USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 637 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 70 ASN : amide:sc= 1.52 K(o=1.3,f=-8.6!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.206 USER MOD Set 2.1: A 64 SER OG : rot -97:sc= 0.836 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 37 HIS : no HD1:sc= -1.44 K(o=-6.9,f=-4.8) USER MOD Set 3.2: A 48 HIS : no HD1:sc= -5.47! C(o=-6.9!,f=-4.8!) USER MOD Single : A 7 SER OG : rot 32:sc= 0.262 USER MOD Single : A 8 MET CE :methyl 171:sc= -0.481 (180deg=-0.606) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 129:sc= 0.723 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 55 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=-0.32) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0196 (180deg=-0.143) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0757 (180deg=-0.404) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 69 GLN : amide:sc= 0.324 K(o=0.32,f=-6.5!) USER MOD Single : A 76 TYR OH : rot 165:sc= -0.0331 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.652 USER MOD Single : A 92 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.4) USER MOD Single : A 93 SER OG : rot -150:sc= -0.0564 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 156:sc= -0.162 (180deg=-0.676) USER MOD ----------------------------------------------------------------- ATOM 69 N SER A 7 -17.525 -6.323 -4.463 1.00 0.00 N ATOM 70 CA SER A 7 -16.219 -5.801 -4.620 1.00 0.00 C ATOM 71 C SER A 7 -15.946 -4.856 -3.461 1.00 0.00 C ATOM 72 O SER A 7 -16.834 -4.093 -3.039 1.00 0.00 O ATOM 73 CB SER A 7 -16.107 -5.124 -5.980 1.00 0.00 C ATOM 74 OG SER A 7 -16.590 -5.979 -7.011 1.00 0.00 O ATOM 0 HA SER A 7 -15.464 -6.587 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.675 -4.194 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.067 -4.861 -6.176 1.00 0.00 H new ATOM 0 HG SER A 7 -17.313 -6.540 -6.659 1.00 0.00 H new ATOM 80 N MET A 8 -14.757 -4.909 -2.952 1.00 0.00 N ATOM 81 CA MET A 8 -14.432 -4.213 -1.751 1.00 0.00 C ATOM 82 C MET A 8 -13.438 -3.160 -1.976 1.00 0.00 C ATOM 83 O MET A 8 -12.492 -3.364 -2.710 1.00 0.00 O ATOM 84 CB MET A 8 -13.869 -5.134 -0.720 1.00 0.00 C ATOM 85 CG MET A 8 -14.514 -6.453 -0.540 1.00 0.00 C ATOM 86 SD MET A 8 -16.143 -6.457 0.160 1.00 0.00 S ATOM 87 CE MET A 8 -16.271 -8.232 0.358 1.00 0.00 C ATOM 0 H MET A 8 -13.984 -5.437 -3.358 1.00 0.00 H new ATOM 0 HA MET A 8 -15.369 -3.775 -1.405 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.820 -5.306 -0.963 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.894 -4.617 0.239 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.561 -6.944 -1.512 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.870 -7.062 0.094 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.164 -8.470 0.936 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.337 -8.704 -0.622 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.390 -8.604 0.881 1.00 0.00 H new ATOM 97 N LYS A 9 -13.632 -2.032 -1.364 1.00 0.00 N ATOM 98 CA LYS A 9 -12.664 -0.989 -1.447 1.00 0.00 C ATOM 99 C LYS A 9 -11.849 -1.015 -0.161 1.00 0.00 C ATOM 100 O LYS A 9 -12.227 -0.435 0.867 1.00 0.00 O ATOM 101 CB LYS A 9 -13.324 0.357 -1.698 1.00 0.00 C ATOM 102 CG LYS A 9 -12.397 1.438 -2.133 1.00 0.00 C ATOM 103 CD LYS A 9 -13.179 2.684 -2.418 1.00 0.00 C ATOM 104 CE LYS A 9 -12.386 3.650 -3.238 1.00 0.00 C ATOM 105 NZ LYS A 9 -13.149 4.878 -3.514 1.00 0.00 N ATOM 0 H LYS A 9 -14.454 -1.813 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.999 -1.146 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.095 0.231 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.827 0.675 -0.784 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.656 1.631 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.851 1.127 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.098 2.426 -2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.471 3.155 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.465 3.903 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.099 3.180 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.569 5.526 -4.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.016 4.638 -4.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.402 5.339 -2.617 1.00 0.00 H new ATOM 119 N ILE A 10 -10.765 -1.716 -0.243 1.00 0.00 N ATOM 120 CA ILE A 10 -9.910 -2.036 0.854 1.00 0.00 C ATOM 121 C ILE A 10 -8.685 -1.172 0.810 1.00 0.00 C ATOM 122 O ILE A 10 -8.171 -0.891 -0.274 1.00 0.00 O ATOM 123 CB ILE A 10 -9.508 -3.512 0.698 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.736 -4.382 0.870 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.385 -3.914 1.643 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.550 -5.789 0.431 1.00 0.00 C ATOM 0 H ILE A 10 -10.434 -2.102 -1.127 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.416 -1.867 1.804 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.107 -3.658 -0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.028 -4.376 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.560 -3.943 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.141 -4.965 1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.504 -3.304 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.705 -3.761 2.674 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.475 -6.344 0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.290 -5.809 -0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.749 -6.248 1.010 1.00 0.00 H new ATOM 138 N ARG A 11 -8.229 -0.723 1.961 1.00 0.00 N ATOM 139 CA ARG A 11 -7.006 -0.013 2.009 1.00 0.00 C ATOM 140 C ARG A 11 -5.885 -0.927 1.816 1.00 0.00 C ATOM 141 O ARG A 11 -5.850 -2.016 2.379 1.00 0.00 O ATOM 142 CB ARG A 11 -6.795 0.720 3.313 1.00 0.00 C ATOM 143 CG ARG A 11 -7.377 2.096 3.311 1.00 0.00 C ATOM 144 CD ARG A 11 -6.935 2.856 4.530 1.00 0.00 C ATOM 145 NE ARG A 11 -7.517 4.186 4.581 1.00 0.00 N ATOM 146 CZ ARG A 11 -6.915 5.258 5.086 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.647 5.205 5.482 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.571 6.389 5.169 1.00 0.00 N ATOM 0 H ARG A 11 -8.696 -0.845 2.860 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.056 0.725 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.242 0.144 4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.726 0.784 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.066 2.627 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.465 2.037 3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.217 2.302 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.848 2.935 4.534 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.456 4.306 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.123 4.334 5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.198 6.036 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.537 6.443 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.115 7.216 5.555 1.00 0.00 H new ATOM 162 N VAL A 12 -5.014 -0.549 1.034 1.00 0.00 N ATOM 163 CA VAL A 12 -3.895 -1.296 0.814 1.00 0.00 C ATOM 164 C VAL A 12 -2.730 -0.502 1.265 1.00 0.00 C ATOM 165 O VAL A 12 -2.579 0.636 0.779 1.00 0.00 O ATOM 166 CB VAL A 12 -3.732 -1.501 -0.713 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.539 -2.386 -0.989 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.983 -2.121 -1.299 1.00 0.00 C ATOM 0 H VAL A 12 -5.056 0.322 0.505 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.967 -2.251 1.335 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.572 -0.530 -1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.431 -2.526 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.639 -1.917 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.686 -3.354 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.852 -2.258 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.165 -3.087 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.834 -1.464 -1.118 1.00 0.00 H new ATOM 178 N GLU A 13 -1.937 -0.994 2.185 1.00 0.00 N ATOM 179 CA GLU A 13 -0.719 -0.317 2.371 1.00 0.00 C ATOM 180 C GLU A 13 0.238 -0.846 1.349 1.00 0.00 C ATOM 181 O GLU A 13 0.073 -1.964 0.866 1.00 0.00 O ATOM 182 CB GLU A 13 0.055 -0.378 3.702 1.00 0.00 C ATOM 183 CG GLU A 13 -0.330 0.696 4.735 1.00 0.00 C ATOM 184 CD GLU A 13 -1.791 0.722 5.171 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.652 1.274 4.452 1.00 0.00 O ATOM 186 OE2 GLU A 13 -2.085 0.273 6.290 1.00 0.00 O ATOM 0 H GLU A 13 -2.112 -1.809 2.773 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.046 0.721 2.313 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.099 -1.360 4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.120 -0.288 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.289 0.556 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.079 1.673 4.322 1.00 0.00 H new ATOM 193 N LEU A 14 1.219 -0.089 1.030 1.00 0.00 N ATOM 194 CA LEU A 14 2.224 -0.505 0.115 1.00 0.00 C ATOM 195 C LEU A 14 3.587 -0.292 0.704 1.00 0.00 C ATOM 196 O LEU A 14 3.861 0.763 1.286 1.00 0.00 O ATOM 197 CB LEU A 14 2.019 0.273 -1.215 1.00 0.00 C ATOM 198 CG LEU A 14 3.128 0.334 -2.316 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.179 1.377 -2.006 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.778 -1.002 -2.549 1.00 0.00 C ATOM 0 H LEU A 14 1.353 0.852 1.400 1.00 0.00 H new ATOM 0 HA LEU A 14 2.144 -1.572 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.128 -0.141 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.787 1.303 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 14 2.619 0.624 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.929 1.384 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.710 2.359 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.657 1.141 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.540 -0.906 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.240 -1.348 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.025 -1.722 -2.869 1.00 0.00 H new ATOM 212 N ILE A 15 4.429 -1.299 0.612 1.00 0.00 N ATOM 213 CA ILE A 15 5.833 -1.076 0.879 1.00 0.00 C ATOM 214 C ILE A 15 6.613 -1.348 -0.396 1.00 0.00 C ATOM 215 O ILE A 15 6.650 -2.481 -0.890 1.00 0.00 O ATOM 216 CB ILE A 15 6.610 -1.884 2.025 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.167 -1.422 3.439 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.136 -1.777 1.910 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.696 -1.610 3.753 1.00 0.00 C ATOM 0 H ILE A 15 4.176 -2.255 0.362 1.00 0.00 H new ATOM 0 HA ILE A 15 5.799 -0.054 1.256 1.00 0.00 H new ATOM 0 HB ILE A 15 6.340 -2.930 1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.752 -1.966 4.