USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 804 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 66 ASN : amide:sc= -1.54 K(o=-2.2,f=-3.8!) USER MOD Set 1.2: A 70 TYR OH : rot -2:sc= -0.62 USER MOD Set 2.1: A 54 THR OG1 : rot 12:sc= -0.0905 USER MOD Set 2.2: A 57 SER OG : rot -55:sc= 0.834 USER MOD Single : A 17 THR OG1 : rot 17:sc= 0.849 USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0609) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.399 K(o=-0.4,f=-3.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -7.37! C(o=-7.4!,f=-15!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 150:sc= -1.09 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 42 HIS : no HD1:sc= 0.526 K(o=0.53,f=-4.3!) USER MOD Single : A 43 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.2!) USER MOD Single : A 46 THR OG1 : rot -28:sc= 0.374 USER MOD Single : A 48 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3!) USER MOD Single : A 50 GLN : amide:sc=-0.00698 X(o=-0.007,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.0012) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.1!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -9:sc= 0.151 USER MOD Single : A 71 SER OG : rot -16:sc= 1.14 USER MOD Single : A 72 MET CE :methyl -129:sc= -8.04! (180deg=-12.8!) USER MOD Single : A 75 ASN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 76 ASN : amide:sc= -3.57! C(o=-3.6!,f=-3.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 120:sc= -1.39 USER MOD Single : A 86 SER OG : rot 100:sc= 1.09 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00592 USER MOD Single : A 88 LYS NZ :NH3+ -123:sc= -0.393 (180deg=-1.33) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -4:sc= 0.471! USER MOD Single : A 99 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 101 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.702) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.16) USER MOD Single : A 105 ASN : amide:sc= -0.0277 K(o=-0.028,f=-2!) USER MOD Single : A 106 THR OG1 : rot 68:sc= 0.113 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.082 -6.393 9.798 1.00 0.00 N ATOM 198 CA THR A 17 -7.836 -5.577 8.621 1.00 0.00 C ATOM 199 C THR A 17 -7.733 -6.458 7.374 1.00 0.00 C ATOM 200 O THR A 17 -7.263 -7.592 7.447 1.00 0.00 O ATOM 201 CB THR A 17 -6.581 -4.741 8.880 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.462 -4.723 10.300 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.771 -3.270 8.504 1.00 0.00 C ATOM 0 HA THR A 17 -8.665 -4.895 8.431 1.00 0.00 H new ATOM 0 HB THR A 17 -5.746 -5.156 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.020 -5.432 10.684 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.852 -2.721 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.013 -3.194 7.444 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.584 -2.846 9.093 1.00 0.00 H new ATOM 211 N VAL A 18 -8.180 -5.902 6.258 1.00 0.00 N ATOM 212 CA VAL A 18 -8.144 -6.622 4.996 1.00 0.00 C ATOM 213 C VAL A 18 -6.714 -6.619 4.453 1.00 0.00 C ATOM 214 O VAL A 18 -5.926 -5.731 4.774 1.00 0.00 O ATOM 215 CB VAL A 18 -9.156 -6.018 4.020 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.912 -6.522 2.596 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.590 -6.309 4.466 1.00 0.00 C ATOM 0 H VAL A 18 -8.569 -4.961 6.201 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.434 -7.663 5.141 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.018 -4.937 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.645 -6.078 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.908 -6.240 2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.009 -7.607 2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.289 -5.869 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.746 -7.387 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.758 -5.879 5.453 1.00 0.00 H new ATOM 227 N LYS A 19 -6.422 -7.624 3.640 1.00 0.00 N ATOM 228 CA LYS A 19 -5.100 -7.748 3.049 1.00 0.00 C ATOM 229 C LYS A 19 -5.170 -7.371 1.568 1.00 0.00 C ATOM 230 O LYS A 19 -5.882 -8.009 0.794 1.00 0.00 O ATOM 231 CB LYS A 19 -4.530 -9.146 3.301 1.00 0.00 C ATOM 232 CG LYS A 19 -3.648 -9.596 2.136 1.00 0.00 C ATOM 233 CD LYS A 19 -2.930 -10.907 2.465 1.00 0.00 C ATOM 234 CE LYS A 19 -2.229 -11.474 1.230 1.00 0.00 C ATOM 235 NZ LYS A 19 -1.134 -10.578 0.798 1.00 0.00 N ATOM 0 H LYS A 19 -7.078 -8.360 3.377 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.405 -7.054 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.948 -9.145 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.346 -9.856 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.258 -9.726 1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.914 -8.822 1.911 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.200 -10.737 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.648 -11.633 2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.830 -12.464 1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.948 -11.595 0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.605 -11.026 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.533 -9.676 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.493 -10.402 1.598 1.00 0.00 H new ATOM 249 N ILE A 20 -4.422 -6.334 1.219 1.00 0.00 N ATOM 250 CA ILE A 20 -4.391 -5.864 -0.156 1.00 0.00 C ATOM 251 C ILE A 20 -3.528 -6.809 -0.994 1.00 0.00 C ATOM 252 O ILE A 20 -2.306 -6.828 -0.853 1.00 0.00 O ATOM 253 CB ILE A 20 -3.937 -4.404 -0.212 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.737 -3.543 0.768 1.00 0.00 C ATOM 255 CG2 ILE A 20 -4.009 -3.863 -1.641 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.271 -2.086 0.724 1.00 0.00 C ATOM 0 H ILE A 20 -3.833 -5.807 1.864 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.392 -5.880 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.893 -4.358 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.798 -3.597 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.623 -3.935 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.681 -2.824 -1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.362 -4.456 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.036 -3.924 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.856 -1.496 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.216 -2.033 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.409 -1.690 -0.282 1.00 0.00 H new ATOM 268 N SER A 21 -4.197 -7.570 -1.847 1.00 0.00 N ATOM 269 CA SER A 21 -3.506 -8.515 -2.708 1.00 0.00 C ATOM 270 C SER A 21 -3.143 -7.846 -4.035 1.00 0.00 C ATOM 271 O SER A 21 -1.965 -7.722 -4.370 1.00 0.00 O ATOM 272 CB SER A 21 -4.361 -9.759 -2.959 1.00 0.00 C ATOM 273 OG SER A 21 -4.636 -10.469 -1.754 1.00 0.00 O ATOM 0 H SER A 21 -5.210 -7.552 -1.961 1.00 0.00 H new ATOM 0 HA SER A 21 -2.592 -8.830 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.300 -9.465 -3.429 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.846 -10.418 -3.659 1.00 0.00 H new ATOM 0 HG SER A 21 -5.185 -11.255 -1.956 1.00 0.00 H new ATOM 279 N ASN A 22 -4.175 -7.430 -4.754 1.00 0.00 N ATOM 280 CA ASN A 22 -3.979 -6.777 -6.037 1.00 0.00 C ATOM 281 C ASN A 22 -3.677 -5.294 -5.808 1.00 0.00 C ATOM 282 O ASN A 22 -4.491 -4.572 -5.234 1.00 0.00 O ATOM 283 CB ASN A 22 -5.236 -6.874 -6.903 1.00 0.00 C ATOM 284 CG ASN A 22 -4.910 -7.460 -8.279 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.820 -7.946 -8.532 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.913 -7.386 -9.149 1.00 0.00 N ATOM 0 H ASN A 22 -5.150 -7.533 -4.472 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.152 -7.273 -6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.978 -7.498 -6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.678 -5.885 -7.021 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.796 -7.749 -10.095 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.800 -6.966 -8.870 1.00 0.00 H new ATOM 293 N TYR A 23 -2.504 -4.884 -6.268 1.00 0.00 N ATOM 294 CA TYR A 23 -2.084 -3.501 -6.120 1.00 0.00 C ATOM 295 C TYR A 23 -1.175 -3.077 -7.275 1.00 0.00 C ATOM 296 O TYR A 23 -0.191 -3.752 -7.575 1.00 0.00 O ATOM 297 CB TYR A 23 -1.291 -3.438 -4.813 1.00 0.00 C ATOM 298 CG TYR A 23 -0.120 -4.421 -4.748 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.066 -4.125 -5.390 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.250 -5.603 -4.048 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.168 -5.050 -5.328 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.853 -6.528 -3.987 1.00 0.00 C ATOM 303 CZ TYR A 23 2.007 -6.206 -4.630 1.00 0.00 C ATOM 304 OH TYR A 23 3.047 -7.079 -4.572 1.00 0.00 O ATOM 0 H TYR A 23 -1.831 -5.485 -6.743 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.948 -2.836 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.910 -2.426 -4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.966 -3.637 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.167 -3.200 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.178 -5.835 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.102 -4.831 -5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.765 -7.457 -3.443 1.00 0.00 H new ATOM 0 HH TYR A 23 2.789 -7.860 -4.039 1.00 0.00 H new ATOM 314 N GLY A 24 -1.537 -1.963 -7.893 1.00 0.00 N ATOM 315 CA GLY A 24 -0.766 -1.441 -9.009 1.00 0.00 C ATOM 316 C GLY A 24 0.488 -0.716 -8.518 1.00 0.00 C ATOM 317 O GLY A 24 0.447 -0.008 -7.512 1.00 0.00 O ATOM 0 H GLY A 24 -2.354 -1.407 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.482 -2.258 -9.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.382 -0.756 -9.592 1.00 0.00 H new ATOM 321 N TRP A 25 1.574 -0.917 -9.249 1.00 0.00 N ATOM 322 CA TRP A 25 2.838 -0.291 -8.901 1.00 0.00 C ATOM 323 C TRP A 25 3.564 0.065 -10.200 1.00 0.00 C ATOM 324 O TRP A 25 3.420 -0.628 -11.206 1.00 0.00 O ATOM 325 CB TRP A 25 3.664 -1.196 -7.984 1.00 0.00 C ATOM 326 CG TRP A 25 4.261 -2.416 -8.688 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.689 -3.610 -8.896 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.577 -2.514 -9.271 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.537 -4.467 -9.568 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.721 -3.779 -9.803 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.611 -1.565 -9.347 1.00 0.00 C ATOM 332 CZ2 TRP A 25 6.886 -4.211 -10.449 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.769 -2.012 -9.995 1.00 0.00 C ATOM 334 CH2 TRP A 25 7.930 -3.282 -10.536 1.00 0.00 C ATOM 0 H TRP A 25 1.605 -1.505 -10.082 1.00 0.00 H new ATOM 0 HA TRP A 25 2.671 0.625 -8.334 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.472 -0.611 -7.545 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.034 -1.536 -7.162 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.690 -3.869 -8.578 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.332 -5.428 -9.842 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.520 -0.570 -8.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.974 -5.207 -10.