USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 486 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 MET CE :methyl 145:sc= -0.0253 (180deg=-1.81!) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 17 ASN : amide:sc= -4.32! C(o=-4.3!,f=-5.7!) USER MOD Single : A 18 SER OG : rot 114:sc= 1.79 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.93! C(o=-3.9!,f=-3.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0256 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -140:sc= -5.62! (180deg=-11.5!) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.0483 (180deg=-0.774) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 1.437 1.679 -7.628 1.00 0.00 N ATOM 83 CA ARG A 7 1.637 1.524 -6.160 1.00 0.00 C ATOM 84 C ARG A 7 2.499 0.282 -5.877 1.00 0.00 C ATOM 85 O ARG A 7 2.377 -0.720 -6.552 1.00 0.00 O ATOM 86 CB ARG A 7 0.277 1.358 -5.480 1.00 0.00 C ATOM 87 CG ARG A 7 -0.562 2.620 -5.694 1.00 0.00 C ATOM 88 CD ARG A 7 -0.980 3.191 -4.338 1.00 0.00 C ATOM 89 NE ARG A 7 -2.454 3.052 -4.172 1.00 0.00 N ATOM 90 CZ ARG A 7 -2.961 2.851 -2.985 1.00 0.00 C ATOM 91 NH1 ARG A 7 -2.872 1.676 -2.428 1.00 0.00 N ATOM 92 NH2 ARG A 7 -3.554 3.829 -2.355 1.00 0.00 N ATOM 0 HA ARG A 7 2.141 2.409 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.242 0.491 -5.889 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.412 1.175 -4.414 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.012 3.361 -6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.444 2.386 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.462 2.666 -3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.693 4.240 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.067 3.114 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.406 0.913 -2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.268 1.520 -1.501 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.621 4.749 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.950 3.673 -1.428 1.00 0.00 H new ATOM 106 N PRO A 8 3.334 0.389 -4.871 1.00 0.00 N ATOM 107 CA PRO A 8 4.223 -0.708 -4.449 1.00 0.00 C ATOM 108 C PRO A 8 3.420 -1.790 -3.722 1.00 0.00 C ATOM 109 O PRO A 8 2.497 -1.503 -2.985 1.00 0.00 O ATOM 110 CB PRO A 8 5.217 -0.021 -3.501 1.00 0.00 C ATOM 111 CG PRO A 8 4.519 1.266 -3.002 1.00 0.00 C ATOM 112 CD PRO A 8 3.467 1.617 -4.066 1.00 0.00 C ATOM 0 HA PRO A 8 4.719 -1.209 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.473 -0.673 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.147 0.216 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.052 1.105 -2.030 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.237 2.077 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.518 1.897 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.787 2.460 -4.678 1.00 0.00 H new ATOM 120 N LEU A 9 3.760 -3.033 -3.928 1.00 0.00 N ATOM 121 CA LEU A 9 3.014 -4.131 -3.254 1.00 0.00 C ATOM 122 C LEU A 9 3.945 -5.292 -2.942 1.00 0.00 C ATOM 123 O LEU A 9 5.152 -5.198 -3.034 1.00 0.00 O ATOM 124 CB LEU A 9 1.849 -4.606 -4.130 1.00 0.00 C ATOM 125 CG LEU A 9 2.354 -5.595 -5.169 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.216 -5.958 -6.118 1.00 0.00 C ATOM 127 CD2 LEU A 9 3.490 -4.937 -5.935 1.00 0.00 C ATOM 0 H LEU A 9 4.523 -3.335 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 9 2.610 -3.747 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.084 -5.074 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.382 -3.753 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 9 2.711 -6.507 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.576 -6.667 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.401 -6.409 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.857 -5.058 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.870 -5.628 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.124 -4.034 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.292 -4.677 -5.244 1.00 0.00 H new ATOM 139 N SER A 10 3.367 -6.374 -2.544 1.00 0.00 N ATOM 140 CA