM 1269 O ILE A 87 -6.908 5.622 -1.639 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.849 3.912 -3.493 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.527 4.160 -4.221 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -10.005 3.874 -4.481 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.341 3.484 -3.568 1.00 0.00 C ATOM 0 H ILE A 87 -8.350 6.810 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.023 4.791 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.791 2.945 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.616 3.807 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.343 5.233 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.822 3.099 -5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.931 3.655 -3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.092 4.841 -4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.438 3.703 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.226 3.855 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.503 2.406 -3.546 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.119 4.236 -0.344 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.094 4.129 0.688 1.00 0.00 C ATOM 1287 C ILE A 88 -6.490 2.729 0.719 1.00 0.00 C ATOM 1288 O ILE A 88 -7.204 1.731 0.615 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.661 4.463 2.080 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.330 5.839 2.067 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.557 4.415 3.127 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -9.304 6.049 3.205 1.00 0.00 C ATOM 0 H ILE A 88 -8.965 3.699 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.317 4.852 0.438 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.413 3.717 2.338 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -7.560 6.609 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.856 5.969 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.973 4.653 4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.122 3.416 3.151 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.784 5.141 2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.740 7.045 3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.096 5.302 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.780 5.951 4.156 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.171 2.664 0.865 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.470 1.385 0.912 1.00 0.00 C ATOM 1306 C LEU A 89 -3.343 1.420 1.940 1.00 0.00 C ATOM 1307 O LEU A 89 -2.525 2.341 1.948 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.907 1.039 -0.467 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.914 2.040 -1.058 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.916 1.333 -1.961 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.648 3.131 -1.823 1.00 0.00 C ATOM 0 H LEU A 89 -4.566 3.481 0.953 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.184 0.617 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.418 0.067 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.741 0.932 -1.161 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.365 2.504 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.218 2.062 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.366 0.589 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.447 0.840 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.925 3.834 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.223 2.683 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.322 3.658 -1.148 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.306 0.412 2.804 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.277 0.325 3.835 1.00 0.00 C ATOM 1325 C LEU A 90 -1.215 -0.703 3.460 1.00 0.00 C ATOM 1326 O LEU A 90 -1.532 -1.790 2.977 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.906 -0.041 5.180 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.931 -0.300 6.329 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.376 1.011 6.863 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.611 -1.086 7.440 1.00 0.00 C ATOM 0 H LEU A 90 -3.976 -0.357 2.812 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.797 1.300 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.578 0.765 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.518 -0.932 5.042 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.100 -0.894 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.684 0.807 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.851 1.536 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.195 1.631 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.902 -1.261 8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.461 -0.519 7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.958 -2.042 7.049 1.00 0.00 H new ATOM 1342 N VAL A 91 0.047 -0.352 3.687 1.00 0.00 N ATOM 1343 CA VAL A 91 1.156 -1.246 3.376 1.00 0.00 C ATOM 1344 C VAL A 91 2.212 -1.213 4.475 1.00 0.00 C ATOM 1345 O VAL A 91 2.200 -0.334 5.336 1.00 0.00 O ATOM 1346 CB VAL A 91 1.816 -0.876 2.034 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.841 -1.082 0.885 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.319 0.559 2.066 1.00 0.00 C ATOM 0 H VAL A 91 0.327 0.545 4.085 1.00 0.00 H new ATOM 0 HA VAL A 91 0.742 -2.252 3.303 1.00 0.00 H new ATOM 0 HB VAL A 91 2.671 -1.533 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.325 -0.816 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.534 -2.127 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.035 -0.451 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.782 0.804 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.482 1.234 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.053 0.669 2.864 1.00 0.00 H new ATOM 1358 N TRP A 92 3.126 -2.177 4.439 1.00 0.00 N ATOM 1359 CA TRP A 92 4.190 -2.258 5.432 1.00 0.00 C ATOM 1360 C TRP A 92 5.530 -1.853 4.828 1.00 0.00 C ATOM 1361 O TRP A 92 5.889 -2.296 3.737 1.00 0.00 O ATOM 1362 CB TRP A 92 4.280 -3.677 5.998 1.00 0.00 C ATOM 1363 CG TRP A 92 5.445 -3.875 6.921 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.704 -4.274 6.577 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.456 -3.685 8.340 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.498 -4.344 7.696 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.756 -3.987 8.791 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.495 -3.288 9.274 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.116 -3.904 10.133 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.854 -3.207 10.606 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.155 -3.513 11.025 1.00 0.00 C ATOM 0 H TRP A 92 3.151 -2.913 3.733 1.00 0.00 H new ATOM 0 HA TRP A 92 3.953 -1.566 6.240 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.358 -3.906 6.533 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.354 -4.386 5.173 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.029 -4.501 5.572 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.481 -4.617 7.709 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.490 -3.049 8.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.118 -4.140 10.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.119 -2.903 11.336 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.405 -3.439 12.073 1.00 0.00 H new ATOM 1382 N ARG A 93 6.267 -1.010 5.545 1.00 0.00 N ATOM 1383 CA ARG A 93 7.567 -0.545 5.078 1.00 0.00 C ATOM 1384 C ARG A 93 8.637 -0.761 6.144 1.00 0.00 C ATOM 1385 O ARG A 93 8.394 -0.552 7.333 1.00 0.00 O ATOM 1386 CB ARG A 93 7.498 0.937 4.703 1.00 0.00 C ATOM 1387 CG ARG A 93 8.465 1.331 3.599 1.00 0.00 C ATOM 1388 CD ARG A 93 8.065 2.648 2.952 1.00 0.00 C ATOM 1389 NE ARG A 93 6.754 2.568 2.313 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.031 3.633 1.984 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.489 4.852 2.232 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.847 3.479 1.406 1.00 0.00 N ATOM 0 H ARG A 93 5.986 -0.636 6.451 1.00 0.00 H new ATOM 0 HA ARG A 93 7.836 -1.124 4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.482 1.176 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.707 1.537 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.471 1.417 4.009 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.494 0.547 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.053 3.434 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.813 2.930 2.211 1.00 0.00 H new ATOM 0 HE ARG A 93 6.373 1.644 2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.399 4.974 2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.932 5.668 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.491 2.543 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.292 4.297 1.154 1.00 0.00 H new ATOM 1406 N VAL A 94 9.821 -1.180 5.711 1.00 0.00 N ATOM 1407 CA VAL A 94 10.928 -1.424 6.627 1.00 0.00 C ATOM 1408 C VAL A 94 12.135 -0.562 6.274 1.00 0.00 C ATOM 1409 O VAL A 94 12.587 -0.549 5.129 1.00 0.00 O ATOM 1410 CB VAL A 94 11.349 -2.906 6.617 1.00 0.00 C ATOM 1411 CG1 VAL A 94 11.887 -3.299 5.249 1.00 0.00 C ATOM 1412 CG2 VAL A 94 12.382 -3.173 7.702 1.00 0.00 C ATOM 0 H VAL A 94 10.038 -1.358 4.730 1.00 0.00 H new ATOM 0 HA VAL A 94 10.576 -1.160 7.624 1.00 0.00 H new ATOM 0 HB VAL A 94 10.471 -3.517 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 94 12.179 -4.349 5.261 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.114 -3.146 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.754 -2.684 5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.668 -4.225 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.262 -2.554 7.527 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.957 -2.932 8.676 1.00 0.00 H new