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.595 -1.321 -10.080 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.856 -3.551 -11.021 1.00 0.00 H new ATOM 345 N ASP A 26 4.327 1.146 -10.136 1.00 0.00 N ATOM 346 CA ASP A 26 5.075 1.603 -11.295 1.00 0.00 C ATOM 347 C ASP A 26 6.410 2.193 -10.835 1.00 0.00 C ATOM 348 O ASP A 26 6.492 2.788 -9.761 1.00 0.00 O ATOM 349 CB ASP A 26 4.311 2.693 -12.049 1.00 0.00 C ATOM 350 CG ASP A 26 2.812 2.436 -12.215 1.00 0.00 C ATOM 351 OD1 ASP A 26 2.191 2.034 -11.208 1.00 0.00 O ATOM 352 OD2 ASP A 26 2.322 2.646 -13.346 1.00 0.00 O ATOM 0 H ASP A 26 4.443 1.719 -9.300 1.00 0.00 H new ATOM 0 HA ASP A 26 5.230 0.749 -11.955 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.446 3.639 -11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.756 2.810 -13.037 1.00 0.00 H new ATOM 357 N GLN A 27 7.421 2.009 -11.671 1.00 0.00 N ATOM 358 CA GLN A 27 8.748 2.516 -11.363 1.00 0.00 C ATOM 359 C GLN A 27 9.290 3.333 -12.538 1.00 0.00 C ATOM 360 O GLN A 27 9.032 3.007 -13.696 1.00 0.00 O ATOM 361 CB GLN A 27 9.701 1.374 -11.003 1.00 0.00 C ATOM 362 CG GLN A 27 10.007 0.509 -12.228 1.00 0.00 C ATOM 363 CD GLN A 27 8.955 -0.589 -12.400 1.00 0.00 C ATOM 364 OE1 GLN A 27 7.806 -0.449 -12.015 1.00 0.00 O ATOM 365 NE2 GLN A 27 9.411 -1.685 -12.999 1.00 0.00 N ATOM 0 H GLN A 27 7.348 1.516 -12.561 1.00 0.00 H new ATOM 0 HA GLN A 27 8.673 3.171 -10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.628 1.782 -10.601 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.258 0.759 -10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.035 1.134 -13.121 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.994 0.059 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.385 -1.736 -13.296 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.786 -2.475 -13.161 1.00 0.00 H new ATOM 374 N SER A 28 10.030 4.378 -12.199 1.00 0.00 N ATOM 375 CA SER A 28 10.610 5.244 -13.211 1.00 0.00 C ATOM 376 C SER A 28 12.026 5.653 -12.801 1.00 0.00 C ATOM 377 O SER A 28 12.339 5.713 -11.612 1.00 0.00 O ATOM 378 CB SER A 28 9.743 6.485 -13.436 1.00 0.00 C ATOM 379 OG SER A 28 8.385 6.146 -13.703 1.00 0.00 O ATOM 0 H SER A 28 10.241 4.645 -11.237 1.00 0.00 H new ATOM 0 HA SER A 28 10.656 4.691 -14.149 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.790 7.125 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.144 7.061 -14.270 1.00 0.00 H new ATOM 0 HG SER A 28 7.864 6.965 -13.839 1.00 0.00 H new ATOM 385 N ASP A 29 12.844 5.924 -13.807 1.00 0.00 N ATOM 386 CA ASP A 29 14.220 6.325 -13.566 1.00 0.00 C ATOM 387 C ASP A 29 14.233 7.662 -12.821 1.00 0.00 C ATOM 388 O ASP A 29 14.471 8.709 -13.421 1.00 0.00 O ATOM 389 CB ASP A 29 14.978 6.509 -14.881 1.00 0.00 C ATOM 390 CG ASP A 29 15.154 5.236 -15.711 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.472 4.242 -15.376 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.964 5.284 -16.661 1.00 0.00 O ATOM 0 H ASP A 29 12.581 5.874 -14.791 1.00 0.00 H new ATOM 0 HA ASP A 29 14.702 5.543 -12.979 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.452 7.249 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.963 6.920 -14.660 1.00 0.00 H new ATOM 397 N LYS A 30 13.974 7.583 -11.524 1.00 0.00 N ATOM 398 CA LYS A 30 13.954 8.773 -10.691 1.00 0.00 C ATOM 399 C LYS A 30 13.420 8.411 -9.304 1.00 0.00 C ATOM 400 O LYS A 30 14.082 8.656 -8.297 1.00 0.00 O ATOM 401 CB LYS A 30 13.170 9.894 -11.378 1.00 0.00 C ATOM 402 CG LYS A 30 14.099 11.035 -11.797 1.00 0.00 C ATOM 403 CD LYS A 30 13.402 11.977 -12.781 1.00 0.00 C ATOM 404 CE LYS A 30 14.196 12.095 -14.083 1.00 0.00 C ATOM 405 NZ LYS A 30 15.066 13.292 -14.052 1.00 0.00 N ATOM 0 H LYS A 30 13.776 6.713 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 30 14.964 9.159 -10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.655 9.499 -12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.404 10.274 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.415 11.593 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.999 10.626 -12.255 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.399 11.608 -12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.289 12.962 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.802 11.201 -14.229 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.512 12.157 -14.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.598 13.358 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.481 14.144 -13.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.731 13.217 -13.256 1.00 0.00 H new ATOM 419 N PHE A 31 12.228 7.832 -9.296 1.00 0.00 N ATOM 420 CA PHE A 31 11.599 7.433 -8.049 1.00 0.00 C ATOM 421 C PHE A 31 10.589 6.306 -8.280 1.00 0.00 C ATOM 422 O PHE A 31 10.212 6.030 -9.417 1.00 0.00 O ATOM 423 CB PHE A 31 10.861 8.659 -7.508 1.00 0.00 C ATOM 424 CG PHE A 31 11.732 9.912 -7.399 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.723 9.973 -6.469 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.516 10.965 -8.232 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.532 11.135 -6.369 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.325 12.128 -8.131 1.00 0.00 C ATOM 429 CZ PHE A 31 13.316 12.188 -7.202 1.00 0.00 C ATOM 0 H PHE A 31 11.682 7.630 -10.133 1.00 0.00 H new ATOM 0 HA PHE A 31 12.354 7.071 -7.351 1.00 0.00 H new ATOM 0 HB2 PHE A 31 10.012 8.875 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.458 8.422 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.894 9.137 -5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.729 10.917 -8.970 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.319 11.183 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.153 12.965 -8.792 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.932 13.072 -7.126 1.00 0.00 H new ATOM 439 N VAL A 32 10.182 5.686 -7.182 1.00 0.00 N ATOM 440 CA VAL A 32 9.224 4.596 -7.251 1.00 0.00 C ATOM 441 C VAL A 32 7.915 5.030 -6.588 1.00 0.00 C ATOM 442 O VAL A 32 7.930 5.728 -5.576 1.00 0.00 O ATOM 443 CB VAL A 32 9.821 3.334 -6.625 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.747 2.266 -6.412 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.972 2.792 -7.475 1.00 0.00 C ATOM 0 H VAL A 32 10.498 5.918 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 32 8.998 4.352 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 32 10.223 3.603 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.199 1.380 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.975 2.654 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.301 2.002 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.378 1.895 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.604 2.547 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.754 3.547 -7.552 1.00 0.00 H new ATOM 455 N LYS A 33 6.814 4.598 -7.186 1.00 0.00 N ATOM 456 CA LYS A 33 5.500 4.933 -6.666 1.00 0.00 C ATOM 457 C LYS A 33 4.546 3.762 -6.909 1.00 0.00 C ATOM 458 O LYS A 33 4.701 3.021 -7.879 1.00 0.00 O ATOM 459 CB LYS A 33 5.011 6.257 -7.258 1.00 0.00 C ATOM 460 CG LYS A 33 3.520 6.463 -6.984 1.00 0.00 C ATOM 461 CD LYS A 33 3.143 7.943 -7.083 1.00 0.00 C ATOM 462 CE LYS A 33 3.727 8.574 -8.348 1.00 0.00 C ATOM 463 NZ LYS A 33 2.957 9.779 -8.729 1.00 0.00 N ATOM 0 H LYS A 33 6.806 4.019 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 33 5.546 5.089 -5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.580 7.083 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.192 6.268 -8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.932 5.886 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.274 6.087 -5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.058 8.046 -7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.509 8.475 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.771 8.840 -8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.709 7.851 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.367 10.195 -9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.967 9.516 -8.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.995 10.474 -7.956 1.00 0.00 H new ATOM 477 N ILE A 34 3.580 3.631 -6.012 1.00 0.00 N ATOM 478 CA ILE A 34 2.601 2.562 -6.117 1.00 0.00 C ATOM 479 C ILE A 34 1.195 3.164 -6.134 1.00 0.00 C ATOM 480 O ILE A 34 0.953 4.204 -5.523 1.00 0.00 O ATOM 481 CB ILE A 34 2.814 1.530 -5.008 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.177 0.848 -5.148 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.668 0.517 -4.974 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.153 1.349 -4.082 1.00 0.00 C ATOM 0 H ILE A 34 3.454 4.247 -5.209 1.00 0.00 H new ATOM 0 HA ILE A 34 2.728 2.020 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 34 2.811 2.052 -4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.058 -0.232 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.585 1.043 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.844 -0.205 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.728 1.037 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.614 -0.004 -5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.114 0.848 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.288 2.425 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.754 1.131 -3.092 1.00 0.00 H new ATOM 496 N TYR A 35 0.303 2.485 -6.842 1.00 0.00 N ATOM 497 CA TYR A 35 -1.072 2.941 -6.947 1.00 0.00 C ATOM 498 C TYR A 35 -2.051 1.787 -6.713 1.00 0.00 C ATOM 499 O TYR A 35 -2.213 0.923 -7.573 1.00 0.00 O ATOM 500 CB TYR A 35 -1.239 3.453 -8.379 1.00 0.00 C ATOM 501 CG TYR A 35 -0.002 4.162 -8.934 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.143 3.440 -9.206 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.030 5.522 -9.162 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.307 4.106 -9.728 1.00 0.00 C ATOM 505 CE2 TYR A 35 1.134 6.189 -9.685 1.00 0.00 C ATOM 506 CZ TYR A 35 2.246 5.448 -9.942 1.00 0.00 C ATOM 507 OH TYR A 35 3.345 6.078 -10.436 1.00 0.00 O ATOM 0 H TYR A 35 0.506 1.623 -7.348 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.280 3.709 -6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.485 2.613 -9.028 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.085 4.140 -8.412 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.165 2.375 -9.027 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.925 6.087 -8.948 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.209 3.553 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.125 7.253 -9.869 1.00 0.00 H new ATOM 0 HH TYR A 35 3.066 6.850 -10.971 1.00 0.00 H new ATOM 517 N ILE A 36 -2.677 1.812 -5.546 1.00 0.00 N ATOM 518 CA ILE A 36 -3.635 0.779 -5.189 1.00 0.00 C ATOM 519 C ILE A 36 -5.053 1.335 -5.329 1.00 0.00 C ATOM 520 O ILE A 36 -5.283 2.522 -5.105 1.00 0.00 O ATOM 521 CB ILE A 36 -3.327 0.221 -3.798 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.951 -0.447 -3.767 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.435 -0.725 -3.329 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.966 0.365 -2.924 1.00 0.00 C ATOM 0 H ILE A 36 -2.540 2.531 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.556 -0.067 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.296 1.054 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.041 -1.454 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.569 -0.548 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.191 -1.108 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.381 -0.185 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.523 -1.557 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.004 -0.132 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.860 1.363 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.339 0.443 -1.903 1.00 0.00 H new ATOM 536 N THR A 37 -5.967 0.450 -5.699 1.00 0.00 N ATOM 537 CA THR A 37 -7.357 0.837 -5.871 1.00 0.00 C ATOM 538 C THR A 37 -8.143 0.592 -4.582 1.00 0.00 C ATOM 539 O THR A 37 -8.464 -0.550 -4.253 1.00 0.00 O ATOM 540 CB THR A 37 -7.914 0.077 -7.076 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.328 0.729 -8.200 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.417 0.293 -7.262 1.00 0.00 C ATOM 0 H THR A 37 -5.772 -0.534 -5.884 1.00 0.00 H new ATOM 0 HA THR A 37 -7.448 1.905 -6.071 1.00 0.00 H new ATOM 0 HB THR A 37 -7.713 -0.988 -6.957 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.635 0.298 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.761 -0.269 -8.131 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.947 -0.052 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.616 1.354 -7.414 1.00 0.00 H new ATOM 550 N LEU A 38 -8.431 1.682 -3.886 1.00 0.00 N ATOM 551 CA LEU A 38 -9.174 1.599 -2.639 1.00 0.00 C ATOM 552 C LEU A 38 -10.223 2.712 -2.601 1.00 0.00 C ATOM 553 O LEU A 38 -9.898 3.868 -2.337 1.00 0.00 O ATOM 554 CB LEU A 38 -8.218 1.614 -1.444 1.00 0.00 C ATOM 555 CG LEU A 38 -8.454 0.538 -0.383 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.949 0.277 -0.190 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.688 -0.742 -0.720 1.00 0.00 C ATOM 0 H LEU A 38 -8.164 2.627 -4.161 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.710 0.652 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.199 1.510 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.284 2.590 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.066 0.905 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.089 -0.492 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.441 1.196 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.384 -0.059 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.873 -1.490 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.023 -1.123 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.621 -0.526 -0.766 1.00 0.00 H new ATOM 569 N THR A 39 -11.461 2.323 -2.870 1.00 0.00 N ATOM 570 CA THR A 39 -12.561 3.273 -2.870 1.00 0.00 C ATOM 571 C THR A 39 -12.989 3.592 -1.436 1.00 0.00 C ATOM 572 O THR A 39 -13.589 2.755 -0.763 1.00 0.00 O ATOM 573 CB THR A 39 -13.688 2.691 -3.726 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.453 3.232 -5.023 1.00 0.00 O ATOM 575 CG2 THR A 39 -15.062 3.240 -3.336 1.00 0.00 C ATOM 0 H THR A 39 -11.727 1.363 -3.089 1.00 0.00 H new ATOM 0 HA THR A 39 -12.262 4.226 -3.306 1.00 0.00 H new ATOM 0 HB THR A 39 -13.691 1.605 -3.633 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.138 2.905 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.826 2.795 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.270 2.994 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.070 4.323 -3.461 1.00 0.00 H new ATOM 583 N GLY A 40 -12.665 4.804 -1.012 1.00 0.00 N ATOM 584 CA GLY A 40 -13.009 5.245 0.329 1.00 0.00 C ATOM 585 C GLY A 40 -11.768 5.726 1.084 1.00 0.00 C ATOM 586 O GLY A 40 -11.871 6.540 2.000 1.00 0.00 O ATOM 0 H GLY A 40 -12.168 5.495 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.741 6.051 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.477 4.427 0.876 1.00 0.00 H new ATOM 590 N VAL A 41 -10.623 5.201 0.671 1.00 0.00 N ATOM 591 CA VAL A 41 -9.364 5.567 1.296 1.00 0.00 C ATOM 592 C VAL A 41 -9.178 7.083 1.211 1.00 0.00 C ATOM 593 O VAL A 41 -8.405 7.661 1.974 1.00 0.00 O ATOM 594 CB VAL A 41 -8.215 4.787 0.653 1.00 0.00 C ATOM 595 CG1 VAL A 41 -7.985 5.240 -0.790 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.934 4.917 1.480 1.00 0.00 C ATOM 0 H VAL A 41 -10.542 4.525 -0.089 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.371 5.300 2.353 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.495 3.734 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.163 4.670 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.891 5.072 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.737 6.301 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.133 4.354 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.649 5.967 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.106 4.523 2.482 1.00 0.00 H new ATOM 606 N HIS A 42 -9.901 7.684 0.278 1.00 0.00 N ATOM 607 CA HIS A 42 -9.826 9.122 0.083 1.00 0.00 C ATOM 608 C HIS A 42 -10.865 9.814 0.967 1.00 0.00 C ATOM 609 O HIS A 42 -10.998 11.037 0.935 1.00 0.00 O ATOM 610 CB HIS A 42 -9.974 9.479 -1.397 1.00 0.00 C ATOM 611 CG HIS A 42 -11.378 9.321 -1.929 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.943 8.087 -2.198 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.324 10.254 -2.239 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.174 8.280 -2.649 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.408 9.623 -2.674 1.00 0.00 N ATOM 0 H HIS A 42 -10.542 7.201 -0.352 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.843 9.483 0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.654 10.510 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.302 8.850 -1.981 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.210 11.324 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.870 7.509 -2.945 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.274 10.069 -2.977 1.00 0.00 H new ATOM 623 N GLN A 43 -11.576 9.003 1.736 1.00 0.00 N ATOM 624 CA GLN A 43 -12.600 9.522 2.627 1.00 0.00 C ATOM 625 C GLN A 43 -12.144 9.409 4.083 1.00 0.00 C ATOM 626 O GLN A 43 -12.670 10.096 4.957 1.00 0.00 O ATOM 627 CB GLN A 43 -13.931 8.799 2.412 1.00 0.00 C ATOM 628 CG GLN A 43 -14.498 9.094 1.022 1.00 0.00 C ATOM 629 CD GLN A 43 -16.023 8.979 1.015 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.682 9.056 2.040 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.547 8.790 -0.193 1.00 0.00 N ATOM 0 H GLN A 43 -11.463 7.990 1.761 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.755 10.576 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.788 7.725 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.645 9.111 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.204 10.097 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.074 8.398 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.939 8.735 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.557 8.700 -0.302 1.00 0.00 H new ATOM 640 N VAL A 44 -11.169 8.538 4.298 1.00 0.00 N ATOM 641 CA VAL A 44 -10.635 8.327 5.633 1.00 0.00 C ATOM 642 C VAL A 44 -9.539 9.358 5.908 1.00 0.00 C ATOM 643 O VAL A 44 -8.881 9.831 4.984 1.00 0.00 O ATOM 644 CB VAL A 44 -10.149 6.883 5.780 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.281 5.892 5.500 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.948 6.614 4.872 1.00 0.00 C ATOM 0 H VAL A 44 -10.735 7.970 3.570 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.413 8.472 6.383 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.827 6.741 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.909 4.874 5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.095 6.060 6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.647 6.035 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.622 5.581 4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.232 6.783 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.132 7.286 5.139 1.00 0.00 H new ATOM 656 N PRO A 45 -9.372 9.683 7.218 1.00 0.00 N ATOM 657 CA PRO A 45 -8.367 10.650 7.627 1.00 0.00 C ATOM 658 C PRO A 45 -6.965 10.041 7.564 1.00 0.00 C ATOM 659 O PRO A 45 -6.815 8.835 7.375 1.00 0.00 O ATOM 660 CB PRO A 45 -8.771 11.067 9.032 1.00 0.00 C ATOM 661 CG PRO A 45 -9.712 9.984 9.534 1.00 0.00 C ATOM 662 CD PRO A 45 -10.134 9.143 8.341 1.00 0.00 C ATOM 0 HA PRO A 45 -8.322 11.516 6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.898 11.157 9.679 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.263 12.039 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.217 9.364 10.282 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.583 10.428 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.910 8.088 8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.207 9.217 8.164 1.00 0.00 H new ATOM 670 N THR A 46 -5.972 10.905 7.726 1.00 0.00 N ATOM 671 CA THR A 46 -4.587 10.468 7.690 1.00 0.00 C ATOM 672 C THR A 46 -4.229 9.722 8.977 1.00 0.00 C ATOM 673 O THR A 46 -3.119 9.211 9.115 1.00 0.00 O ATOM 674 CB THR A 46 -3.711 11.695 7.435 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.421 11.152 7.166 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.504 12.539 8.695 1.00 0.00 C ATOM 0 H THR A 46 -6.100 11.905 7.882 1.00 0.00 H new ATOM 0 HA THR A 46 -4.418 9.756 6.882 1.00 0.00 H new ATOM 0 HB THR A 46 -4.165 12.309 6.657 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.325 10.293 7.628 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.875 13.397 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.469 12.887 9.063 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.020 11.935 9.462 1.00 0.00 H new ATOM 684 N GLU A 47 -5.191 9.684 9.888 1.00 0.00 N ATOM 685 CA GLU A 47 -4.991 9.010 11.160 1.00 0.00 C ATOM 686 C GLU A 47 -5.260 7.511 11.013 1.00 0.00 C ATOM 687 O GLU A 47 -4.741 6.705 11.784 1.00 0.00 O ATOM 688 CB GLU A 47 -5.874 9.622 12.249 1.00 0.00 C ATOM 689 CG GLU A 47 -7.351 9.320 11.992 1.00 0.00 C ATOM 690 CD GLU A 47 -8.103 9.098 13.306 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.640 8.238 14.087 1.00 0.00 O ATOM 692 OE2 GLU A 47 -9.123 9.793 13.501 1.00 0.00 O ATOM 0 H GLU A 47 -6.111 10.109 9.770 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.953 9.145 11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.583 9.228 13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.720 10.701 12.283 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.805 10.146 11.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.441 8.434 11.364 1.00 0.00 H new ATOM 699 N ASN A 48 -6.072 7.182 10.019 1.00 0.00 N ATOM 700 CA ASN A 48 -6.416 5.794 9.762 1.00 0.00 C ATOM 701 C ASN A 48 -5.398 5.191 8.792 1.00 0.00 C ATOM 702 O ASN A 48 -5.190 3.979 8.779 1.00 0.00 O ATOM 703 CB ASN A 48 -7.802 5.679 9.124 1.00 0.00 C ATOM 704 CG ASN A 48 -8.901 5.728 10.188 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.672 5.507 11.365 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.105 6.029 9.708 1.00 0.00 N ATOM 0 H ASN A 48 -6.502 7.853 9.382 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.412 5.264 10.715 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.946 6.490 8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.873 4.746 8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.905 6.086 10.338 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.227 6.203 8.710 1.00 0.00 H new ATOM 713 N VAL A 49 -4.790 6.066 8.004 1.00 0.00 N ATOM 714 CA VAL A 49 -3.799 5.635 7.033 1.00 0.00 C ATOM 715 C VAL A 49 -2.400 5.795 7.633 1.00 0.00 C ATOM 716 O VAL A 49 -1.885 6.908 7.727 1.00 0.00 O ATOM 717 CB VAL A 49 -3.979 6.407 5.724 1.00 0.00 C ATOM 718 CG1 VAL A 49 -3.001 5.911 4.657 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.424 6.316 5.229 1.00 0.00 C ATOM 0 H VAL A 49 -4.965 7.071 8.018 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.932 4.580 6.794 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.757 7.456 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.150 6.476 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.978 6.051 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.177 4.853 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.525 6.873 4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.685 5.272 5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.093 6.739 5.979 1.00 0.00 H new ATOM 729 N GLN A 50 -1.826 4.667 8.024 1.00 0.00 N ATOM 730 CA GLN A 50 -0.498 4.668 8.612 1.00 0.00 C ATOM 731 C GLN A 50 0.479 3.902 7.718 1.00 0.00 C ATOM 732 O GLN A 50 0.380 2.683 7.585 1.00 0.00 O ATOM 733 CB GLN A 50 -0.523 4.081 10.025 1.00 0.00 C ATOM 734 CG GLN A 50 -0.693 5.183 11.073 1.00 0.00 C ATOM 735 CD GLN A 50 -0.469 4.636 12.485 1.00 0.00 C ATOM 736 OE1 GLN A 50 -1.006 3.611 12.874 1.00 0.00 O ATOM 737 NE2 GLN A 50 0.351 5.374 13.227 1.00 0.00 N ATOM 0 H GLN A 50 -2.257 3.746 7.945 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.157 5.700 8.689 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.339 3.364 10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.402 3.535 10.212 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.013 5.990 10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.693 5.609 10.999 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.767 6.221 12.839 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.565 5.093 14.184 1.00 0.00 H new ATOM 746 N VAL A 51 1.401 4.649 7.128 1.00 0.00 N ATOM 747 CA VAL A 51 2.396 4.055 6.250 1.00 0.00 C ATOM 748 C VAL A 51 3.791 4.504 6.690 1.00 0.00 C ATOM 749 O VAL A 51 4.026 5.693 6.901 1.00 0.00 O ATOM 750 CB VAL A 51 2.085 4.408 4.794 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.416 5.780 4.693 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.350 4.349 3.935 1.00 0.00 C ATOM 0 H VAL A 51 1.480 5.660 7.240 1.00 0.00 H new ATOM 0 HA VAL A 51 2.368 2.968 6.320 1.00 0.00 H new ATOM 0 HB VAL A 51 1.384 3.666 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.206 6.006 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.483 5.772 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.081 6.540 5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.102 4.604 2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.083 5.059 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.767 3.342 3.970 1.00 0.00 H new ATOM 762 N HIS A 52 4.679 3.529 6.815 1.00 0.00 N ATOM 763 CA HIS A 52 6.045 3.809 7.225 1.00 0.00 C ATOM 764 C HIS A 52 7.014 3.339 6.139 1.00 0.00 C ATOM 765 O HIS A 52 6.896 2.221 5.639 1.00 0.00 O ATOM 766 CB HIS A 52 6.339 3.188 8.592 1.00 0.00 C ATOM 767 CG HIS A 52 7.769 3.354 9.047 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.442 2.388 9.775 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.647 4.383 8.870 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.668 2.827 10.020 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.793 4.064 9.459 1.00 0.00 N ATOM 0 H HIS A 52 4.480 2.544 6.640 1.00 0.00 H new ATOM 0 HA HIS A 52 6.180 4.884 7.342 