SER A 10 4.168 -7.577 -2.172 1.00 0.00 C ATOM 141 C SER A 10 4.534 -8.407 -3.409 1.00 0.00 C ATOM 142 O SER A 10 3.794 -8.485 -4.379 1.00 0.00 O ATOM 143 CB SER A 10 3.354 -8.442 -1.209 1.00 0.00 C ATOM 144 OG SER A 10 3.067 -7.694 -0.035 1.00 0.00 O ATOM 0 H SER A 10 2.357 -6.488 -2.456 1.00 0.00 H new ATOM 0 HA SER A 10 5.091 -7.243 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.428 -8.763 -1.685 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.910 -9.344 -0.953 1.00 0.00 H new ATOM 0 HG SER A 10 2.544 -8.245 0.584 1.00 0.00 H new ATOM 150 N ALA A 11 5.673 -9.047 -3.365 1.00 0.00 N ATOM 151 CA ALA A 11 6.103 -9.896 -4.509 1.00 0.00 C ATOM 152 C ALA A 11 5.081 -11.014 -4.698 1.00 0.00 C ATOM 153 O ALA A 11 4.778 -11.423 -5.803 1.00 0.00 O ATOM 154 CB ALA A 11 7.471 -10.505 -4.205 1.00 0.00 C ATOM 0 H ALA A 11 6.325 -9.016 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 11 6.171 -9.294 -5.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.787 -11.127 -5.043 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.198 -9.708 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.406 -11.115 -3.304 1.00 0.00 H new ATOM 160 N TYR A 12 4.536 -11.502 -3.616 1.00 0.00 N ATOM 161 CA TYR A 12 3.525 -12.579 -3.702 1.00 0.00 C ATOM 162 C TYR A 12 2.371 -12.103 -4.582 1.00 0.00 C ATOM 163 O TYR A 12 1.722 -12.882 -5.251 1.00 0.00 O ATOM 164 CB TYR A 12 3.020 -12.868 -2.292 1.00 0.00 C ATOM 165 CG TYR A 12 1.738 -13.655 -2.360 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.680 -14.822 -3.124 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.609 -13.220 -1.657 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.495 -15.559 -3.188 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.579 -13.955 -1.721 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.636 -15.127 -2.487 1.00 0.00 C ATOM 171 OH TYR A 12 -1.807 -15.855 -2.548 1.00 0.00 O ATOM 0 H TYR A 12 4.755 -11.193 -2.669 1.00 0.00 H new ATOM 0 HA TYR A 12 3.954 -13.483 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.771 -13.427 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.855 -11.933 -1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.552 -15.155 -3.666 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.655 -12.318 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.452 -16.462 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.452 -13.620 -1.181 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.493 -15.417 -2.003 1.00 0.00 H new ATOM 181 N MET A 13 2.113 -10.825 -4.587 1.00 0.00 N ATOM 182 CA MET A 13 1.007 -10.295 -5.422 1.00 0.00 C ATOM 183 C MET A 13 1.430 -10.315 -6.891 1.00 0.00 C ATOM 184 O MET A 13 0.691 -10.757 -7.745 1.00 0.00 O ATOM 185 CB MET A 13 0.680 -8.862 -5.000 1.00 0.00 C ATOM 186 CG MET A 13 -0.718 -8.819 -4.380 1.00 0.00 C ATOM 187 SD MET A 13 -0.825 -7.429 -3.227 1.00 0.00 S ATOM 188 CE MET A 13 -0.417 -8.348 -1.721 1.00 0.00 C ATOM 0 H MET A 13 2.623 -10.126 -4.047 1.00 0.00 H new ATOM 0 HA MET A 13 0.121 -10.916 -5.288 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.419 -8.505 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.727 -8.198 -5.863 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.471 -8.716 -5.161 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.925 -9.754 -3.859 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.162 -7.712 -1.052 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.336 -8.656 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.169 -9.230 -1.980 1.00 0.00 H new ATOM 198 N LEU A 14 2.613 -9.847 -7.199 1.00 0.00 N ATOM 199 CA LEU A 14 3.046 -9.865 -8.631 1.00 0.00 C ATOM 200 C LEU A 14 2.762 -11.246 -9.216 1.00 0.00 C ATOM 201 O LEU A 14 2.241 -11.376 -10.307 1.00 0.00 O ATOM 202 CB LEU A 14 4.546 -9.577 -8.753 1.00 0.00 C ATOM 203 CG LEU A 14 4.964 -8.534 -7.716 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.364 -8.009 -8.052 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.974 -7.371 -7.741 1.00 0.00 C ATOM 0 H LEU A 14 