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.413 -0.366 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.602 -2.346 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.457 -2.178 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.434 -0.731 1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.492 -1.256 4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.097 -1.042 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.441 -2.667 3.680 1.00 0.00 H new ATOM 483 N PRO A 33 2.515 4.806 1.870 1.00 0.00 N ATOM 484 CA PRO A 33 1.607 4.972 0.744 1.00 0.00 C ATOM 485 C PRO A 33 0.465 3.960 0.765 1.00 0.00 C ATOM 486 O PRO A 33 0.691 2.746 0.875 1.00 0.00 O ATOM 487 CB PRO A 33 2.480 4.757 -0.503 1.00 0.00 C ATOM 488 CG PRO A 33 3.812 4.311 0.024 1.00 0.00 C ATOM 489 CD PRO A 33 3.914 4.817 1.426 1.00 0.00 C ATOM 0 HA PRO A 33 1.133 5.953 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.046 4.006 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.573 5.676 -1.082 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.893 3.224 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.622 4.706 -0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.541 4.175 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.345 5.818 1.466 1.00 0.00 H new ATOM 497 N SER A 34 -0.739 4.455 0.670 1.00 0.00 N ATOM 498 CA SER A 34 -1.896 3.630 0.771 1.00 0.00 C ATOM 499 C SER A 34 -2.982 4.080 -0.192 1.00 0.00 C ATOM 500 O SER A 34 -2.965 5.219 -0.687 1.00 0.00 O ATOM 501 CB SER A 34 -2.377 3.573 2.228 1.00 0.00 C ATOM 502 OG SER A 34 -2.198 4.830 2.891 1.00 0.00 O ATOM 0 H SER A 34 -0.938 5.444 0.520 1.00 0.00 H new ATOM 0 HA SER A 34 -1.634 2.614 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.430 3.294 2.254 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.829 2.797 2.763 1.00 0.00 H new ATOM 0 HG SER A 34 -2.516 4.760 3.816 1.00 0.00 H new ATOM 508 N VAL A 35 -3.882 3.178 -0.499 1.00 0.00 N ATOM 509 CA VAL A 35 -4.970 3.424 -1.407 1.00 0.00 C ATOM 510 C VAL A 35 -6.122 2.558 -1.027 1.00 0.00 C ATOM 511 O VAL A 35 -5.929 1.493 -0.477 1.00 0.00 O ATOM 512 CB VAL A 35 -4.549 3.124 -2.904 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.068 1.700 -3.098 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.670 3.394 -3.890 1.00 0.00 C ATOM 0 H VAL A 35 -3.876 2.233 -0.115 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.249 4.476 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.726 3.810 -3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.792 1.548 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.200 1.519 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.865 1.007 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.327 3.172 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.526 2.763 -3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.964 4.442 -3.829 1.00 0.00 H new ATOM 524 N SER A 36 -7.295 3.008 -1.280 1.00 0.00 N ATOM 525 CA SER A 36 -8.410 2.203 -1.103 1.00 0.00 C ATOM 526 C SER A 36 -8.748 1.653 -2.487 1.00 0.00 C ATOM 527 O SER A 36 -9.176 2.388 -3.379 1.00 0.00 O ATOM 528 CB SER A 36 -9.504 2.983 -0.494 1.00 0.00 C ATOM 529 OG SER A 36 -9.064 3.630 0.699 1.00 0.00 O ATOM 0 H SER A 36 -7.493 3.950 -1.616 1.00 0.00 H new ATOM 0 HA SER A 36 -8.234 1.375 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.865 3.727 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.343 2.325 -0.268 1.00 0.00 H new ATOM 0 HG SER A 36 -9.804 4.143 1.085 1.00 0.00 H new ATOM 535 N HIS A 37 -8.496 0.390 -2.670 1.00 0.00 N ATOM 536 CA HIS A 37 -8.569 -0.222 -3.935 1.00 0.00 C ATOM 537 C HIS A 37 -9.744 -1.179 -3.986 1.00 0.00 C ATOM 538 O HIS A 37 -10.080 -1.804 -2.996 1.00 0.00 O ATOM 539 CB HIS A 37 -7.228 -0.930 -4.202 1.00 0.00 C ATOM 540 CG HIS A 37 -7.149 -1.663 -5.493 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.620 -1.141 -6.642 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.551 -2.887 -5.795 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.712 -2.022 -7.600 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.279 -3.102 -7.119 1.00 0.00 N ATOM 0 H HIS A 37 -8.229 -0.245 -1.918 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.736 0.519 -4.717 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.431 -0.187 -4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -7.038 -1.633 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.012 -3.591 -5.118 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.377 -1.885 -8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.482 -3.954 -7.641 1.00 0.00 H new ATOM 553 N ILE A 38 -10.336 -1.265 -5.142 1.00 0.00 N ATOM 554 CA ILE A 38 -11.525 -2.084 -5.436 1.00 0.00 C ATOM 555 C ILE A 38 -10.981 -3.516 -5.737 1.00 0.00 C ATOM 556 O ILE A 38 -10.275 -3.743 -6.737 1.00 0.00 O ATOM 557 CB ILE A 38 -12.116 -1.553 -6.682 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.496 -0.060 -6.534 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.350 -2.399 -6.944 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.537 0.225 -5.461 1.00 0.00 C ATOM 0 H ILE A 38 -10.004 -0.750 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.256 -2.082 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.407 -1.605 -7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.595 0.510 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.871 0.303 -7.491 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.838 -2.058 -7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.058 -3.443 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.041 -2.304 -6.106 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.742 1.295 -5.428 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.456 -0.313 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.160 -0.102 -4.492 1.00 0.00 H new ATOM 572 N PHE A 39 -11.258 -4.407 -4.891 1.00 0.00 N ATOM 573 CA PHE A 39 -10.880 -5.761 -5.055 1.00 0.00 C ATOM 574 C PHE A 39 -12.110 -6.590 -5.258 1.00 0.00 C ATOM 575 O PHE A 39 -13.155 -6.297 -4.698 1.00 0.00 O ATOM 576 CB PHE A 39 -10.133 -6.271 -3.859 1.00 0.00 C ATOM 577 CG PHE A 39 -8.765 -5.724 -3.644 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.667 -6.335 -4.212 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.572 -4.641 -2.834 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.398 -5.871 -3.970 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.313 -4.161 -2.592 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.219 -4.784 -3.157 1.00 0.00 C ATOM 0 H PHE A 39 -11.772 -4.223 -4.029 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.222 -5.831 -5.921 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.728 -6.060 -2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.057 -7.355 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.807 -7.190 -4.856 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.424 -4.157 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.546 -6.360 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.176 -3.296 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.224 -4.415 -2.958 1.00 0.00 H new ATOM 592 N ASP A 40 -11.974 -7.595 -6.054 1.00 0.00 N ATOM 593 CA ASP A 40 -13.024 -8.505 -6.388 1.00 0.00 C ATOM 594 C ASP A 40 -12.374 -9.859 -6.627 1.00 0.00 C ATOM 595 O ASP A 40 -11.133 -9.971 -6.518 1.00 0.00 O ATOM 596 CB ASP A 40 -13.775 -8.037 -7.655 1.00 0.00 C ATOM 597 CG ASP A 40 -12.921 -8.063 -8.901 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.150 -7.121 -9.140 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.994 -9.030 -9.656 1.00 0.00 O ATOM 0 H ASP A 40 -11.090 -7.817 -6.512 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.757 -8.558 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.647 -8.673 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.143 -7.023 -7.497 1.00 0.00 H new ATOM 604 N GLY A 41 -13.151 -10.818 -7.048 1.00 0.00 N ATOM 605 CA GLY A 41 -12.656 -12.182 -7.173 1.00 0.00 C ATOM 606 C GLY A 41 -12.531 -12.628 -8.615 1.00 0.00 C ATOM 607 O GLY A 41 -11.870 -13.620 -8.920 1.00 0.00 O ATOM 0 H GLY A 41 -14.128 -10.692 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.683 -12.257 -6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.328 -12.858 -6.645 1.00 0.00 H new ATOM 611 N GLU A 42 -13.134 -11.871 -9.500 1.00 0.00 N ATOM 612 CA GLU A 42 -13.151 -12.163 -10.906 1.00 0.00 C ATOM 613 C GLU A 42 -11.881 -11.695 -11.581 1.00 0.00 C ATOM 614 O GLU A 42 -11.505 -12.166 -12.660 1.00 0.00 O ATOM 615 CB GLU A 42 -14.376 -11.501 -11.504 1.00 0.00 C ATOM 616 CG GLU A 42 -15.696 -12.048 -10.994 1.00 0.00 C ATOM 617 CD GLU A 42 -16.884 -11.311 -11.561 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.079 -11.317 -12.802 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.640 -10.702 -10.781 1.00 0.00 O ATOM 0 H GLU A 42 -13.636 -11.018 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.200 -13.241 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.335 -10.432 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.343 -11.616 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.771 -13.105 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.717 -11.982 -9.906 1.00 0.00 H new ATOM 626 N THR A 43 -11.227 -10.762 -10.947 1.00 0.00 N ATOM 627 CA THR A 43 -9.995 -10.273 -11.361 1.00 0.00 C ATOM 628 C THR A 43 -8.878 -11.002 -10.608 1.00 0.00 C ATOM 629 O THR A 43 -8.917 -11.083 -9.362 1.00 0.00 O ATOM 630 CB THR A 43 -9.913 -8.813 -11.011 1.00 0.00 C ATOM 631 OG1 THR A 43 -11.033 -8.077 -11.544 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.620 -8.228 -11.472 1.00 0.00 C ATOM 0 H THR A 43 -11.575 -10.321 -10.096 1.00 0.00 H new ATOM 0 HA THR A 43 -9.886 -10.423 -12.435 1.00 0.00 H new ATOM 0 HB THR A 43 -9.955 -8.731 -9.925 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.444 -7.545 -10.831 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.584 -7.171 -11.208 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.793 -8.751 -10.992 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.538 -8.334 -12.554 1.00 0.00 H new ATOM 640 N ALA A 44 -7.924 -11.546 -11.349 1.00 0.00 N ATOM 641 CA ALA A 44 -6.744 -12.164 -10.787 1.00 0.00 C ATOM 642 C ALA A 44 -6.032 -11.201 -9.861 1.00 0.00 C ATOM 643 O ALA A 44 -6.071 -9.965 -10.052 1.00 0.00 O ATOM 644 CB ALA A 44 -5.786 -12.596 -11.885 1.00 0.00 C ATOM 0 H ALA A 44 -7.953 -11.568 -12.368 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.064 -13.041 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.906 -13.058 -11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.281 -13.314 -12.538 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.483 -11.725 -12.467 1.00 0.00 H new ATOM 650 N VAL A 45 -5.390 -11.758 -8.873 1.00 0.00 N ATOM 651 CA VAL A 45 -4.624 -11.016 -7.894 1.00 0.00 C ATOM 652 C VAL A 45 -3.617 -10.137 -8.581 1.00 0.00 C ATOM 653 O VAL A 45 -3.585 -8.938 -8.356 1.00 0.00 O ATOM 654 CB VAL A 45 -3.801 -11.944 -6.991 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.957 -11.109 -6.056 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.740 -12.788 -6.183 1.00 0.00 C ATOM 0 H VAL A 45 -5.381 -12.766 -8.716 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.348 -10.447 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.156 -12.579 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.370 -11.764 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.286 -10.477 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.605 -10.483 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.167 -13.453 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.373 -12.145 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.363 -13.381 -6.852 1.00 0.00 H new ATOM 666 N LYS A 46 -2.819 -10.762 -9.432 1.00 0.00 N ATOM 667 CA LYS A 46 -1.729 -10.085 -10.153 1.00 0.00 C ATOM 668 C LYS A 46 -2.222 -8.867 -10.924 1.00 0.00 C ATOM 669 O LYS A 46 -1.534 -7.893 -11.049 1.00 0.00 O ATOM 670 CB LYS A 46 -0.956 -11.047 -11.081 1.00 0.00 C ATOM 671 CG LYS A 46 -1.803 -11.738 -12.140 1.00 0.00 C ATOM 672 CD LYS A 46 -0.950 -12.603 -13.059 1.00 0.00 C ATOM 673 CE LYS A 46 -1.812 -13.346 -14.075 1.00 0.00 C ATOM 674 NZ LYS A 46 -1.009 -14.167 -15.003 1.00 0.00 N ATOM 0 H LYS A 46 -2.901 -11.755 -9.649 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.033 -9.735 -9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.163 -10.489 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.474 -11.809 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.560 -12.355 -11.656 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.332 -10.989 -12.730 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.225 -11.978 -13.581 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.384 -13.320 -12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.520 -13.986 -13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.398 -12.626 -14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.640 -14.651 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.351 -13.555 -15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.469 -14.873 -14.463 1.00 0.00 H new ATOM 688 N ASP A 47 -3.425 -8.923 -11.387 1.00 0.00 N ATOM 689 CA ASP A 47 -4.000 -7.835 -12.116 1.00 0.00 C ATOM 690 C ASP A 47 -4.437 -6.726 -11.210 1.00 0.00 C ATOM 691 O ASP A 47 -4.348 -5.559 -11.565 1.00 0.00 O ATOM 692 CB ASP A 47 -5.104 -8.307 -13.008 1.00 0.00 C ATOM 693 CG ASP A 47 -4.564 -8.995 -14.224 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.309 -10.214 -14.174 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.347 -8.319 -15.251 1.00 0.00 O ATOM 0 H ASP A 47 -4.043 -9.726 -11.272 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.223 -7.420 -12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.752 -8.990 -12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.718 -7.459 -13.310 1.00 0.00 H new ATOM 700 N HIS A 48 -4.901 -7.084 -10.031 1.00 0.00 N ATOM 701 CA HIS A 48 -5.190 -6.105 -8.997 1.00 0.00 C ATOM 702 C HIS A 48 -3.865 -5.441 -8.610 1.00 0.00 C ATOM 703 O HIS A 48 -3.793 -4.229 -8.413 1.00 0.00 O ATOM 704 CB HIS A 48 -5.817 -6.745 -7.753 1.00 0.00 C ATOM 705 CG HIS A 48 -7.187 -7.321 -7.873 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.320 -6.572 -8.088 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.613 -8.593 -7.719 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.367 -7.347 -8.044 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.970 -8.578 -7.822 1.00 0.00 N ATOM 0 H HIS A 48 -5.088 -8.050 -9.761 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.909 -5.383 -9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.150 -7.538 -7.415 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.840 -5.991 -6.966 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.993 -9.460 -7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.391 -7.029 -8.169 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.580 -9.392 -7.740 1.00 0.00 H new ATOM 718 N ILE A 49 -2.847 -6.261 -8.541 1.00 0.00 N ATOM 719 CA ILE A 49 -1.511 -5.850 -8.215 1.00 0.00 C ATOM 720 C ILE A 49 -0.919 -4.953 -9.287 1.00 0.00 C ATOM 721 O ILE A 49 -0.350 -3.941 -8.950 1.00 0.00 O ATOM 722 CB ILE A 49 -0.631 -7.052 -7.840 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.167 -7.666 -6.551 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.833 -6.636 -7.676 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.316 -8.765 -6.016 1.00 0.00 C ATOM 0 H ILE A 49 -2.931 -7.262 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.553 -5.229 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.667 -7.790 -8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.255 -6.885 -5.796 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.171 -8.050 -6.731 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.431 -7.508 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.199 -6.216 -8.613 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.912 -5.888 -6.887 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.758 -9.154 -5.099 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.248 -9.565 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.682 -8.382 -5.803 1.00 0.00 H new ATOM 737 N LYS A 50 -1.098 -5.284 -10.574 1.00 0.00 N ATOM 738 CA LYS A 50 -0.638 -4.400 -11.648 1.00 0.00 C ATOM 739 C LYS A 50 -1.258 -3.009 -11.525 1.00 0.00 C ATOM 740 O LYS A 50 -0.596 -2.004 -11.781 1.00 0.00 O ATOM 741 CB LYS A 50 -0.891 -5.002 -13.044 1.00 0.00 C ATOM 742 CG LYS A 50 -0.101 -6.254 -13.319 1.00 0.00 C ATOM 743 CD LYS A 50 -0.272 -6.743 -14.742 1.00 0.00 C ATOM 744 CE LYS A 50 0.558 -7.994 -14.971 1.00 0.00 C ATOM 745 NZ LYS A 50 0.381 -8.558 -16.321 1.00 0.00 N ATOM 0 H LYS A 50 -1.550 -6.142 -10.890 1.00 0.00 H new ATOM 0 HA LYS A 50 0.441 -4.298 -11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.953 -5.224 -13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.647 -4.256 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.955 -6.064 -13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.414 -7.037 -12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.323 -6.955 -14.937 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.032 -5.964 -15.441 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.611 -7.759 -14.816 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.286 -8.746 -14.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.970 -9.409 -16.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.618 -8.809 -16.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.666 -7.854 -17.031 1.00 0.00 H new ATOM 759 N VAL A 51 -2.506 -2.954 -11.076 1.00 0.00 N ATOM 760 CA VAL A 51 -3.174 -1.689 -10.850 1.00 0.00 C ATOM 761 C VAL A 51 -2.562 -0.971 -9.667 1.00 0.00 C ATOM 762 O VAL A 51 -2.181 0.187 -9.787 1.00 0.00 O ATOM 763 CB VAL A 51 -4.677 -1.811 -10.616 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.279 -0.446 -10.372 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.368 -2.527 -11.734 1.00 0.00 C ATOM 0 H VAL A 51 -3.072 -3.775 -10.862 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.033 -1.123 -11.771 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.828 -2.420 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.352 -0.546 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.816 0.004 -9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.103 0.190 -11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.435 -2.589 -11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.214 -1.982 -12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.958 -3.533 -11.830 1.00 0.00 H new ATOM 775 N LEU A 52 -2.484 -1.638 -8.540 1.00 0.00 N ATOM 776 CA LEU A 52 -1.879 -1.078 -7.344 1.00 0.00 C ATOM 777 C LEU A 52 -0.482 -0.597 -7.618 1.00 0.00 C ATOM 778 O LEU A 52 -0.162 0.524 -7.272 1.00 0.00 O ATOM 779 CB LEU A 52 -1.861 -2.134 -6.277 1.00 0.00 C ATOM 780 CG LEU A 52 -3.224 -2.526 -5.797 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.183 -3.900 -5.225 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.709 -1.536 -4.778 1.00 0.00 C ATOM 0 H LEU A 52 -2.838 -2.587 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.465 -0.220 -7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.352 -3.018 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.277 -1.773 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.919 -2.524 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.178 -4.179 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.855 -4.603 -5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.486 -3.925 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.701 -1.826 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.021 -1.517 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.757 -0.545 -5.228 1.00 0.00 H new ATOM 794 N LEU A 53 0.334 -1.426 -8.282 1.00 0.00 N ATOM 795 CA LEU A 53 1.678 -1.052 -8.638 1.00 0.00 C ATOM 796 C LEU A 53 1.650 0.219 -9.435 1.00 0.00 C ATOM 797 O LEU A 53 2.305 1.160 -9.087 1.00 0.00 O ATOM 798 CB LEU A 53 2.365 -2.173 -9.412 1.00 0.00 C ATOM 799 CG LEU A 53 2.560 -3.466 -8.658 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.264 -4.447 -9.536 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.336 -3.235 -7.383 1.00 0.00 C ATOM 0 H LEU A 53 0.069 -2.365 -8.579 1.00 0.00 H new ATOM 0 HA LEU A 53 2.255 -0.883 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.781 -2.381 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.340 -1.816 -9.743 1.00 0.00 H new ATOM 0 HG LEU A 53 1.585 -3.867 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.407 -5.382 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.666 -4.632 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.234 -4.044 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.463 -4.182 -6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.314 -2.819 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.791 -2.538 -6.747 1.00 0.00 H new ATOM 813 N THR A 54 0.832 0.255 -10.452 1.00 0.00 N ATOM 814 CA THR A 54 0.661 1.398 -11.250 1.00 0.00 C ATOM 815 C THR A 54 0.195 2.636 -10.475 1.00 0.00 C ATOM 816 O THR A 54 0.695 3.746 -10.694 1.00 0.00 O ATOM 817 CB THR A 54 -0.246 1.052 -12.429 1.00 0.00 C ATOM 818 OG1 THR A 54 0.378 0.083 -13.269 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.679 2.229 -13.214 1.00 0.00 C ATOM 0 H THR A 54 0.260 -0.539 -10.740 1.00 0.00 H new ATOM 0 HA THR A 54 1.639 1.692 -11.630 1.00 0.00 H new ATOM 0 HB THR A 54 -1.155 0.630 -12.001 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.151 -0.817 -12.955 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.320 1.904 -14.034 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.232 2.912 -12.570 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.196 2.739 -13.618 1.00 0.00 H new ATOM 827 N HIS A 55 -0.692 2.440 -9.538 1.00 0.00 N ATOM 828 CA HIS A 55 -1.192 3.506 -8.710 1.00 0.00 C ATOM 829 C HIS A 55 -0.133 3.983 -7.695 1.00 0.00 C ATOM 830 O HIS A 55 -0.148 5.125 -7.265 1.00 0.00 O ATOM 831 CB HIS A 55 -2.510 3.053 -8.059 1.00 0.00 C ATOM 832 CG HIS A 55 -3.209 4.099 -7.251 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.179 4.918 -7.763 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.076 4.443 -5.964 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.611 5.729 -6.831 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.958 5.464 -5.724 1.00 0.00 N ATOM 0 H HIS A 55 -1.093 1.527 -9.325 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.406 4.383 -9.321 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.185 2.709 -8.843 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.305 2.196 -7.417 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.400 3.999 -5.249 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.373 6.485 -6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -4.086 5.940 -4.831 1.00 0.00 H new ATOM 845 N PHE A 56 0.756 3.095 -7.316 1.00 0.00 N ATOM 846 CA PHE A 56 1.877 3.428 -6.459 1.00 0.00 C ATOM 847 C PHE A 56 3.109 3.814 -7.273 1.00 0.00 C ATOM 848 O PHE A 56 4.193 4.048 -6.728 1.00 0.00 O ATOM 849 CB PHE A 56 2.180 2.281 -5.530 1.00 0.00 C ATOM 850 CG PHE A 56 1.140 2.094 -4.484 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.915 3.086 -3.562 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.406 0.934 -4.408 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.030 2.933 -2.574 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.547 0.767 -3.426 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.761 1.773 -2.506 1.00 0.00 C ATOM 0 H PHE A 56 0.724 2.114 -7.594 1.00 0.00 H new ATOM 0 HA PHE A 56 1.600 4.296 -5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.272 1.364 -6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.144 2.453 -5.051 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.488 4.000 -3.613 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.578 0.145 -5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.196 3.722 -1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.123 -0.146 -3.377 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.504 1.648 -1.732 1.00 0.00 H new ATOM 865 N LYS A 57 2.906 3.859 -8.567 1.00 0.00 N ATOM 866 CA LYS A 57 3.900 4.264 -9.575 1.00 0.00 C ATOM 867 C LYS A 57 5.069 3.277 -9.678 1.00 0.00 C ATOM 868 O LYS A 57 6.219 3.657 -9.922 1.00 0.00 O ATOM 869 CB LYS A 57 4.374 5.700 -9.333 1.00 0.00 C ATOM 870 CG LYS A 57 3.261 6.736 -9.483 1.00 0.00 C ATOM 871 CD LYS A 57 3.751 8.158 -9.227 1.00 0.00 C ATOM 872 CE LYS A 57 4.811 8.597 -10.236 1.00 0.00 C ATOM 873 NZ LYS A 57 4.318 8.575 -11.628 1.00 0.00 N ATOM 0 H LYS A 57 2.009 3.606 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 57 3.404 4.240 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.796 5.772 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.176 5.934 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.844 6.674 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.455 6.502 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.905 8.844 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.163 8.222 -8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.146 9.605 -9.990 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.679 7.943 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.012 9.038 -12.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.183 7.590 -11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.411 9.082 -11.683 1.00 0.00 H new ATOM 887 N ILE A 58 4.750 2.024 -9.549 1.00 0.00 N ATOM 888 CA ILE A 58 5.654 0.943 -9.670 1.00 0.00 C ATOM 889 C ILE A 58 5.367 0.226 -10.981 1.00 0.00 C ATOM 890 O ILE A 58 4.195 0.005 -11.302 1.00 0.00 O ATOM 891 CB ILE A 58 5.412 -0.040 -8.527 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.598 0.697 -7.220 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.362 -1.248 -8.625 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.183 -0.096 -6.059 1.00 0.00 C ATOM 0 H ILE A 58 3.797 1.723 -9.345 1.00 0.00 H new ATOM 0 HA ILE A 58 6.681 1.308 -9.641 1.00 0.00 H new ATOM 0 HB ILE A 58 4.397 -0.432 -8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.647 0.974 -7.110 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.025 1.624 -7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.168 -1.932 -7.799 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.197 -1.765 -9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.395 -0.903 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.339 0.483 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.127 -0.351 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.774 -1.011 -6.013 1.00 0.00 H new ATOM 906 N PRO A 59 6.381 -0.083 -11.792 1.00 0.00 N ATOM 907 CA PRO A 59 6.199 -0.898 -12.996 1.00 0.00 C ATOM 908 C PRO A 59 5.529 -2.205 -12.662 1.00 0.00 C ATOM 909 O PRO A 59 5.904 -2.901 -11.701 1.00 0.00 O ATOM 910 CB PRO A 59 7.622 -1.155 -13.464 1.00 0.00 C ATOM 911 CG PRO A 59 8.377 0.004 -12.971 1.00 0.00 C ATOM 912 CD PRO A 59 7.779 0.355 -11.641 1.00 0.00 C ATOM 0 HA PRO A 59 5.574 -0.410 -13.743 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.013 -2.088 -13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.676 -1.233 -14.550 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.436 -0.234 -12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.303 0.841 -13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.280 -0.162 -10.822 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.849 1.423 -11.434 1.00 0.00 H new ATOM 920 N VAL A 60 4.552 -2.542 -13.460 1.00 0.00 N ATOM 921 CA VAL A 60 3.782 -3.741 -13.301 1.00 0.00 C ATOM 922 C VAL A 60 4.603 -4.987 -13.436 1.00 0.00 C ATOM 923 O VAL A 60 4.144 -6.048 -13.125 1.00 0.00 O ATOM 924 CB VAL A 60 2.633 -3.803 -14.332 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.660 -2.687 -14.104 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.149 -3.761 -15.747 1.00 0.00 C ATOM 0 H VAL A 60 4.264 -1.975 -14.258 1.00 0.00 H new ATOM 0 HA VAL A 60 3.384 -3.700 -12.287 1.00 0.00 H new ATOM 0 HB VAL A 60 2.122 -4.755 -14.192 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.858 -2.747 -14.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.240 -2.770 -13.102 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.173 -1.731 -14.204 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.310 -3.807 -16.442 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.701 -2.835 -15.906 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.809 -4.611 -15.919 1.00 0.00 H new ATOM 936 N ASP A 61 5.833 -4.843 -13.882 1.00 0.00 N ATOM 937 CA ASP A 61 6.718 -5.989 -14.065 1.00 0.00 C ATOM 938 C ASP A 61 7.070 -6.614 -12.713 1.00 0.00 C ATOM 939 O ASP A 61 7.393 -7.799 -12.626 1.00 0.00 O ATOM 940 CB ASP A 61 7.970 -5.596 -14.835 1.00 0.00 C ATOM 941 CG ASP A 61 8.946 -6.732 -15.021 1.00 0.00 C ATOM 942 OD1 ASP A 61 8.785 -7.528 -15.980 1.00 0.00 O ATOM 943 OD2 ASP A 61 9.903 -6.844 -14.236 1.00 0.00 O ATOM 0 H ASP A 61 6.249 -3.945 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 61 6.192 -6.738 -14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.680 -5.214 -15.814 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.469 -4.782 -14.310 1.00 0.00 H new ATOM 948 N LYS A 62 6.920 -5.836 -11.649 1.00 0.00 N ATOM 949 CA LYS A 62 7.244 -6.314 -10.341 1.00 0.00 C ATOM 950 C LYS A 62 6.115 -7.130 -9.728 1.00 0.00 C ATOM 951 O LYS A 62 6.263 -7.652 -8.640 1.00 0.00 O ATOM 952 CB LYS A 62 7.652 -5.204 -9.394 1.00 0.00 C ATOM 953 CG LYS A 62 9.004 -4.577 -9.640 1.00 0.00 C ATOM 954 CD LYS A 62 8.918 -3.406 -10.574 1.00 0.00 C ATOM 955 CE LYS A 62 10.278 -2.775 -10.797 1.00 0.00 C ATOM 956 NZ LYS A 62 10.915 -2.357 -9.529 1.00 0.00 N ATOM 0 H LYS A 62 6.576 -4.876 -11.681 1.00 0.00 H new ATOM 0 HA LYS A 62 8.105 -6.968 -10.480 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.897 -4.419 -9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.638 -5.599 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.432 -4.253 -8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.680 -5.324 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.505 -3.730 -11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.233 -2.663 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.926 -3.485 -11.310 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.172 -1.909 -11.