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.678 3.637 9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.101 2.125 8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.444 5.302 8.340 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.434 2.298 10.568 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.629 4.648 9.487 1.00 0.00 H new ATOM 779 N PHE A 53 7.950 4.215 5.806 1.00 0.00 N ATOM 780 CA PHE A 53 8.939 3.904 4.788 1.00 0.00 C ATOM 781 C PHE A 53 10.272 3.502 5.424 1.00 0.00 C ATOM 782 O PHE A 53 10.632 4.002 6.488 1.00 0.00 O ATOM 783 CB PHE A 53 9.145 5.174 3.961 1.00 0.00 C ATOM 784 CG PHE A 53 7.867 5.703 3.306 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.034 4.850 2.653 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.565 7.027 3.377 1.00 0.00 C ATOM 787 CE1 PHE A 53 5.849 5.341 2.045 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.380 7.519 2.769 1.00 0.00 C ATOM 789 CZ PHE A 53 5.547 6.665 2.115 1.00 0.00 C ATOM 0 H PHE A 53 8.045 5.141 6.223 1.00 0.00 H new ATOM 0 HA PHE A 53 8.593 3.072 4.175 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.560 5.950 4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.883 4.974 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.274 3.798 2.597 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.227 7.705 3.896 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.187 4.663 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.140 8.570 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.646 7.039 1.651 1.00 0.00 H new ATOM 799 N THR A 54 10.967 2.602 4.744 1.00 0.00 N ATOM 800 CA THR A 54 12.252 2.127 5.229 1.00 0.00 C ATOM 801 C THR A 54 13.304 2.213 4.121 1.00 0.00 C ATOM 802 O THR A 54 13.094 2.881 3.110 1.00 0.00 O ATOM 803 CB THR A 54 12.058 0.711 5.774 1.00 0.00 C ATOM 804 OG1 THR A 54 11.369 0.028 4.730 1.00 0.00 O ATOM 805 CG2 THR A 54 11.085 0.666 6.954 1.00 0.00 C ATOM 0 H THR A 54 10.665 2.189 3.862 1.00 0.00 H new ATOM 0 HA THR A 54 12.626 2.754 6.039 1.00 0.00 H new ATOM 0 HB THR A 54 13.022 0.306 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.383 0.575 3.917 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.983 -0.362 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.466 1.288 7.764 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.111 1.040 6.637 1.00 0.00 H new ATOM 813 N GLU A 55 14.414 1.526 4.350 1.00 0.00 N ATOM 814 CA GLU A 55 15.500 1.517 3.384 1.00 0.00 C ATOM 815 C GLU A 55 15.162 0.589 2.215 1.00 0.00 C ATOM 816 O GLU A 55 15.408 0.928 1.058 1.00 0.00 O ATOM 817 CB GLU A 55 16.818 1.107 4.045 1.00 0.00 C ATOM 818 CG GLU A 55 17.126 -0.369 3.786 1.00 0.00 C ATOM 819 CD GLU A 55 18.365 -0.815 4.565 1.00 0.00 C ATOM 820 OE1 GLU A 55 18.281 -0.821 5.812 1.00 0.00 O ATOM 821 OE2 GLU A 55 19.369 -1.140 3.895 1.00 0.00 O ATOM 0 H GLU A 55 14.585 0.972 5.189 1.00 0.00 H new ATOM 0 HA GLU A 55 15.624 2.528 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.629 1.724 3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.762 1.287 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.271 -0.979 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.285 -0.529 2.720 1.00 0.00 H new ATOM 828 N ARG A 56 14.603 -0.562 2.557 1.00 0.00 N ATOM 829 CA ARG A 56 14.228 -1.540 1.550 1.00 0.00 C ATOM 830 C ARG A 56 12.890 -2.188 1.911 1.00 0.00 C ATOM 831 O ARG A 56 12.792 -3.411 1.999 1.00 0.00 O ATOM 832 CB ARG A 56 15.295 -2.629 1.416 1.00 0.00 C ATOM 833 CG ARG A 56 16.582 -2.064 0.813 1.00 0.00 C ATOM 834 CD ARG A 56 16.713 -2.452 -0.661 1.00 0.00 C ATOM 835 NE ARG A 56 17.142 -3.864 -0.777 1.00 0.00 N ATOM 836 CZ ARG A 56 18.397 -4.286 -0.576 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.355 -3.409 -0.247 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.695 -5.587 -0.703 1.00 0.00 N ATOM 0 H ARG A 56 14.401 -0.840 3.517 1.00 0.00 H new ATOM 0 HA ARG A 56 14.137 -1.017 0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.506 -3.059 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.919 -3.436 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.587 -0.978 0.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.442 -2.437 1.369 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.759 -2.310 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.436 -1.802 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 56 16.438 -4.559 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.129 -2.419 -0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.311 -3.731 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 56 17.966 -6.255 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.651 -5.909 -0.550 1.00 0.00 H new ATOM 852 N SER A 57 11.892 -1.339 2.110 1.00 0.00 N ATOM 853 CA SER A 57 10.564 -1.814 2.460 1.00 0.00 C ATOM 854 C SER A 57 9.638 -0.626 2.726 1.00 0.00 C ATOM 855 O SER A 57 10.090 0.515 2.798 1.00 0.00 O ATOM 856 CB SER A 57 10.612 -2.735 3.681 1.00 0.00 C ATOM 857 OG SER A 57 10.221 -2.060 4.873 1.00 0.00 O ATOM 0 H SER A 57 11.977 -0.325 2.036 1.00 0.00 H new ATOM 0 HA SER A 57 10.174 -2.390 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.956 -3.590 3.516 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.622 -3.127 3.801 1.00 0.00 H new ATOM 0 HG SER A 57 10.777 -1.263 4.995 1.00 0.00 H new ATOM 863 N PHE A 58 8.357 -0.936 2.866 1.00 0.00 N ATOM 864 CA PHE A 58 7.363 0.092 3.124 1.00 0.00 C ATOM 865 C PHE A 58 6.029 -0.529 3.546 1.00 0.00 C ATOM 866 O PHE A 58 5.501 -1.400 2.858 1.00 0.00 O ATOM 867 CB PHE A 58 7.163 0.859 1.815 1.00 0.00 C ATOM 868 CG PHE A 58 5.906 0.454 1.042 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.677 0.667 1.583 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.018 -0.120 -0.186 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.510 0.291 0.865 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.852 -0.496 -0.903 1.00 0.00 C ATOM 873 CZ PHE A 58 3.623 -0.283 -0.363 1.00 0.00 C ATOM 0 H PHE A 58 7.985 -1.884 2.806 1.00 0.00 H new ATOM 0 HA PHE A 58 7.701 0.743 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.114 1.926 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.034 0.704 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.588 1.122 2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.994 -0.290 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.534 0.461 1.294 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.941 -0.952 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.736 -0.569 -0.909 1.00 0.00 H new ATOM 883 N ASP A 59 5.524 -0.055 4.675 1.00 0.00 N ATOM 884 CA ASP A 59 4.263 -0.553 5.197 1.00 0.00 C ATOM 885 C ASP A 59 3.180 0.510 5.001 1.00 0.00 C ATOM 886 O ASP A 59 3.467 1.706 5.025 1.00 0.00 O ATOM 887 CB ASP A 59 4.365 -0.851 6.695 1.00 0.00 C ATOM 888 CG ASP A 59 5.043 0.239 7.526 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.291 0.214 7.587 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.297 1.074 8.083 1.00 0.00 O ATOM 0 H ASP A 59 5.965 0.668 5.243 1.00 0.00 H new ATOM 0 HA ASP A 59 4.016 -1.470 4.662 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.361 -1.014 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.914 -1.783 6.828 1.00 0.00 H new ATOM 895 N LEU A 60 1.957 0.035 4.811 1.00 0.00 N ATOM 896 CA LEU A 60 0.830 0.929 4.610 1.00 0.00 C ATOM 897 C LEU A 60 -0.423 0.311 5.234 1.00 0.00 C ATOM 898 O LEU A 60 -0.896 -0.730 4.782 1.00 0.00 O ATOM 899 CB LEU A 60 0.674 1.271 3.127 1.00 0.00 C ATOM 900 CG LEU A 60 -0.297 2.407 2.798 1.00 0.00 C ATOM 901 CD1 LEU A 60 -1.049 2.125 1.496 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.250 2.669 3.966 1.00 0.00 C ATOM 0 H LEU A 60 1.723 -0.958 4.792 1.00 0.00 H new ATOM 0 HA LEU A 60 1.003 1.879 5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.655 1.532 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.345 0.375 2.601 1.00 0.00 H new ATOM 0 HG LEU A 60 0.282 3.318 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.732 2.947 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.336 2.027 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.615 1.199 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.929 3.481 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.825 1.767 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.675 2.946 4.850 1.00 0.00 H new ATOM 914 N LEU A 61 -0.925 0.980 6.262 1.00 0.00 N ATOM 915 CA LEU A 61 -2.114 0.510 6.952 1.00 0.00 C ATOM 916 C LEU A 61 -3.283 1.446 6.641 1.00 0.00 C ATOM 917 O LEU A 61 -3.082 2.635 6.396 1.00 0.00 O ATOM 918 CB LEU A 61 -1.836 0.347 8.448 1.00 0.00 C ATOM 919 CG LEU A 61 -3.067 0.224 9.348 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.862 1.530 9.372 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.933 -0.967 8.933 1.00 0.00 C ATOM 0 H LEU A 61 -0.530 1.844 6.634 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.396 -0.480 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.218 -0.540 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.249 1.202 8.784 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.727 0.036 10.367 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.732 1.415 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.231 2.333 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.191 1.774 8.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.801 -1.032 9.589 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.265 -0.834 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.351 -1.885 9.011 1.00 0.00 H new ATOM 933 N VAL A 62 -4.479 0.876 6.662 1.00 0.00 N ATOM 934 CA VAL A 62 -5.680 1.645 6.386 1.00 0.00 C ATOM 935 C VAL A 62 -6.827 1.119 7.249 1.00 0.00 C ATOM 936 O VAL A 62 -7.389 0.062 6.965 1.00 0.00 O ATOM 937 CB VAL A 62 -5.993 1.608 4.888 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.255 2.412 4.572 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.803 2.109 4.067 1.00 0.00 C ATOM 0 H VAL A 62 -4.642 -0.110 6.866 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.531 2.693 6.647 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.179 0.571 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.455 2.369 3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.100 1.991 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.110 3.450 4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.052 2.072 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.572 3.136 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.937 1.476 4.259 1.00 0.00 H new ATOM 949 N LYS A 63 -7.142 1.880 8.287 1.00 0.00 N ATOM 950 CA LYS A 63 -8.213 1.503 9.194 1.00 0.00 C ATOM 951 C LYS A 63 -9.485 2.265 8.819 1.00 0.00 C ATOM 952 O LYS A 63 -9.426 3.268 8.110 1.00 0.00 O ATOM 953 CB LYS A 63 -7.780 1.707 10.648 1.00 0.00 C ATOM 954 CG LYS A 63 -7.525 0.365 11.337 1.00 0.00 C ATOM 955 CD LYS A 63 -6.189 0.377 12.082 1.00 0.00 C ATOM 956 CE LYS A 63 -5.540 -1.008 12.067 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.347 -1.506 13.447 1.00 0.00 N ATOM 0 H LYS A 63 -6.674 2.756 8.520 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.437 0.441 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.875 2.314 10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.552 2.256 11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.334 0.152 12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.525 -0.434 10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.518 1.102 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.346 0.698 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.166 -1.703 11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.580 -0.960 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.905 -2.447 13.