3.286 -9.461 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 14 2.496 -9.095 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.114 -10.496 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.775 -9.217 -9.756 1.00 0.00 H new ATOM 0 HG LEU A 14 4.973 -8.991 -6.726 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.661 -7.266 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.075 -8.835 -8.042 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.353 -7.552 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.269 -6.626 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.970 -6.918 -8.732 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.975 -7.738 -7.506 1.00 0.00 H new ATOM 217 N TRP A 15 3.105 -12.278 -8.499 1.00 0.00 N ATOM 218 CA TRP A 15 2.858 -13.654 -9.009 1.00 0.00 C ATOM 219 C TRP A 15 1.351 -13.887 -9.135 1.00 0.00 C ATOM 220 O TRP A 15 0.877 -14.441 -10.107 1.00 0.00 O ATOM 221 CB TRP A 15 3.457 -14.671 -8.036 1.00 0.00 C ATOM 222 CG TRP A 15 3.020 -16.046 -8.418 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.558 -16.785 -9.415 1.00 0.00 C ATOM 224 CD2 TRP A 15 1.966 -16.858 -7.829 1.00 0.00 C ATOM 225 NE1 TRP A 15 2.901 -18.001 -9.473 1.00 0.00 N ATOM 226 CE2 TRP A 15 1.911 -18.093 -8.515 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.060 -16.643 -6.775 1.00 0.00 C ATOM 228 CZ2 TRP A 15 0.991 -19.081 -8.167 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.131 -17.636 -6.422 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.097 -18.853 -7.117 1.00 0.00 C ATOM 0 H TRP A 15 3.546 -12.228 -7.581 1.00 0.00 H new ATOM 0 HA TRP A 15 3.324 -13.771 -9.987 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.545 -14.607 -8.051 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.139 -14.447 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.368 -16.476 -10.060 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.121 -18.739 -10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.079 -15.709 -6.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.969 -20.017 -8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.560 -17.461 -5.611 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.619 -19.613 -6.842 1.00 0.00 H new ATOM 241 N LEU A 16 0.592 -13.463 -8.159 1.00 0.00 N ATOM 242 CA LEU A 16 -0.884 -13.656 -8.223 1.00 0.00 C ATOM 243 C LEU A 16 -1.447 -12.937 -9.450 1.00 0.00 C ATOM 244 O LEU A 16 -2.498 -13.282 -9.954 1.00 0.00 O ATOM 245 CB LEU A 16 -1.528 -13.073 -6.964 1.00 0.00 C ATOM 246 CG LEU A 16 -1.150 -13.929 -5.757 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.108 -13.054 -4.504 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.191 -15.035 -5.576 1.00 0.00 C ATOM 0 H LEU A 16 0.932 -12.991 -7.321 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.103 -14.722 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.195 -12.046 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.612 -13.043 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.169 -14.375 -5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.838 -13.665 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.367 -12.265 -4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.088 -12.607 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.924 -15.648 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.172 -14.588 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.219 -15.658 -6.470 1.00 0.00 H new ATOM 260 N ASN A 17 -0.763 -11.938 -9.933 1.00 0.00 N ATOM 261 CA ASN A 17 -1.265 -11.198 -11.116 1.00 0.00 C ATOM 262 C ASN A 17 -0.892 -11.950 -12.394 1.00 0.00 C ATOM 263 O ASN A 17 -1.656 -12.005 -13.337 1.00 0.00 O ATOM 264 CB ASN A 17 -0.641 -9.813 -11.132 1.00 0.00 C ATOM 265 CG ASN A 17 -0.537 -9.277 -9.701 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.290 -9.675 -8.834 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.373 -8.382 -9.416 1.00 0.00 N ATOM 0 H ASN A 17 0.124 -11.604 -9.556 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.350 -11.112 -11.063 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.348 -9.855 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.244 -9.139 -11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.451 -8.018 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.005 -8.048 -10.143 1.00 0.00 H new ATOM 274 N SER A 18 0.272 -12.535 -12.434 1.00 0.00 N ATOM 275 CA SER A 18 0.684 -13.285 -13.647 1.00 0.00 C ATOM 276 C SER A 18 0.229 -14.740 -13.528 1.00 0.00 C ATOM 277 O SER A 18 0.555 -15.573 -14.351 1.00 0.00 O ATOM 278 CB SER A 18 2.193 -13.234 -13.770 1.00 0.00 C ATOM 279 OG SER A 18 2.660 -11.962 -13.344 1.00 0.00 O ATOM 0 H SER A 18 0.955 -12.525 -11.677 1.00 0.00 H new ATOM 0 HA SER A 18 0.227 -12.837 -14.530 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.645 -14.020 -13.165 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.491 -13.415 -14.803 1.00 0.00 H new ATOM 0 HG SER A 18 3.199 -12.066 -12.532 1.00 0.00 H new ATOM 285 N ALA A 19 -0.525 -15.055 -12.510 1.00 0.00 N ATOM 286 CA ALA A 19 -1.000 -16.456 -12.341 1.00 0.00 C ATOM 287 C ALA A 19 -2.526 -16.473 -12.251 1.00 0.00 C ATOM 288 O ALA A 19 -3.142 -17.513 -12.328 1.00 0.00 O ATOM 289 CB ALA A 19 -0.420 -17.047 -11.055 1.00 0.00 C ATOM 0 H ALA A 19 -0.832 -14.402 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.674 -17.047 -13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.770 -18.072 -10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.669 -17.040 -11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.744 -16.451 -10.202 1.00 0.00 H new ATOM 295 N ARG A 20 -3.142 -15.335 -12.078 1.00 0.00 N ATOM 296 CA ARG A 20 -4.628 -15.310 -11.972 1.00 0.00 C ATOM 297 C ARG A 20 -5.249 -15.836 -13.267 1.00 0.00 C ATOM 298 O ARG A 20 -6.368 -16.311 -13.278 1.00 0.00 O ATOM 299 CB ARG A 20 -5.100 -13.875 -11.713 1.00 0.00 C ATOM 300 CG ARG A 20 -4.974 -13.049 -12.994 1.00 0.00 C ATOM 301 CD ARG A 20 -5.670 -11.701 -12.803 1.00 0.00 C ATOM 302 NE ARG A 20 -6.785 -11.577 -13.784 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.076 -10.412 -14.298 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.021 -9.339 -13.558 1.00 0.00 N ATOM 305 NH2 ARG A 20 -7.419 -10.321 -15.554 1.00 0.00 N ATOM 0 H ARG A 20 -2.683 -14.427 -12.006 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.941 -15.946 -11.144 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.135 -13.879 -11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.505 -13.424 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.923 -12.896 -13.239 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.421 -13.586 -13.831 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.054 -11.618 -11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.957 -10.888 -12.941 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.321 -12.402 -14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.751 -9.409 -12.577 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.248 -8.430 -13.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.460 -11.159 -16.134 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.646 -9.412 -15.956 1.00 0.00 H new ATOM 319 N GLU A 21 -4.539 -15.763 -14.357 1.00 0.00 N ATOM 320 CA GLU A 21 -5.105 -16.267 -15.638 1.00 0.00 C ATOM 321 C GLU A 21 -4.959 -17.785 -15.695 1.00 0.00 C ATOM 322 O GLU A 21 -5.924 -18.507 -15.846 1.00 0.00 O ATOM 323 CB GLU A 21 -4.358 -15.635 -16.814 1.00 0.00 C ATOM 324 CG GLU A 21 -4.549 -14.118 -16.786 1.00 0.00 C ATOM 325 CD GLU A 21 -3.244 -13.431 -17.190 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.674 -13.828 -18.192 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.836 -12.518 -16.491 1.00 0.00 O ATOM 0 H GLU A 21 -3.596 -15.378 -14.417 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.160 -16.001 -15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.297 -15.879 -16.758 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.729 -16.041 -17.755 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.350 -13.829 -17.