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.685 -1.688 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.208 -1.898 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.301 -3.191 -9.043 1.00 0.00 H new ATOM 970 N VAL A 63 4.981 -7.206 -10.434 1.00 0.00 N ATOM 971 CA VAL A 63 3.771 -8.012 -10.072 1.00 0.00 C ATOM 972 C VAL A 63 4.173 -9.448 -9.680 1.00 0.00 C ATOM 973 O VAL A 63 3.537 -10.098 -8.859 1.00 0.00 O ATOM 974 CB VAL A 63 2.884 -8.006 -11.337 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.295 -8.946 -12.460 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.469 -8.229 -10.958 1.00 0.00 C ATOM 0 H VAL A 63 4.859 -6.695 -11.308 1.00 0.00 H new ATOM 0 HA VAL A 63 3.244 -7.597 -9.213 1.00 0.00 H new ATOM 0 HB VAL A 63 3.026 -7.015 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.595 -8.849 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.299 -8.690 -12.800 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.286 -9.973 -12.096 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.847 -8.224 -11.853 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.374 -9.192 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.143 -7.435 -10.286 1.00 0.00 H new ATOM 986 N SER A 64 5.256 -9.870 -10.280 1.00 0.00 N ATOM 987 CA SER A 64 5.926 -11.116 -10.027 1.00 0.00 C ATOM 988 C SER A 64 6.284 -11.277 -8.530 1.00 0.00 C ATOM 989 O SER A 64 6.051 -12.325 -7.909 1.00 0.00 O ATOM 990 CB SER A 64 7.250 -11.070 -10.810 1.00 0.00 C ATOM 991 OG SER A 64 7.879 -9.797 -10.651 1.00 0.00 O ATOM 0 H SER A 64 5.720 -9.318 -11.001 1.00 0.00 H new ATOM 0 HA SER A 64 5.276 -11.940 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.916 -11.858 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.062 -11.260 -11.867 1.00 0.00 H new ATOM 0 HG SER A 64 7.666 -9.229 -11.420 1.00 0.00 H new ATOM 997 N SER A 65 6.843 -10.229 -7.979 1.00 0.00 N ATOM 998 CA SER A 65 7.382 -10.207 -6.665 1.00 0.00 C ATOM 999 C SER A 65 6.490 -9.460 -5.674 1.00 0.00 C ATOM 1000 O SER A 65 6.890 -9.222 -4.547 1.00 0.00 O ATOM 1001 CB SER A 65 8.761 -9.560 -6.721 1.00 0.00 C ATOM 1002 OG SER A 65 9.567 -10.214 -7.702 1.00 0.00 O ATOM 0 H SER A 65 6.933 -9.336 -8.464 1.00 0.00 H new ATOM 0 HA SER A 65 7.449 -11.234 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.666 -8.502 -6.963 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.241 -9.621 -5.744 1.00 0.00 H new ATOM 0 HG SER A 65 10.451 -9.792 -7.734 1.00 0.00 H new ATOM 1008 N TYR A 66 5.290 -9.125 -6.065 1.00 0.00 N ATOM 1009 CA TYR A 66 4.396 -8.424 -5.175 1.00 0.00 C ATOM 1010 C TYR A 66 3.279 -9.299 -4.728 1.00 0.00 C ATOM 1011 O TYR A 66 2.794 -10.143 -5.483 1.00 0.00 O ATOM 1012 CB TYR A 66 3.878 -7.118 -5.758 1.00 0.00 C ATOM 1013 CG TYR A 66 4.803 -5.949 -5.553 1.00 0.00 C ATOM 1014 CD1 TYR A 66 5.828 -5.678 -6.425 1.00 0.00 C ATOM 1015 CD2 TYR A 66 4.636 -5.113 -4.473 1.00 0.00 C ATOM 1016 CE1 TYR A 66 6.665 -4.605 -6.231 1.00 0.00 C ATOM 1017 CE2 TYR A 66 5.459 -4.038 -4.264 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.475 -3.786 -5.149 1.00 0.00 C ATOM 1019 OH TYR A 66 7.313 -2.713 -4.949 1.00 0.00 O ATOM 0 H TYR A 66 4.907 -9.324 -6.989 1.00 0.00 H new ATOM 0 HA TYR A 66 4.987 -8.154 -4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.708 -7.251 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.913 -6.888 -5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.980 -6.320 -7.280 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.837 -5.309 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 66 7.467 -4.409 -6.927 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.309 -3.395 -3.410 1.00 0.00 H new ATOM 0 HH TYR A 66 7.042 -2.233 -4.139 1.00 0.00 H new ATOM 1029 N ALA A 67 2.898 -9.121 -3.494 1.00 0.00 N ATOM 1030 CA ALA A 67 1.865 -9.887 -2.903 1.00 0.00 C ATOM 1031 C ALA A 67 1.151 -9.074 -1.861 1.00 0.00 C ATOM 1032 O ALA A 67 1.723 -8.146 -1.277 1.00 0.00 O ATOM 1033 CB ALA A 67 2.431 -11.136 -2.266 1.00 0.00 C ATOM 0 H ALA A 67 3.310 -8.426 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 67 1.161 -10.174 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.623 -11.713 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.928 -11.739 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.150 -10.858 -1.496 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.089 -9.404 -1.673 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.910 -8.824 -0.655 1.00 0.00 C ATOM 1041 C LEU A 68 -0.696 -9.611 0.627 1.00 0.00 C ATOM 1042 O LEU A 68 -0.768 -10.831 0.611 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.371 -8.949 -1.097 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.720 -8.278 -2.435 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.127 -8.634 -2.846 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.564 -6.761 -2.346 1.00 0.00 C ATOM 0 H LEU A 68 -0.571 -10.103 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.660 -7.776 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.622 -10.008 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.005 -8.521 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.026 -8.647 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.362 -8.152 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.211 -9.715 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.826 -8.292 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.817 -6.312 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.230 -6.371 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.533 -6.516 -2.092 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.392 -8.954 1.697 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.161 -9.633 2.964 1.00 0.00 C ATOM 1060 C GLN A 69 -1.260 -9.236 3.951 1.00 0.00 C ATOM 1061 O GLN A 69 -1.764 -8.103 3.905 1.00 0.00 O ATOM 1062 CB GLN A 69 1.221 -9.230 3.539 1.00 0.00 C ATOM 1063 CG GLN A 69 1.662 -10.017 4.774 1.00 0.00 C ATOM 1064 CD GLN A 69 2.855 -9.404 5.505 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.062 -8.192 5.511 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.643 -10.242 6.126 1.00 0.00 N ATOM 0 H GLN A 69 -0.293 -7.940 1.736 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.177 -10.711 2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.973 -9.355 2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.197 -8.170 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.823 -10.089 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.916 -11.034 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.444 -11.242 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.457 -9.896 6.634 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.664 -10.177 4.783 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.599 -9.927 5.863 1.00 0.00 C ATOM 1077 C ASN A 70 -1.865 -9.174 6.972 1.00 0.00 C ATOM 1078 O ASN A 70 -0.770 -9.580 7.371 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.115 -11.245 6.445 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.184 -11.040 7.523 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.870 -10.852 8.706 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.432 -11.097 7.138 1.00 0.00 N ATOM 0 H ASN A 70 -1.349 -11.146 4.727 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.440 -9.350 5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.528 -11.855 5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.279 -11.801 6.870 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.182 -10.985 7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.656 -11.253 6.155 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.453 -8.103 7.499 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.818 -7.271 8.530 1.00 0.00 C ATOM 1091 C PRO A 71 -1.614 -7.951 9.893 1.00 0.00 C ATOM 1092 O PRO A 71 -0.762 -7.514 10.677 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.779 -6.103 8.682 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.094 -6.613 8.212 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.787 -7.585 7.121 1.00 0.00 C ATOM 0 HA PRO A 71 -0.806 -7.010 8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.834 -5.771 9.719 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.455 -5.247 8.090 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.639 -7.095 9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.721 -5.800 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.529 -8.382 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.770 -7.102 6.144 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.360 -8.998 10.191 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.250 -9.602 11.494 1.00 0.00 C ATOM 1105 C PHE A 72 -1.534 -10.917 11.466 1.00 0.00 C ATOM 1106 O PHE A 72 -0.624 -11.162 12.255 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.620 -9.777 12.145 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.314 -8.477 12.422 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -3.981 -7.722 13.535 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.296 -8.005 