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.731 -0.851 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.268 -1.571 13.925 1.00 0.00 H new ATOM 971 N ASN A 64 -10.607 1.758 9.310 1.00 0.00 N ATOM 972 CA ASN A 64 -11.892 2.379 9.035 1.00 0.00 C ATOM 973 C ASN A 64 -11.918 2.865 7.585 1.00 0.00 C ATOM 974 O ASN A 64 -11.553 4.004 7.302 1.00 0.00 O ATOM 975 CB ASN A 64 -12.126 3.587 9.943 1.00 0.00 C ATOM 976 CG ASN A 64 -13.610 3.740 10.282 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.456 2.983 9.835 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.877 4.757 11.096 1.00 0.00 N ATOM 0 H ASN A 64 -10.653 0.925 9.896 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.670 1.637 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.550 3.473 10.861 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.767 4.491 9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.838 4.942 11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.121 5.352 11.434 1.00 0.00 H new ATOM 985 N LEU A 65 -12.354 1.976 6.704 1.00 0.00 N ATOM 986 CA LEU A 65 -12.433 2.300 5.290 1.00 0.00 C ATOM 987 C LEU A 65 -13.889 2.204 4.830 1.00 0.00 C ATOM 988 O LEU A 65 -14.738 2.972 5.279 1.00 0.00 O ATOM 989 CB LEU A 65 -11.475 1.421 4.485 1.00 0.00 C ATOM 990 CG LEU A 65 -11.351 1.752 2.996 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.902 3.148 2.697 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.907 1.592 2.516 1.00 0.00 C ATOM 0 H LEU A 65 -12.656 1.031 6.943 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.110 3.326 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.485 1.490 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.798 0.384 4.581 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.957 1.039 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.802 3.358 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.954 3.192 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.343 3.890 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.847 1.833 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.260 2.265 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.583 0.563 2.673 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.134 1.254 3.939 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.472 1.047 3.413 1.00 0.00 C ATOM 1006 C ASN A 66 -16.141 -0.103 4.169 1.00 0.00 C ATOM 1007 O ASN A 66 -16.197 -1.227 3.672 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.430 0.677 1.930 1.00 0.00 C ATOM 1009 CG ASN A 66 -14.327 -0.346 1.651 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -14.270 -1.413 2.240 1.00 0.00 O ATOM 1011 ND2 ASN A 66 -13.455 0.038 0.723 1.00 0.00 N ATOM 0 H ASN A 66 -13.427 0.619 3.568 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.030 1.975 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -16.394 0.270 1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.260 1.573 1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.681 -0.574 0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.561 0.945 0.268 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.631 0.217 5.358 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.293 -0.775 6.186 1.00 0.00 C ATOM 1020 C GLY A 67 -16.304 -1.842 6.661 1.00 0.00 C ATOM 1021 O GLY A 67 -16.708 -2.905 7.129 1.00 0.00 O ATOM 0 H GLY A 67 -16.582 1.150 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.750 -0.288 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.098 -1.246 5.622 1.00 0.00 H new ATOM 1025 N LYS A 68 -15.026 -1.521 6.523 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.975 -2.438 6.932 1.00 0.00 C ATOM 1027 C LYS A 68 -12.632 -1.705 6.923 1.00 0.00 C ATOM 1028 O LYS A 68 -12.589 -0.483 6.791 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.995 -3.697 6.062 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.543 -3.391 4.667 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.757 -4.144 3.592 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.928 -5.656 3.745 1.00 0.00 C ATOM 1033 NZ LYS A 68 -15.134 -6.117 3.021 1.00 0.00 N ATOM 0 H LYS A 68 -14.694 -0.639 6.134 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.144 -2.781 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.987 -4.102 5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.608 -4.462 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.595 -3.671 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.489 -2.319 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.097 -3.834 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.700 -3.885 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.047 -6.169 3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.010 -5.914 4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.235 -7.146 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.974 -5.641 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.041 -5.888 2.011 1.00 0.00 H new ATOM 1047 N SER A 69 -11.569 -2.483 7.064 1.00 0.00 N ATOM 1048 CA SER A 69 -10.228 -1.923 7.073 1.00 0.00 C ATOM 1049 C SER A 69 -9.327 -2.707 6.117 1.00 0.00 C ATOM 1050 O SER A 69 -9.569 -3.885 5.856 1.00 0.00 O ATOM 1051 CB SER A 69 -9.638 -1.931 8.485 1.00 0.00 C ATOM 1052 OG SER A 69 -10.436 -1.187 9.401 1.00 0.00 O ATOM 0 H SER A 69 -11.609 -3.496 7.173 1.00 0.00 H new ATOM 0 HA SER A 69 -10.287 -0.887 6.739 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.548 -2.960 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.631 -1.514 8.460 1.00 0.00 H new ATOM 0 HG SER A 69 -11.128 -0.698 8.909 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.307 -2.023 5.622 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.368 -2.641 4.700 1.00 0.00 C ATOM 1060 C TYR A 70 -5.925 -2.419 5.157 1.00 0.00 C ATOM 1061 O TYR A 70 -5.617 -1.407 5.785 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.578 -1.943 3.354 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.961 -2.174 2.743 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.085 -1.674 3.370 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -9.085 -2.880 1.564 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.387 -1.891 2.794 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.387 -3.097 0.989 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.474 -2.592 1.632 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.703 -2.797 1.088 1.00 0.00 O ATOM 0 H TYR A 70 -8.109 -1.047 5.841 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.536 -3.717 4.644 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.424 -0.872 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.820 -2.292 2.653 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.988 -1.120 4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.206 -3.270 1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.274 -1.506 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.498 -3.649 0.067 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.388 -2.409 1.672 1.00 0.00 H new ATOM 1079 N SER A 71 -5.078 -3.381 4.823 1.00 0.00 N ATOM 1080 CA SER A 71 -3.674 -3.304 5.191 1.00 0.00 C ATOM 1081 C SER A 71 -2.799 -3.715 4.005 1.00 0.00 C ATOM 1082 O SER A 71 -3.152 -4.623 3.254 1.00 0.00 O ATOM 1083 CB SER A 71 -3.373 -4.186 6.404 1.00 0.00 C ATOM 1084 OG SER A 71 -3.774 -5.538 6.193 1.00 0.00 O ATOM 0 H SER A 71 -5.337 -4.218 4.301 1.00 0.00 H new ATOM 0 HA SER A 71 -3.447 -2.273 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.305 -4.154 6.620 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.887 -3.788 7.279 1.00 0.00 H new ATOM 0 HG SER A 71 -4.386 -5.582 5.429 1.00 0.00 H new ATOM 1090 N MET A 72 -1.675 -3.026 3.873 1.00 0.00 N ATOM 1091 CA MET A 72 -0.747 -3.309 2.792 1.00 0.00 C ATOM 1092 C MET A 72 0.695 -3.018 3.216 1.00 0.00 C ATOM 1093 O MET A 72 1.034 -1.881 3.538 1.00 0.00 O ATOM 1094 CB MET A 72 -1.103 -2.451 1.576 1.00 0.00 C ATOM 1095 CG MET A 72 0.049 -2.419 0.570 1.00 0.00 C ATOM 1096 SD MET A 72 -0.563 -1.972 -1.046 1.00 0.00 S ATOM 1097 CE MET A 72 -0.034 -3.396 -1.983 1.00 0.00 C ATOM 0 H MET A 72 -1.386 -2.272 4.497 1.00 0.00 H new ATOM 0 HA MET A 72 -0.826 -4.366 2.539 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.998 -2.847 1.097 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.337 -1.436 1.899 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.804 -1.703 0.893 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.533 -3.395 0.528 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.507 -3.067 -2.870 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.620 -4.014 -1.368 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.905 -3.977 -2.284 1.00 0.00 H new ATOM 1107 N ILE A 73 1.504 -4.067 3.204 1.00 0.00 N ATOM 1108 CA ILE A 73 2.901 -3.940 3.583 1.00 0.00 C ATOM 1109 C ILE A 73 3.772 -4.666 2.557 1.00 0.00 C ATOM 1110 O ILE A 73 3.374 -5.697 2.018 1.00 0.00 O ATOM 1111 CB ILE A 73 3.112 -4.421 5.020 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.434 -3.481 6.019 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.600 -4.604 5.324 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.942 -3.732 7.440 1.00 0.00 C ATOM 0 H ILE A 73 1.219 -5.009 2.938 1.00 0.00 H new ATOM 0 HA ILE A 73 3.204 -2.893 3.574 1.00 0.00 H new ATOM 0 HB ILE A 73 2.639 -5.397 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.626 -2.446 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.354 -3.625 5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.722 -4.946 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.022 -5.343 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.117 -3.653 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.444 -3.051 8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.726 -4.761 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.018 -3.563 7.477 1.00 0.00 H new ATOM 1126 N VAL A 74 4.946 -4.099 2.318 1.00 0.00 N ATOM 1127 CA VAL A 74 5.877 -4.680 1.366 1.00 0.00 C ATOM 1128 C VAL A 74 7.250 -4.826 2.026 1.00 0.00 C ATOM 1129 O VAL A 74 7.821 -3.846 2.501 1.00 0.00 O ATOM 1130 CB VAL A 74 5.914 -3.837 0.089 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.571 -3.144 -0.149 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.055 -2.819 0.137 1.00 0.00 C ATOM 0 H VAL A 74 5.273 -3.244 2.767 1.00 0.00 H new ATOM 0 HA VAL A 74 5.550 -5.677 1.072 1.00 0.00 H new ATOM 0 HB VAL A 74 6.099 -4.508 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.624 -2.552 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.787 -3.895 -0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.344 -2.491 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.059 -2.233 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.915 -2.155 0.990 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.006 -3.343 0.238 1.00 0.00 H new ATOM 1142 N ASN A 75 7.739 -6.057 2.034 1.00 0.00 N ATOM 1143 CA ASN A 75 9.034 -6.344 2.627 1.00 0.00 C ATOM 1144 C ASN A 75 9.963 -6.923 1.559 1.00 0.00 C ATOM 1145 O ASN A 75 9.572 -7.817 0.809 1.00 0.00 O ATOM 1146 CB ASN A 75 8.908 -7.373 3.753 1.00 0.00 C ATOM 1147 CG ASN A 75 7.927 -6.895 4.825 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.000 -7.589 5.209 1.00 0.00 O ATOM 1149 ND2 ASN A 75 8.182 -5.673 5.286 1.00 0.00 N ATOM 0 H ASN A 75 7.262 -6.867 1.639 1.00 0.00 H new ATOM 0 HA ASN A 75 9.433 -5.414 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.570 -8.325 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.886 -7.548 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.584 -5.264 6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.975 -5.145 4.921 1.00 0.00 H new ATOM 1156 N ASN A 76 11.176 -6.391 1.523 1.00 0.00 N ATOM 1157 CA ASN A 76 12.164 -6.844 0.558 1.00 0.00 C ATOM 1158 C ASN A 76 11.911 -6.157 -0.785 1.00 0.00 C ATOM 1159 O ASN A 76 11.268 -6.725 -1.666 1.00 0.00 O ATOM 1160 CB ASN A 76 12.068 -8.356 0.341 1.00 0.00 C ATOM 1161 CG ASN A 76 11.711 -9.075 1.643 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.251 -8.801 2.703 1.00 0.00 O ATOM 1163 ND2 ASN A 76 10.774 -10.009 1.506 1.00 0.00 N ATOM 0 H ASN A 76 11.497 -5.650 2.147 1.00 0.00 H new ATOM 0 HA ASN A 76 13.152 -6.597 0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.314 -8.571 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.017 -8.734 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.467 -10.546 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.363 -10.188 0.590 1.00 0.00 H new ATOM 1170 N LEU A 77 12.431 -4.943 -0.899 1.00 0.00 N ATOM 1171 CA LEU A 77 12.271 -4.172 -2.120 1.00 0.00 C ATOM 1172 C LEU A 77 13.468 -4.425 -3.039 1.00 0.00 C ATOM 1173 O LEU A 77 14.616 -4.318 -2.612 1.00 0.00 O ATOM 1174 CB LEU A 77 12.046 -2.694 -1.795 1.00 0.00 C ATOM 1175 CG LEU A 77 10.756 -2.361 -1.042 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.809 -0.946 -0.464 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.531 -2.571 -1.935 1.00 0.00 C ATOM 0 H LEU A 77 12.963 -4.475 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 77 11.381 -4.495 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.890 -2.340 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.053 -2.132 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 77 10.663 -3.048 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.880 -0.734 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.648 -0.867 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.937 -0.227 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.627 -2.328 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.603 -1.924 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.489 -3.612 -2.257 1.00 0.00 H new ATOM 1189 N LEU A 78 13.158 -4.756 -4.284 1.00 0.00 N ATOM 1190 CA LEU A 78 14.194 -5.025 -5.267 1.00 0.00 C ATOM 1191 C LEU A 78 15.360 -4.059 -5.050 1.00 0.00 C ATOM 1192 O LEU A 78 16.519 -4.471 -5.040 1.00 0.00 O ATOM 1193 CB LEU A 78 13.614 -4.980 -6.682 1.00 0.00 C ATOM 1194 CG LEU A 78 14.272 -5.908 -7.706 1.00 0.00 C ATOM 1195 CD1 LEU A 78 13.815 -7.354 -7.509 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.020 -5.416 -9.133 1.00 0.00 C ATOM 0 H LEU A 78 12.204 -4.844 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 78 14.587 -6.034 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.554 -5.226 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.685 -3.957 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 78 15.350 -5.887 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.297 -7.992 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.088 -7.689 -6.508 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.733 -7.413 -7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.498 -6.093 -9.841 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.947 -5.389 -9.324 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.435 -4.415 -9.251 1.00 0.00 H new ATOM 1208 N LYS A 79 15.013 -2.791 -4.881 1.00 0.00 N ATOM 1209 CA LYS A 79 16.016 -1.763 -4.664 1.00 0.00 C ATOM 1210 C LYS A 79 15.663 -0.969 -3.405 1.00 0.00 C ATOM 1211 O LYS A 79 14.517 -0.982 -2.959 1.00 0.00 O ATOM 1212 CB LYS A 79 16.173 -0.895 -5.914 1.00 0.00 C ATOM 1213 CG LYS A 79 16.341 -1.761 -7.165 1.00 0.00 C ATOM 1214 CD LYS A 79 17.819 -1.922 -7.526 1.00 0.00 C ATOM 1215 CE LYS A 79 18.054 -3.214 -8.312 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.389 -3.772 -8.004 1.00 0.00 N ATOM 0 H LYS A 79 14.051 -2.453 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 79 16.993 -2.215 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.300 -0.252 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.038 -0.241 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.896 -2.741 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.806 -1.308 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.148 -1.067 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.420 -1.931 -6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.283 -3.943 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.974 -3.016 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.532 -4.648 -8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.122 -3.081 -8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.452 -3.979 -6.987 1.00 0.00 H new ATOM 1230 N PRO A 80 16.697 -0.278 -2.852 1.00 0.00 N ATOM 1231 CA PRO A 80 16.507 0.520 -1.653 1.00 0.00 C ATOM 1232 C PRO A 80 15.764 1.819 -1.971 1.00 0.00 C ATOM 1233 O PRO A 80 15.650 2.204 -3.134 1.00 0.00 O ATOM 1234 CB PRO A 80 17.907 0.754 -1.111 1.00 0.00 C ATOM 1235 CG PRO A 80 18.854 0.479 -2.268 1.00 0.00 C ATOM 1236 CD PRO A 80 18.068 -0.240 -3.352 1.00 0.00 C ATOM 0 HA PRO A 80 15.885 0.021 -0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.020 1.776 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.116 0.093 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.269 1.411 -2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.694 -0.131 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.128 0.290 -4.303 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.456 -1.244 -3.522 1.00 0.00 H new ATOM 1244 N ILE A 81 15.277 2.458 -0.917 1.00 0.00 N ATOM 1245 CA ILE A 81 14.547 3.705 -1.070 1.00 0.00 C ATOM 1246 C ILE A 81 14.826 4.604 0.136 1.00 0.00 C ATOM 1247 O ILE A 81 14.997 4.117 1.253 1.00 0.00 O ATOM 1248 CB ILE A 81 13.060 3.431 -1.302 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.492 2.524 -0.209 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.819 2.863 -2.702 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.476 3.274 0.654 1.00 0.00 C ATOM 0 H ILE A 81 15.374 2.136 0.046 1.00 0.00 H new ATOM 0 HA ILE A 81 14.890 4.241 -1.955 1.00 0.00 H new ATOM 0 HB ILE A 81 12.525 4.379 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.017 1.655 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.303 2.153 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.754 2.677 -2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.163 3.578 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.368 1.928 -2.815 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.088 2.606 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.960 4.128 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.654 3.623 0.028 1.00 0.00 H new ATOM 1263 N SER A 82 14.864 5.902 -0.129 1.00 0.00 N ATOM 1264 CA SER A 82 15.119 6.874 0.920 1.00 0.00 C ATOM 1265 C SER A 82 13.850 7.099 1.744 1.00 0.00 C ATOM 1266 O SER A 82 12.776 7.325 1.188 1.00 0.00 O ATOM 1267 CB SER A 82 15.615 8.198 0.336 1.00 0.00 C ATOM 1268 OG SER A 82 14.781 9.291 0.709 1.00 0.00 O ATOM 0 H SER A 82 14.722 6.303 -1.056 1.00 0.00 H new ATOM 0 HA SER A 82 15.901 6.480 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.633 8.386 0.677 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.651 8.124 -0.751 1.00 0.00 H new ATOM 0 HG SER A 82 15.308 9.949 1.209 1.00 0.00 H new ATOM 1274 N VAL A 83 14.015 7.029 3.057 1.00 0.00 N ATOM 1275 CA VAL A 83 12.896 7.223 3.964 1.00 0.00 C ATOM 1276 C VAL A 83 12.602 8.719 4.091 1.00 0.00 C ATOM 1277 O VAL A 83 11.566 9.193 3.627 1.00 0.00 O ATOM 1278 CB VAL A 83 13.190 6.555 5.308 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.169 6.979 6.366 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.232 5.032 5.166 1.00 0.00 C ATOM 0 H VAL A 83 14.907 6.841 3.515 1.00 0.00 H new ATOM 0 HA VAL A 83 11.998 6.748 3.570 1.00 0.00 H new ATOM 0 HB VAL A 83 14.174 6.888 5.639 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.401 6.490 7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.209 8.060 6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.169 6.689 6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.443 4.582 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.269 4.674 4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.014 4.754 4.459 1.00 0.00 H new ATOM 1290 N GLU A 84 13.531 9.421 4.723 1.00 0.00 N ATOM 1291 CA GLU A 84 13.384 10.853 4.917 1.00 0.00 C ATOM 1292 C GLU A 84 12.924 11.521 3.620 1.00 0.00 C ATOM 1293 O GLU A 84 12.307 12.584 3.649 1.00 0.00 O ATOM 1294 CB GLU A 84 14.688 11.475 5.421 1.00 0.00 C ATOM 1295 CG GLU A 84 15.072 10.909 6.790 1.00 0.00 C ATOM 1296 CD GLU A 84 16.373 11.536 7.297 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.315 12.720 7.694 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.395 10.817 7.276 1.00 0.00 O ATOM 0 H GLU A 84 14.389 9.024 5.107 1.00 0.00 H new ATOM 0 HA GLU A 84 12.622 11.020 5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.488 11.281 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.576 12.557 5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.270 11.099 7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.188 9.827 6.721 1.00 0.00 H new ATOM 1305 N GLY A 85 13.242 10.868 2.511 1.00 0.00 N ATOM 1306 CA GLY A 85 12.869 11.385 1.205 1.00 0.00 C ATOM 1307 C GLY A 85 11.535 10.796 0.743 1.00 0.00 C ATOM 1308 O GLY A 85 10.784 11.445 0.017 1.00 0.00 O ATOM 0 H GLY A 85 13.754 9.986 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.796 12.472 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.647 11.146 0.480 1.00 0.00 H new ATOM 1312 N SER A 86 11.281 9.572 1.183 1.00 0.00 N ATOM 1313 CA SER A 86 10.050 8.888 0.823 1.00 0.00 C ATOM 1314 C SER A 86 8.845 9.663 1.359 1.00 0.00 C ATOM 1315 O SER A 86 8.940 10.335 2.385 1.00 0.00 O ATOM 1316 CB SER A 86 10.040 7.455 1.358 1.00 0.00 C ATOM 1317 OG SER A 86 10.646 6.541 0.448 1.00 0.00 O ATOM 0 H SER A 86 11.906 9.036 1.785 1.00 0.00 H new ATOM 0 HA SER A 86 9.990 8.842 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.567 7.420 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.012 7.147 1.551 1.00 0.00 H new ATOM 0 HG SER A 86 11.565 6.355 0.734 1.00 0.00 H new ATOM 1323 N SER A 87 7.738 9.543 0.641 1.00 0.00 N ATOM 1324 CA SER A 87 6.515 10.225 1.031 1.00 0.00 C ATOM 1325 C SER A 87 5.302 9.356 0.694 1.00 0.00 C ATOM 1326 O SER A 87 5.404 8.422 -0.100 1.00 0.00 O ATOM 1327 CB SER A 87 6.400 11.587 0.344 1.00 0.00 C ATOM 1328 OG SER A 87 7.622 12.317 0.398 1.00 0.00 O ATOM 0 H SER A 87 7.662 8.984 -0.209 1.00 0.00 H new ATOM 0 HA SER A 87 6.546 10.394 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.108 11.445 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.610 12.167 0.820 1.00 0.00 H new ATOM 0 HG SER A 87 7.508 13.180 -0.053 1.00 0.00 H new ATOM 1334 N LYS A 88 4.181 9.694 1.314 1.00 0.00 N ATOM 1335 CA LYS A 88 2.949 8.957 1.090 1.00 0.00 C ATOM 1336 C LYS A 88 1.864 9.921 0.606 1.00 0.00 C ATOM 1337 O LYS A 88 1.775 11.051 1.083 1.00 0.00 O ATOM 1338 CB LYS A 88 2.560 8.171 2.343 1.00 0.00 C ATOM 1339 CG LYS A 88 1.558 8.955 3.193 1.00 0.00 C ATOM 1340 CD LYS A 88 0.158 8.903 2.578 1.00 0.00 C ATOM 1341 CE LYS A 88 -0.793 8.080 3.449 1.00 0.00 C ATOM 1342 NZ LYS A 88 -1.964 8.892 3.849 1.00 0.00 N ATOM 0 H LYS A 88 4.100 10.469 1.972 1.00 0.00 H new ATOM 0 HA LYS A 88 3.087 8.213 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.127 7.213 2.056 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.451 7.955 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.531 8.544 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.883 9.992 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.231 9.915 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.211 8.468 1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.125 7.198 2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.268 7.726 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.033 8.914 4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.854 9.861 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.829 8.472 3.453 1.00 0.00 H new ATOM 1356 N LYS A 89 1.066 9.438 -0.335 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.010 10.243 -0.889 1.00 0.00 C ATOM 1358 C LYS A 89 -1.251 9.368 -1.076 1.00 0.00 C ATOM 1359 O LYS A 89 -1.148 8.143 -1.139 1.00 0.00 O ATOM 1360 CB LYS A 89 0.448 10.942 -2.170 1.00 0.00 C ATOM 1361 CG LYS A 89 1.019 12.328 -1.864 1.00 0.00 C ATOM 1362 CD LYS A 89 0.451 13.378 -2.821 1.00 0.00 C ATOM 1363 CE LYS A 89 0.892 13.104 -4.260 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.020 13.823 -5.216 1.00 0.00 N ATOM 0 H LYS A 89 1.143 8.500 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.283 11.041 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.204 10.336 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.392 11.035 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.784 12.603 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.106 12.304 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.638 13.376 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.785 14.370 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.927 13.418 -4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.855 12.033 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.334 13.626 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.963 13.503 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.076 14.846 -5.035 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.396 10.030 -1.160 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.655 9.327 -1.338 1.00 0.00 C ATOM 1380 C VAL A 90 -4.478 10.032 -2.419 1.00 0.00 C ATOM 1381 O VAL A 90 -4.715 11.236 -2.337 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.390 9.222 0.000 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.832 8.753 -0.203 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.643 8.299 0.964 1.00 0.00 C ATOM 0 H VAL A 90 -2.478 11.045 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.478 8.306 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.421 10.216 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.332 8.687 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.360 9.465 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.832 7.773 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.186 8.242 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.566 7.303 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.643 8.694 1.145 1.00 0.00 H new ATOM 1394 N LYS A 91 -4.891 9.251 -3.406 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.683 9.785 -4.501 1.00 0.00 C ATOM 1396 C LYS A 91 -7.129 9.305 -4.361 1.00 0.00 C ATOM 1397 O LYS A 91 -7.449 8.545 -3.448 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.045 9.430 -5.846 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.097 8.237 -5.705 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.549 7.809 -7.068 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.674 8.907 -7.676 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.329 9.492 -8.867 1.00 0.00 N ATOM 0 H LYS A 91 -4.692 8.253 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.703 10.874 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.824 9.196 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.498 10.290 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.272 8.500 -5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.623 7.402 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.967 6.894 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.376 7.583 -7.742 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.490 9.686 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.704 8.495 -7.