11.568 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.613 -6.521 13.788 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.930 -6.807 11.817 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.589 -6.064 12.928 1.00 0.00 C ATOM 0 H PHE A 72 -3.032 -9.436 9.561 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.654 -8.912 12.092 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.249 -10.385 11.495 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.503 -10.325 13.080 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.218 -8.077 14.212 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.568 -8.582 10.697 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.343 -5.941 14.658 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.694 -6.450 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.086 -5.125 13.124 1.00 0.00 H new ATOM 1123 N THR A 73 -1.898 -11.739 10.539 1.00 0.00 N ATOM 1124 CA THR A 73 -1.379 -13.085 10.472 1.00 0.00 C ATOM 1125 C THR A 73 -0.081 -13.103 9.704 1.00 0.00 C ATOM 1126 O THR A 73 0.736 -14.032 9.852 1.00 0.00 O ATOM 1127 CB THR A 73 -2.387 -13.989 9.798 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.520 -13.584 8.424 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.728 -13.865 10.478 1.00 0.00 C ATOM 0 H THR A 73 -2.563 -11.507 9.801 1.00 0.00 H new ATOM 0 HA THR A 73 -1.195 -13.444 11.484 1.00 0.00 H new ATOM 0 HB THR A 73 -2.048 -15.023 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.170 -14.163 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.447 -14.519 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.633 -14.152 11.525 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.074 -12.833 10.415 1.00 0.00 H new ATOM 1137 N LEU A 74 0.112 -12.054 8.911 1.00 0.00 N ATOM 1138 CA LEU A 74 1.270 -11.861 8.069 1.00 0.00 C ATOM 1139 C LEU A 74 1.302 -12.845 6.923 1.00 0.00 C ATOM 1140 O LEU A 74 2.323 -12.988 6.253 1.00 0.00 O ATOM 1141 CB LEU A 74 2.581 -11.863 8.871 1.00 0.00 C ATOM 1142 CG LEU A 74 2.661 -10.853 9.991 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.089 -10.608 10.375 1.00 0.00 C ATOM 1144 CD2 LEU A 74 1.935 -9.558 9.663 1.00 0.00 C ATOM 0 H LEU A 74 -0.562 -11.292 8.840 1.00 0.00 H new ATOM 0 HA LEU A 74 1.178 -10.867 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.727 -12.858 9.292 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.407 -11.683 8.183 1.00 0.00 H new ATOM 0 HG LEU A 74 2.143 -11.278 10.851 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.128 -9.878 11.183 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.542 -11.542 10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.637 -10.226 9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.024 -8.868 10.502 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.377 -9.108 8.774 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.882 -9.768 9.477 1.00 0.00 H new ATOM 1156 N ALA A 75 0.159 -13.476 6.666 1.00 0.00 N ATOM 1157 CA ALA A 75 0.043 -14.417 5.590 1.00 0.00 C ATOM 1158 C ALA A 75 -0.041 -13.694 4.275 1.00 0.00 C ATOM 1159 O ALA A 75 -0.706 -12.671 4.159 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.181 -15.289 5.771 1.00 0.00 C ATOM 0 H ALA A 75 -0.699 -13.341 7.202 1.00 0.00 H new ATOM 0 HA ALA A 75 0.929 -15.052 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.250 -15.996 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.102 -15.836 6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.074 -14.664 5.789 1.00 0.00 H new ATOM 1166 N TYR A 76 0.646 -14.198 3.313 1.00 0.00 N ATOM 1167 CA TYR A 76 0.644 -13.631 2.003 1.00 0.00 C ATOM 1168 C TYR A 76 -0.364 -14.299 1.134 1.00 0.00 C ATOM 1169 O TYR A 76 -0.567 -15.521 1.216 1.00 0.00 O ATOM 1170 CB TYR A 76 2.004 -13.743 1.372 1.00 0.00 C ATOM 1171 CG TYR A 76 2.973 -12.749 1.900 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.583 -12.924 3.111 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.279 -11.637 1.167 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.489 -12.014 3.577 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.176 -10.710 1.607 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.792 -10.903 2.822 1.00 0.00 C ATOM 1177 OH TYR A 76 5.710 -9.998 3.286 1.00 0.00 O ATOM 0 H TYR A 76 1.234 -15.026 3.410 1.00 0.00 H new ATOM 0 HA TYR A 76 0.382 -12.578 2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.394 -14.747 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.910 -13.613 0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.346 -13.793 3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.796 -11.489 0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.966 -12.165 4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.400 -9.837 1.011 1.00 0.00 H new ATOM 0 HH TYR A 76 5.990 -9.411 2.553 1.00 0.00 H new ATOM 1187 N VAL A 77 -1.009 -13.530 0.331 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.930 -14.021 -0.630 1.00 0.00 C ATOM 1189 C VAL A 77 -1.124 -14.476 -1.833 1.00 0.00 C ATOM 1190 O VAL A 77 -0.612 -13.664 -2.604 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.960 -12.921 -1.025 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.910 -13.401 -2.116 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.751 -12.467 0.205 1.00 0.00 C ATOM 0 H VAL A 77 -0.908 -12.515 0.324 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.504 -14.853 -0.222 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.401 -12.075 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.612 -12.605 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.338 -13.669 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.460 -14.273 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.467 -11.698 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.284 -13.318 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.065 -12.061 0.949 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.968 -15.763 -1.941 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.178 -16.386 -2.971 1.00 0.00 C ATOM 1205 C GLU A 78 -1.098 -17.073 -3.952 1.00 0.00 C ATOM 1206 O GLU A 78 -0.705 -17.941 -4.742 1.00 0.00 O ATOM 1207 CB GLU A 78 0.750 -17.355 -2.303 1.00 0.00 C ATOM 1208 CG GLU A 78 1.776 -16.618 -1.436 1.00 0.00 C ATOM 1209 CD GLU A 78 2.936 -17.452 -0.992 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.949 -17.512 -1.732 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.898 -18.012 0.119 1.00 0.00 O ATOM 0 H GLU A 78 -1.397 -16.429 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 78 0.409 -15.657 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.177 -18.048 -1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.265 -17.950 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.155 -15.762 -1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.270 -16.225 -0.554 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.347 -16.689 -3.836 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.426 -17.101 -4.667 1.00 0.00 C ATOM 1220 C ASP A 79 -3.321 -16.415 -5.991 1.00 0.00 C ATOM 1221 O ASP A 79 -2.718 -15.333 -6.111 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.765 -16.638 -4.055 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.983 -17.054 -2.611 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.269 -16.546 -1.719 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.855 -17.916 -2.336 1.00 0.00 O ATOM 0 H ASP A 79 -2.643 -16.039 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.386 -18.186 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.820 -15.551 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.581 -17.034 -4.660 1.00 0.00 H new ATOM 1230 N SER A 80 -3.892 -17.032 -6.961 1.00 0.00 N ATOM 1231 CA SER A 80 -3.991 -16.507 -8.272 1.00 0.00 C ATOM 1232 C SER A 80 -5.146 -15.528 -8.363 1.00 0.00 C ATOM 1233 O SER A 80 -5.046 -14.464 -8.988 1.00 0.00 O ATOM 1234 CB SER A 80 -4.214 -17.638 -9.202 1.00 0.00 C ATOM 1235 OG SER A 80 -3.164 -18.598 -9.107 1.00 0.00 O ATOM 0 H SER A 80 -4.319 -17.952 -6.858 1.00 0.00 H new ATOM 0 HA SER A 80 -3.075 -15.975 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.168 -18.115 -8.977 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.278 -17.265 -10.224 1.00 0.00 H new ATOM 0 HG SER A 80 -3.337 -19.335 -9.730 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.223 -15.880 -7.733 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.395 -15.089 -7.683 1.00 0.00 C ATOM 1243 C PHE A 81 -7.782 -14.874 -6.242 1.00 0.00 C ATOM 1244 O PHE A 81 -7.405 -15.640 -5.367 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.523 -15.749 -8.430 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.412 -15.727 -9.921 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.543 -16.576 -10.576 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -9.189 -14.864 -10.669 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.444 -16.563 -11.951 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -9.098 -14.844 -12.041 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.224 -15.693 -12.686 1.00 0.00 C ATOM 0 H PHE A 81 -6.305 -16.760 -7.223 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.195 -14.129 -8.159 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.592 -16.787 -8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.456 -15.263 -8.146 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.933 -17.259 -10.004 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.876 -14.197 -10.170 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.759 -17.231 -12.451 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.711 -14.163 -12.613 1.00 0.00 H new ATOM 0 HZ PHE A 81 -8.150 -15.677 -13.763 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.515 -13.839 -6.020 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.971 -13.466 -4.712 1.00 0.00 C ATOM 1263 C LEU A 82 -10.283 -14.096 -4.426 1.00 0.00 C ATOM 1264 O LEU A 82 -11.124 -14.238 -5.305 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.088 -11.961 -4.643 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.780 -11.252 -4.312 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.957 -9.756 -4.294 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.241 -11.755 -2.965 1.00 0.00 C ATOM 0 H LEU A 82 -8.826 -13.207 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.256 -13.811 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.458 -11.591 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.832 -11.699 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.055 -11.484 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.006 -9.280 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.296 -9.418 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.697 -9.486 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.306 -11.245 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.970 -11.549 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.064 -12.829 -3.022 1.00 0.00 H new ATOM 1280 N THR A 83 -10.452 -14.481 -3.216 1.00 0.00 N ATOM 1281 CA THR A 83 -11.656 -15.054 -2.790 1.00 0.00 C ATOM 1282 C THR A 83 -12.446 -13.958 -2.094 1.00 0.00 C ATOM 1283 O THR A 83 -11.831 -12.998 -1.581 1.00 0.00 O ATOM 1284 CB THR A 83 -11.373 -16.205 -1.792 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.589 -15.701 -0.693 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.616 -17.340 -2.469 1.00 0.00 C ATOM 0 H THR A 83 -9.742 -14.402 -2.488 1.00 0.00 H new ATOM 0 HA THR A 83 -12.210 -15.464 -3.634 1.00 0.00 H new ATOM 0 HB THR A 83 -12.326 -16.591 -1.430 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.410 -16.427 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.430 -18.135 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.210 -17.732 -3.295 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.666 -16.967 -2.851 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.790 -14.032 -2.069 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.601 -13.089 -1.301 1.00 0.00 C ATOM 1296 C PRO A 84 -14.168 -13.125 0.157 1.00 0.00 C ATOM 1297 O PRO A 84 -14.160 -12.120 0.820 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.027 -13.613 -1.477 1.00 0.00 C ATOM 1299 CG PRO A 84 -15.981 -14.363 -2.759 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.622 -14.990 -2.813 1.00 0.00 C ATOM 0 HA PRO A 84 -14.506 -12.053 -1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.320 -14.257 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.749 -12.798 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.764 -15.121 -2.798 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.139 -13.698 -3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.614 -15.977 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.275 -15.115 -3.839 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.740 -14.298 0.610 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.201 -14.485 1.941 1.00 0.00 C ATOM 1310 C GLU A 85 -11.981 -13.617 2.175 1.00 0.00 C ATOM 1311 O GLU A 85 -11.889 -12.960 3.199 1.00 0.00 O ATOM 1312 CB GLU A 85 -12.866 -15.945 2.172 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.084 -16.830 2.290 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.864 -16.545 3.550 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -15.573 -15.523 3.622 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.780 -17.350 4.491 1.00 0.00 O ATOM 0 H GLU A 85 -13.760 -15.152 0.053 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.965 -14.180 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.245 -16.302 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.272 -16.034 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.727 -16.681 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.776 -17.875 2.282 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.055 -13.605 1.219 1.00 0.00 N ATOM 1324 CA ARG A 86 -9.885 -12.753 1.326 1.00 0.00 C ATOM 1325 C ARG A 86 -10.282 -11.312 1.358 1.00 0.00 C ATOM 1326 O ARG A 86 -9.717 -10.540 2.101 1.00 0.00 O ATOM 1327 CB ARG A 86 -8.858 -12.970 0.225 1.00 0.00 C ATOM 1328 CG ARG A 86 -7.841 -14.096 0.402 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.056 -13.967 1.713 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.776 -14.587 2.819 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.779 -14.196 4.109 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -7.185 -13.065 4.498 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -8.389 -14.941 5.015 1.00 0.00 N ATOM 0 H ARG A 86 -11.095 -14.171 0.372 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.406 -13.036 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.398 -13.152 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.306 -12.039 0.096 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.357 -15.056 0.383 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.146 -14.091 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.078 -14.436 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.881 -12.914 1.934 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.339 -15.406 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.714 -12.474 3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.202 -12.792 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.853 -15.805 4.736 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.395 -14.651 5.993 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.262 -10.967 0.561 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.741 -9.614 0.478 1.00 0.00 C ATOM 1349 C LEU A 87 -12.380 -9.207 1.785 1.00 0.00 C ATOM 1350 O LEU A 87 -12.089 -8.169 2.323 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.737 -9.480 -0.651 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.265 -9.910 -2.017 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.332 -9.612 -3.050 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -10.966 -9.222 -2.354 1.00 0.00 C ATOM 0 H LEU A 87 -11.751 -11.621 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.895 -8.956 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.622 -10.063 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.048 -8.437 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.086 -10.985 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.983 -9.925 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.244 -10.154 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.538 -8.542 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.632 -9.538 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.114 -8.142 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.211 -9.487 -1.614 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.233 -10.043 2.270 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.903 -9.863 3.502 1.00 0.00 C ATOM 1368 C VAL A 88 -12.996 -9.809 4.704 1.00 0.00 C ATOM 1369 O VAL A 88 -13.132 -8.909 5.559 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.062 -10.844 3.601 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.585 -10.849 4.969 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.149 -10.629 2.604 1.00 0.00 C ATOM 0 H VAL A 88 -13.490 -10.907 1.794 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.331 -8.861 3.514 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.657 -11.825 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.415 -11.552 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.796 -11.149 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.933 -9.849 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -16.930 -11.374 2.751 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.570 -9.632 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.743 -10.723 1.597 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.080 -10.715 4.773 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.068 -10.678 5.796 1.00 0.00 C ATOM 1384 C GLU A 89 -10.148 -9.470 5.659 1.00 0.00 C ATOM 1385 O GLU A 89 -9.589 -8.991 6.636 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.279 -11.945 5.820 1.00 0.00 C ATOM 1387 CG GLU A 89 -10.908 -13.007 6.671 1.00 0.00 C ATOM 1388 CD GLU A 89 -11.019 -12.524 8.083 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.966 -12.336 8.747 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -12.131 -12.303 8.560 1.00 0.00 O ATOM 0 H GLU A 89 -12.004 -11.502 4.129 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.589 -10.578 6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.170 -12.319 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.276 -11.736 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.895 -13.259 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.310 -13.917 6.634 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.976 -9.001 4.461 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.186 -7.797 4.242 1.00 0.00 C ATOM 1399 C ALA A 90 -9.985 -6.550 4.596 1.00 0.00 C ATOM 1400 O ALA A 90 -9.426 -5.591 5.124 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.670 -7.719 2.844 1.00 0.00 C ATOM 0 H ALA A 90 -10.363 -9.420 3.616 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.323 -7.850 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.086 -6.807 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.039 -8.584 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.508 -7.709 2.147 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.303 -6.577 4.325 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.224 -5.491 4.701 1.00 0.00 C ATOM 1409 C GLU A 91 -12.152 -5.202 6.200 1.00 0.00 C ATOM 1410 O GLU A 91 -12.488 -4.101 6.648 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.636 -5.821 4.318 1.00 0.00 C ATOM 1412 CG GLU A 91 -14.027 -5.532 2.895 1.00 0.00 C ATOM 1413 CD GLU A 91 -14.322 -4.077 2.684 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -15.484 -3.649 2.932 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -13.439 -3.323 2.316 1.00 0.00 O ATOM 0 H GLU A 91 -11.758 -7.351 3.840 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.912 -4.600 