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.722 10.235 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.482 8.749 -9.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.244 9.903 -8.593 1.00 0.00 H new ATOM 1416 N THR A 92 -7.964 9.770 -5.278 1.00 0.00 N ATOM 1417 CA THR A 92 -9.369 9.397 -5.268 1.00 0.00 C ATOM 1418 C THR A 92 -9.519 7.878 -5.366 1.00 0.00 C ATOM 1419 O THR A 92 -9.045 7.264 -6.320 1.00 0.00 O ATOM 1420 CB THR A 92 -10.066 10.151 -6.403 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.749 11.518 -6.158 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.591 10.095 -6.293 1.00 0.00 C ATOM 0 H THR A 92 -7.695 10.401 -6.033 1.00 0.00 H new ATOM 0 HA THR A 92 -9.846 9.679 -4.329 1.00 0.00 H new ATOM 0 HB THR A 92 -9.756 9.733 -7.361 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.160 12.078 -6.849 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.036 10.645 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.920 9.057 -6.328 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.904 10.543 -5.350 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.181 7.315 -4.365 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.399 5.879 -4.326 1.00 0.00 C ATOM 1432 C ASP A 93 -9.097 5.160 -4.686 1.00 0.00 C ATOM 1433 O ASP A 93 -9.123 4.062 -5.240 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.467 5.457 -5.337 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.199 5.888 -6.780 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -11.495 7.063 -7.086 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -10.703 5.032 -7.545 1.00 0.00 O ATOM 0 H ASP A 93 -10.573 7.828 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.729 5.615 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.562 4.372 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.426 5.869 -5.023 1.00 0.00 H new ATOM 1442 N THR A 94 -7.990 5.808 -4.357 1.00 0.00 N ATOM 1443 CA THR A 94 -6.681 5.244 -4.638 1.00 0.00 C ATOM 1444 C THR A 94 -5.647 5.773 -3.642 1.00 0.00 C ATOM 1445 O THR A 94 -5.688 6.942 -3.261 1.00 0.00 O ATOM 1446 CB THR A 94 -6.335 5.555 -6.096 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.246 4.757 -6.846 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.957 5.025 -6.497 1.00 0.00 C ATOM 0 H THR A 94 -7.972 6.719 -3.898 1.00 0.00 H new ATOM 0 HA THR A 94 -6.682 4.161 -4.513 1.00 0.00 H new ATOM 0 HB THR A 94 -6.369 6.633 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.776 4.203 -6.235 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.761 5.273 -7.540 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.194 5.482 -5.867 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.932 3.943 -6.370 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.743 4.887 -3.250 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.700 5.250 -2.306 1.00 0.00 C ATOM 1458 C VAL A 95 -2.349 5.259 -3.024 1.00 0.00 C ATOM 1459 O VAL A 95 -2.003 4.302 -3.714 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.731 4.306 -1.102 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.619 2.847 -1.547 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.632 4.660 -0.099 1.00 0.00 C ATOM 0 H VAL A 95 -4.711 3.919 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.869 6.255 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.692 4.431 -0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.643 2.197 -0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.453 2.602 -2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.680 2.701 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.677 3.974 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.658 4.578 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.777 5.681 0.254 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.622 6.351 -2.836 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.316 6.497 -3.457 1.00 0.00 C ATOM 1474 C LEU A 96 0.772 6.220 -2.417 1.00 0.00 C ATOM 1475 O LEU A 96 0.593 6.507 -1.235 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.192 7.866 -4.128 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.355 7.884 -5.649 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.165 9.196 -6.240 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.313 6.664 -6.287 1.00 0.00 C ATOM 0 H LEU A 96 -1.913 7.143 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.189 5.765 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.940 8.530 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.785 8.282 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.419 7.826 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.038 9.183 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.394 10.032 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.222 9.309 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.182 6.702 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.377 6.666 -6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.144 5.754 -5.898 1.00 0.00 H new ATOM 1491 N ILE A 97 1.876 5.667 -2.896 1.00 0.00 N ATOM 1492 CA ILE A 97 2.994 5.349 -2.023 1.00 0.00 C ATOM 1493 C ILE A 97 4.300 5.769 -2.700 1.00 0.00 C ATOM 1494 O ILE A 97 4.913 4.980 -3.418 1.00 0.00 O ATOM 1495 CB ILE A 97 2.956 3.874 -1.621 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.568 3.480 -1.112 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.052 3.555 -0.602 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.288 4.105 0.256 1.00 0.00 C ATOM 0 H ILE A 97 2.021 5.431 -3.878 1.00 0.00 H new ATOM 0 HA ILE A 97 2.923 5.911 -1.092 1.00 0.00 H new ATOM 0 HB ILE A 97 3.156 3.273 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.810 3.803 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.497 2.395 -1.041 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.003 2.500 -0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.027 3.774 -1.036 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.908 4.164 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.295 3.809 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.034 3.761 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.336 5.191 0.176 1.00 0.00 H new ATOM 1510 N LEU A 98 4.688 7.010 -2.448 1.00 0.00 N ATOM 1511 CA LEU A 98 5.910 7.544 -3.024 1.00 0.00 C ATOM 1512 C LEU A 98 7.115 6.972 -2.274 1.00 0.00 C ATOM 1513 O LEU A 98 7.262 7.189 -1.072 1.00 0.00 O ATOM 1514 CB LEU A 98 5.869 9.074 -3.046 1.00 0.00 C ATOM 1515 CG LEU A 98 4.771 9.703 -3.906 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.281 11.017 -3.295 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.242 9.882 -5.351 1.00 0.00 C ATOM 0 H LEU A 98 4.177 7.662 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 98 6.006 7.236 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.750 9.429 -2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.833 9.439 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 98 3.920 9.022 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.501 11.443 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.879 10.828 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.113 11.718 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.443 10.331 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.117 10.532 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.502 8.911 -5.772 1.00 0.00 H new ATOM 1529 N CYS A 99 7.946 6.254 -3.014 1.00 0.00 N ATOM 1530 CA CYS A 99 9.133 5.649 -2.434 1.00 0.00 C ATOM 1531 C CYS A 99 10.360 6.207 -3.159 1.00 0.00 C ATOM 1532 O CYS A 99 10.569 5.926 -4.338 1.00 0.00 O ATOM 1533 CB CYS A 99 9.078 4.122 -2.497 1.00 0.00 C ATOM 1534 SG CYS A 99 8.082 3.473 -1.106 1.00 0.00 S ATOM 0 H CYS A 99 7.821 6.077 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 99 9.192 5.901 -1.375 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.644 3.804 -3.445 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.087 3.712 -2.455 1.00 0.00 H new ATOM 0 HG CYS A 99 8.040 2.175 -1.171 1.00 0.00 H new ATOM 1540 N ARG A 100 11.138 6.988 -2.424 1.00 0.00 N ATOM 1541 CA ARG A 100 12.338 7.587 -2.982 1.00 0.00 C ATOM 1542 C ARG A 100 13.276 6.501 -3.512 1.00 0.00 C ATOM 1543 O ARG A 100 13.311 5.392 -2.981 1.00 0.00 O ATOM 1544 CB ARG A 100 13.075 8.422 -1.933 1.00 0.00 C ATOM 1545 CG ARG A 100 12.640 9.887 -1.993 1.00 0.00 C ATOM 1546 CD ARG A 100 12.715 10.423 -3.425 1.00 0.00 C ATOM 1547 NE ARG A 100 11.371 10.405 -4.043 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.381 11.247 -3.713 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.579 12.178 -2.770 1.00 0.00 N ATOM 1550 NH2 ARG A 100 9.193 11.158 -4.327 1.00 0.00 N ATOM 0 H ARG A 100 10.960 7.220 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 100 12.034 8.239 -3.801 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.877 8.021 -0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 100 14.150 8.351 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.621 9.983 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.277 10.486 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.109 11.439 -3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.403 9.816 -4.014 1.00 0.00 H new ATOM 0 HE ARG A 100 11.186 9.709 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.483 12.246 -2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.826 12.818 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.042 10.450 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.440 11.798 -4.076 1.00 0.00 H new ATOM 1564 N LYS A 101 14.015 6.859 -4.552 1.00 0.00 N ATOM 1565 CA LYS A 101 14.952 5.929 -5.160 1.00 0.00 C ATOM 1566 C LYS A 101 16.364 6.232 -4.655 1.00 0.00 C ATOM 1567 O LYS A 101 16.861 7.344 -4.822 1.00 0.00 O ATOM 1568 CB LYS A 101 14.823 5.958 -6.684 1.00 0.00 C ATOM 1569 CG LYS A 101 13.926 4.823 -7.181 1.00 0.00 C ATOM 1570 CD LYS A 101 14.333 4.377 -8.586 1.00 0.00 C ATOM 1571 CE LYS A 101 14.107 2.875 -8.773 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.189 2.626 -9.907 1.00 0.00 N ATOM 0 H LYS A 101 13.984 7.780 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 101 14.720 4.906 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.411 6.917 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.810 5.871 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.989 3.978 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.887 5.152 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.757 4.930 -9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.383 4.614 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.060 2.378 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.692 2.447 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.716 1.709 -9.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.475 3.381 -9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.730 2.613 -10.795 1.00 0.00 H new ATOM 1585 N LYS A 102 16.971 5.222 -4.049 1.00 0.00 N ATOM 1586 CA LYS A 102 18.316 5.366 -3.520 1.00 0.00 C ATOM 1587 C LYS A 102 19.300 5.537 -4.679 1.00 0.00 C ATOM 1588 O LYS A 102 20.362 6.136 -4.514 1.00 0.00 O ATOM 1589 CB LYS A 102 18.656 4.197 -2.592 1.00 0.00 C ATOM 1590 CG LYS A 102 19.887 4.512 -1.741 1.00 0.00 C ATOM 1591 CD LYS A 102 20.093 3.449 -0.660 1.00 0.00 C ATOM 1592 CE LYS A 102 21.532 3.465 -0.143 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.895 4.816 0.342 1.00 0.00 N ATOM 0 H LYS A 102 16.556 4.300 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 102 18.389 6.263 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.806 3.984 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 102 18.838 3.300 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.770 4.564 -2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.771 5.491 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.404 3.627 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.859 2.464 -1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.643 2.741 0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.213 3.163 -0.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.780 4.764 0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 22.024 5.453 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.136 5.181 0.952 1.00 0.00 H new ATOM 1607 N VAL A 103 18.913 4.999 -5.826 1.00 0.00 N ATOM 1608 CA VAL A 103 19.748 5.085 -7.012 1.00 0.00 C ATOM 1609 C VAL A 103 18.864 5.330 -8.236 1.00 0.00 C ATOM 1610 O VAL A 103 17.937 4.565 -8.501 1.00 0.00 O ATOM 1611 CB VAL A 103 20.608 3.825 -7.139 1.00 0.00 C ATOM 1612 CG1 VAL A 103 21.234 3.727 -8.531 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.682 3.783 -6.050 1.00 0.00 C ATOM 0 H VAL A 103 18.032 4.502 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 103 20.436 5.926 -6.934 1.00 0.00 H new ATOM 0 HB VAL A 103 19.959 2.960 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.840 2.823 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.446 3.689 -9.283 1.00 0.00 H new ATOM 0 HG13 VAL A 103 21.863 4.599 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.279 2.878 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 103 22.327 4.657 -6.141 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.206 3.784 -5.069 1.00 0.00 H new ATOM 1623 N GLU A 104 19.180 6.400 -8.951 1.00 0.00 N ATOM 1624 CA GLU A 104 18.426 6.756 -10.141 1.00 0.00 C ATOM 1625 C GLU A 104 18.753 5.793 -11.284 1.00 0.00 C ATOM 1626 O GLU A 104 19.580 4.895 -11.127 1.00 0.00 O ATOM 1627 CB GLU A 104 18.698 8.205 -10.549 1.00 0.00 C ATOM 1628 CG GLU A 104 18.390 9.166 -9.399 1.00 0.00 C ATOM 1629 CD GLU A 104 19.594 9.306 -8.465 1.00 0.00 C ATOM 1630 OE1 GLU A 104 20.728 9.230 -8.985 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.352 9.485 -7.252 1.00 0.00 O ATOM 0 H GLU A 104 19.949 7.032 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 104 17.363 6.671 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.741 8.313 -10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.089 8.463 -11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.120 10.143 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.529 8.803 -8.837 1.00 0.00 H new ATOM 1638 N ASN A 105 18.088 6.012 -12.409 1.00 0.00 N ATOM 1639 CA ASN A 105 18.298 5.176 -13.578 1.00 0.00 C ATOM 1640 C ASN A 105 18.432 3.716 -13.138 1.00 0.00 C ATOM 1641 O ASN A 105 19.446 3.074 -13.406 1.00 0.00 O ATOM 1642 CB ASN A 105 19.581 5.567 -14.312 1.00 0.00 C ATOM 1643 CG ASN A 105 19.420 6.916 -15.017 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.564 7.720 -14.686 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.286 7.117 -16.006 1.00 0.00 N ATOM 0 H ASN A 105 17.403 6.757 -12.535 1.00 0.00 H new ATOM 0 HA ASN A 105 17.446 5.309 -14.245 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.408 5.619 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.835 4.799 -15.042 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.259 7.986 -16.539 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.978 6.402 -16.231 1.00 0.00 H new ATOM 1652 N THR A 106 17.394 3.236 -12.469 1.00 0.00 N ATOM 1653 CA THR A 106 17.383 1.864 -11.989 1.00 0.00 C ATOM 1654 C THR A 106 16.031 1.209 -12.277 1.00 0.00 C ATOM 1655 O THR A 106 14.987 1.743 -11.906 1.00 0.00 O ATOM 1656 CB THR A 106 17.746 1.880 -10.503 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.164 2.012 -10.493 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.492 0.533 -9.823 1.00 0.00 C ATOM 0 H THR A 106 16.555 3.772 -12.248 1.00 0.00 H new ATOM 0 HA THR A 106 18.121 1.256 -12.512 1.00 0.00 H new ATOM 0 HB THR A 106 17.170 2.656 -9.998 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.413 2.896 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.766 0.599 -8.770 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.436 0.276 -9.907 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.092 -0.238 -10.306 1.00 0.00 H new ATOM 1666 N ARG A 107 16.094 0.062 -12.937 1.00 0.00 N ATOM 1667 CA ARG A 107 14.887 -0.672 -13.280 1.00 0.00 C ATOM 1668 C ARG A 107 14.484 -1.596 -12.129 1.00 0.00 C ATOM 1669 O ARG A 107 15.334 -2.050 -11.366 1.00 0.00 O ATOM 1670 CB ARG A 107 15.090 -1.504 -14.547 1.00 0.00 C ATOM 1671 CG ARG A 107 13.910 -1.339 -15.507 1.00 0.00 C ATOM 1672 CD ARG A 107 14.222 -0.301 -16.587 1.00 0.00 C ATOM 1673 NE ARG A 107 13.174 0.743 -16.603 1.00 0.00 N ATOM 1674 CZ ARG A 107 13.148 1.768 -17.467 1.00 0.00 C ATOM 1675 NH1 ARG A 107 14.112 1.891 -18.389 1.00 0.00 N ATOM 1676 NH2 ARG A 107 12.157 2.668 -17.408 1.00 0.00 N ATOM 0 H ARG A 107 16.962 -0.377 -13.244 1.00 0.00 H new ATOM 0 HA ARG A 107 14.096 0.055 -13.461 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.012 -1.199 -15.043 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.203 -2.555 -14.282 1.00 0.00 H new ATOM 0 HG2 ARG A 107 13.680 -2.297 -15.974 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.024 -1.035 -14.950 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.195 0.152 -16.397 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.280 -0.785 -17.562 1.00 0.00 H new ATOM 0 HE ARG A 107 12.425 0.679 -15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.866 1.205 -18.434 1.00 0.00 H new ATOM 0 HH12 ARG A 107 14.092 2.671 -19.046 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.423 2.573 -16.706 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.137 3.448 -18.065 1.00 0.00 H new ATOM 1690 N TRP A 108 13.186 -1.848 -12.042 1.00 0.00 N ATOM 1691 CA TRP A 108 12.659 -2.710 -10.998 1.00 0.00 C ATOM 1692 C TRP A 108 11.942 -3.883 -11.670 1.00 0.00 C ATOM 1693 O TRP A 108 10.788 -3.758 -12.078 1.00 0.00 O ATOM 1694 CB TRP A 108 11.757 -1.926 -10.043 1.00 0.00 C ATOM 1695 CG TRP A 108 12.519 -1.113 -8.994 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.666 -0.437 -9.147 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.139 -0.917 -7.615 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.051 0.177 -7.973 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.093 -0.123 -7.012 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.025 -1.394 -6.902 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.031 0.263 -5.668 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 10.978 -0.999 -5.560 1.00 0.00 C ATOM 1703 CH2 TRP A 108 11.930 -0.201 -4.938 1.00 0.00 C ATOM 0 H TRP A 108 12.484 -1.470 -12.678 1.00 0.00 H new ATOM 0 HA TRP A 108 13.466 -3.103 -10.379 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.129 -1.251 -10.625 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.091 -2.623 -9.534 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.219 -0.380 -10.073 1.00 0.00 H new ATOM 0 HE1 TRP A 108 14.886 0.747 -7.836 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.266 -2.016 -7.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.791 0.885 -5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.142 -1.339 -4.966 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.821 0.060 -3.896 1.00 0.00 H new ATOM 1714 N ASP A 109 12.655 -4.995 -11.765 1.00 0.00 N ATOM 1715 CA ASP A 109 12.101 -6.189 -12.380 1.00 0.00 C ATOM 1716 C ASP A 109 10.916 -6.683 -11.549 1.00 0.00 C ATOM 1717 O ASP A 109 10.085 -7.447 -12.039 1.00 0.00 O ATOM 1718 CB ASP A 109 13.140 -7.312 -12.437 1.00 0.00 C ATOM 1719 CG ASP A 109 14.190 -7.165 -13.539 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.145 -6.127 -14.233 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.016 -8.096 -13.663 1.00 0.00 O ATOM 0 H ASP A 109 13.612 -5.095 -11.426 1.00 0.00 H new ATOM 0 HA ASP A 109 11.790 -5.933 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.650 -7.364 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.621 -8.260 -12.575 1.00 0.00 H new ATOM 1726 N TYR A 110 10.875 -6.227 -10.306 1.00 0.00 N ATOM 1727 CA TYR A 110 9.805 -6.613 -9.402 1.00 0.00 C ATOM 1728 C TYR A 110 9.659 -5.603 -8.262 1.00 0.00 C ATOM 1729 O TYR A 110 10.655 -5.132 -7.714 1.00 0.00 O ATOM 1730 CB TYR A 110 10.213 -7.967 -8.819 1.00 0.00 C ATOM 1731 CG TYR A 110 10.429 -9.058 -9.870 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.344 -9.690 -10.441 1.00 0.00 C ATOM 1733 CD2 TYR A 110 11.710 -9.410 -10.246 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.547 -10.716 -11.431 1.00 0.00 C ATOM 1735 CE2 TYR A 110 11.913 -10.436 -11.236 1.00 0.00 C ATOM 1736 CZ TYR A 110 10.821 -11.039 -11.779 1.00 0.00 C ATOM 1737 OH TYR A 110 11.013 -12.008 -12.713 1.00 0.00 O ATOM 0 H TYR A 110 11.566 -5.594 -9.903 1.00 0.00 H new ATOM 0 HA TYR A 110 8.853 -6.656 -9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.132 -7.842 -8.246 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.444 -8.297 -8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.342 -9.415 -10.146 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.559 -8.916 -9.798 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.706 -11.218 -11.887 1.00 0.00 H new ATOM 0 HE2 TYR A 110 12.909 -10.720 -11.540 1.00 0.00 H new ATOM 0 HH TYR A 110 11.973 -12.132 -12.863 1.00 0.00 H new ATOM 1747 N LEU A 111 8.410 -5.301 -7.938 1.00 0.00 N ATOM 1748 CA LEU A 111 8.122 -4.356 -6.873 1.00 0.00 C ATOM 1749 C LEU A 111 8.936 -4.727 -5.632 1.00 0.00 C ATOM 1750 O LEU A 111 9.396 -3.851 -4.902 1.00 0.00 O ATOM 1751 CB LEU A 111 6.615 -4.278 -6.619 1.00 0.00 C ATOM 1752 CG LEU A 111 6.094 -2.947 -6.074 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.754 -3.134 -5.359 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.135 -2.277 -5.175 1.00 0.00 C ATOM 0 H LEU A 111 7.587 -5.694 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 111 8.426 -3.351 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.098 -4.492 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.344 -5.066 -5.917 1.00 0.00 H new ATOM 0 HG LEU A 111 5.919 -2.278 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.406 -2.173 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.021 -3.536 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.879 -3.827 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.739 -1.333 -4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.366 -2.932 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.043 -2.088 -5.748 1.00 0.00 H new ATOM 1766 N THR A 112 9.088 -6.028 -5.432 1.00 0.00 N ATOM 1767 CA THR A 112 9.839 -6.527 -4.292 1.00 0.00 C ATOM 1768 C THR A 112 10.962 -7.455 -4.758 1.00 0.00 C ATOM 1769 O THR A 112 10.896 -8.016 -5.850 1.00 0.00 O ATOM 1770 CB THR A 112 8.853 -7.199 -3.334 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.011 -7.969 -4.187 1.00 0.00 O ATOM 1772 CG2 THR A 112 7.901 -6.198 -2.676 1.00 0.00 C ATOM 0 H THR A 112 8.704 -6.752 -6.040 1.00 0.00 H new ATOM 0 HA THR A 112 10.332 -5.715 -3.757 1.00 0.00 H new ATOM 0 HB THR A 112 9.405 -7.736 -2.563 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.342 -8.440 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.223 -6.727 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.477 -5.468 -2.107 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.324 -5.685 -3.445 1.00 0.00 H new