4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.803 -6.881 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.307 -5.268 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.223 -5.841 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.904 -6.123 2.632 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.752 -6.201 6.963 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.543 -6.070 8.386 1.00 0.00 C ATOM 1424 C LYS A 92 -10.563 -4.941 8.701 1.00 0.00 C ATOM 1425 O LYS A 92 -10.762 -4.175 9.630 1.00 0.00 O ATOM 1426 CB LYS A 92 -10.985 -7.364 8.937 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.895 -8.565 8.760 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.245 -8.383 9.419 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.106 -9.624 9.257 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.604 -10.761 10.042 1.00 0.00 N ATOM 0 H LYS A 92 -11.562 -7.137 6.604 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.504 -5.840 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.032 -7.571 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.779 -7.233 9.999 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.038 -8.752 7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.409 -9.447 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.109 -8.167 10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.754 -7.524 8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.127 -9.397 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.144 -9.902 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.401 -11.368 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.935 -11.312 9.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.120 -10.409 10.893 1.00 0.00 H new ATOM 1444 N SER A 93 -9.500 -4.851 7.930 1.00 0.00 N ATOM 1445 CA SER A 93 -8.495 -3.844 8.143 1.00 0.00 C ATOM 1446 C SER A 93 -7.885 -3.265 6.846 1.00 0.00 C ATOM 1447 O SER A 93 -8.301 -2.204 6.378 1.00 0.00 O ATOM 1448 CB SER A 93 -7.454 -4.351 9.100 1.00 0.00 C ATOM 1449 OG SER A 93 -8.053 -4.646 10.367 1.00 0.00 O ATOM 0 H SER A 93 -9.313 -5.473 7.143 1.00 0.00 H new ATOM 0 HA SER A 93 -8.997 -2.988 8.595 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.982 -5.246 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.669 -3.605 9.225 1.00 0.00 H new ATOM 0 HG SER A 93 -7.394 -4.510 11.080 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.928 -3.951 6.279 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.240 -3.537 5.057 1.00 0.00 C ATOM 1457 C TYR A 94 -5.557 -4.754 4.424 1.00 0.00 C ATOM 1458 O TYR A 94 -5.638 -5.866 4.951 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.085 -2.510 5.306 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.062 -2.686 6.382 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.434 -2.745 7.691 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.712 -2.689 6.078 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.496 -2.822 8.701 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.768 -2.751 7.066 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.152 -2.819 8.374 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.188 -2.874 9.363 1.00 0.00 O ATOM 0 H TYR A 94 -6.588 -4.837 6.653 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.008 -3.083 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.537 -2.426 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.561 -1.546 5.485 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.484 -2.731 7.944 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.399 -2.642 5.045 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.808 -2.884 9.733 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.719 -2.746 6.811 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.298 -2.864 8.953 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.871 -4.505 3.327 1.00 0.00 N ATOM 1477 CA PHE A 95 -3.957 -5.443 2.680 1.00 0.00 C ATOM 1478 C PHE A 95 -2.610 -4.791 2.684 1.00 0.00 C ATOM 1479 O PHE A 95 -2.538 -3.582 2.636 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.304 -5.701 1.205 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.185 -6.874 0.909 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.853 -8.132 1.383 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.312 -6.730 0.116 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.636 -9.230 1.077 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.094 -7.823 -0.203 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.758 -9.075 0.280 1.00 0.00 C ATOM 0 H PHE A 95 -4.933 -3.612 2.838 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.008 -6.391 3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.786 -4.807 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.372 -5.830 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.974 -8.257 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.582 -5.753 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.373 -10.206 1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.966 -7.700 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.370 -9.931 0.036 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.554 -5.543 2.766 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.241 -4.939 2.674 1.00 0.00 C ATOM 1498 C ILE A 96 0.452 -5.425 1.408 1.00 0.00 C ATOM 1499 O ILE A 96 0.895 -6.557 1.332 1.00 0.00 O ATOM 1500 CB ILE A 96 0.645 -5.221 3.878 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.142 -5.028 5.160 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.845 -4.268 3.850 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.691 -5.137 6.397 1.00 0.00 C ATOM 0 H ILE A 96 -1.563 -6.555 2.894 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.394 -3.860 2.646 1.00 0.00 H new ATOM 0 HB ILE A 96 0.996 -6.252 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.620 -4.048 5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.939 -5.770 5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.485 -4.464 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.412 -4.424 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.492 -3.237 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.061 -4.988 7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.148 -6.126 6.442 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.472 -4.377 6.378 1.00 0.00 H new ATOM 1515 N LEU A 97 0.461 -4.585 0.414 1.00 0.00 N ATOM 1516 CA LEU A 97 1.083 -4.865 -0.859 1.00 0.00 C ATOM 1517 C LEU A 97 2.573 -4.660 -0.706 1.00 0.00 C ATOM 1518 O LEU A 97 3.058 -3.540 -0.536 1.00 0.00 O ATOM 1519 CB LEU A 97 0.479 -3.912 -1.908 1.00 0.00 C ATOM 1520 CG LEU A 97 0.637 -4.230 -3.415 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.716 -3.413 -4.040 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.871 -5.714 -3.667 1.00 0.00 C ATOM 0 H LEU A 97 0.027 -3.663 0.462 1.00 0.00 H new ATOM 0 HA LEU A 97 0.907 -5.890 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.589 -3.835 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.909 -2.925 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.307 -3.961 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.797 -3.665 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.478 -2.355 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.664 -3.622 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.976 -5.889 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.781 -6.031 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.024 -6.286 -3.287 1.00 0.00 H new ATOM 1534 N ARG A 98 3.279 -5.742 -0.690 1.00 0.00 N ATOM 1535 CA ARG A 98 4.693 -5.714 -0.446 1.00 0.00 C ATOM 1536 C ARG A 98 5.394 -6.515 -1.470 1.00 0.00 C ATOM 1537 O ARG A 98 4.770 -7.338 -2.163 1.00 0.00 O ATOM 1538 CB ARG A 98 5.008 -6.414 0.854 1.00 0.00 C ATOM 1539 CG ARG A 98 4.226 -5.980 2.040 1.00 0.00 C ATOM 1540 CD ARG A 98 4.618 -6.803 3.232 1.00 0.00 C ATOM 1541 NE ARG A 98 6.036 -6.623 3.562 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.583 -6.889 4.735 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.848 -7.426 5.709 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.879 -6.636 4.927 1.00 0.00 N ATOM 0 H ARG A 98 2.896 -6.675 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 98 5.001 -4.668 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.852 -7.484 0.714 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.067 -6.272 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.406 -4.924 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.159 -6.090 1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.005 -6.522 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.420 -7.856 3.030 1.00 0.00 H new ATOM 0 HE ARG A 98 6.648 -6.264 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.862 -7.632 5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.272 -7.631 6.614 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.439 -6.241 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.310 -6.838 5.829 1.00 0.00 H new ATOM 1558 N MET A 99 6.680 -6.292 -1.578 1.00 0.00 N ATOM 1559 CA MET A 99 7.483 -7.184 -2.299 1.00 0.00 C ATOM 1560 C MET A 99 7.677 -8.362 -1.394 1.00 0.00 C ATOM 1561 O MET A 99 7.965 -8.186 -0.200 1.00 0.00 O ATOM 1562 CB MET A 99 8.839 -6.612 -2.650 1.00 0.00 C ATOM 1563 CG MET A 99 8.789 -5.357 -3.474 1.00 0.00 C ATOM 1564 SD MET A 99 10.354 -4.961 -4.292 1.00 0.00 S ATOM 1565 CE MET A 99 10.445 -6.313 -5.486 1.00 0.00 C ATOM 0 H MET A 99 7.171 -5.497 -1.169 1.00 0.00 H new ATOM 0 HA MET A 99 7.001 -7.428 -3.245 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.382 -6.405 -1.728 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.408 -7.366 -3.193 1.00 0.00 H new ATOM 0 HG2 MET A 99 8.010 -5.460 -4.230 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.503 -4.523 -2.833 1.00 0.00 H new ATOM 0 HE1 MET A 99 11.075 -6.016 -6.325 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.871 -7.194 -5.006 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.444 -6.546 -5.849 1.00 0.00 H new