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.847 -13.797 -15.788 1.00 0.00 H new ATOM 334 N SER A 22 -3.761 -18.274 -15.571 1.00 0.00 N ATOM 335 CA SER A 22 -3.554 -19.747 -15.612 1.00 0.00 C ATOM 336 C SER A 22 -4.111 -20.370 -14.333 1.00 0.00 C ATOM 337 O SER A 22 -4.184 -21.576 -14.200 1.00 0.00 O ATOM 338 CB SER A 22 -2.060 -20.054 -15.724 1.00 0.00 C ATOM 339 OG SER A 22 -1.696 -20.119 -17.097 1.00 0.00 O ATOM 0 H SER A 22 -2.915 -17.719 -15.443 1.00 0.00 H new ATOM 0 HA SER A 22 -4.071 -20.164 -16.477 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.479 -19.283 -15.218 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.833 -20.999 -15.230 1.00 0.00 H new ATOM 0 HG SER A 22 -0.739 -20.314 -17.173 1.00 0.00 H new ATOM 345 N ILE A 23 -4.514 -19.560 -13.393 1.00 0.00 N ATOM 346 CA ILE A 23 -5.076 -20.108 -12.131 1.00 0.00 C ATOM 347 C ILE A 23 -6.580 -20.284 -12.310 1.00 0.00 C ATOM 348 O ILE A 23 -7.153 -21.284 -11.925 1.00 0.00 O ATOM 349 CB ILE A 23 -4.804 -19.125 -10.982 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.397 -19.363 -10.430 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.827 -19.323 -9.858 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.080 -18.306 -9.371 1.00 0.00 C ATOM 0 H ILE A 23 -4.478 -18.542 -13.446 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.613 -21.067 -11.896 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.887 -18.107 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.329 -20.360 -9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.665 -19.316 -11.237 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.622 -18.620 -9.051 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.831 -19.148 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.757 -20.342 -9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.078 -18.475 -8.977 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.131 -17.314 -9.820 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.805 -18.375 -8.560 1.00 0.00 H new ATOM 364 N LYS A 24 -7.226 -19.303 -12.872 1.00 0.00 N ATOM 365 CA LYS A 24 -8.688 -19.390 -13.056 1.00 0.00 C ATOM 366 C LYS A 24 -9.032 -20.418 -14.146 1.00 0.00 C ATOM 367 O LYS A 24 -10.179 -20.775 -14.328 1.00 0.00 O ATOM 368 CB LYS A 24 -9.196 -17.999 -13.434 1.00 0.00 C ATOM 369 CG LYS A 24 -9.167 -17.820 -14.950 1.00 0.00 C ATOM 370 CD LYS A 24 -9.473 -16.365 -15.294 1.00 0.00 C ATOM 371 CE LYS A 24 -10.904 -16.030 -14.873 1.00 0.00 C ATOM 372 NZ LYS A 24 -11.645 -15.462 -16.034 1.00 0.00 N ATOM 0 H LYS A 24 -6.796 -18.442 -13.212 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.168 -19.722 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.212 -17.862 -13.064 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.578 -17.237 -12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.189 -18.100 -15.342 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.899 -18.478 -15.419 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.770 -15.705 -14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.350 -16.200 -16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.407 -16.927 -14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.894 -15.316 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.618 -15.234 -15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.169 -14.597 -16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.666 -16.158 -16.807 1.00 0.00 H new ATOM 386 N ARG A 25 -8.056 -20.886 -14.880 1.00 0.00 N ATOM 387 CA ARG A 25 -8.351 -21.872 -15.957 1.00 0.00 C ATOM 388 C ARG A 25 -7.855 -23.265 -15.560 1.00 0.00 C ATOM 389 O ARG A 25 -8.482 -24.263 -15.861 1.00 0.00 O ATOM 390 CB ARG A 25 -7.660 -21.436 -17.250 1.00 0.00 C ATOM 391 CG ARG A 25 -8.243 -20.099 -17.713 1.00 0.00 C ATOM 392 CD ARG A 25 -7.246 -19.391 -18.620 1.00 0.00 C ATOM 393 NE ARG A 25 -6.499 -20.396 -19.428 1.00 0.00 N ATOM 394 CZ ARG A 25 -6.405 -20.250 -20.721 1.00 0.00 C ATOM 395 NH1 ARG A 25 -6.285 -19.058 -21.237 1.00 0.00 N ATOM 396 NH2 ARG A 25 -6.433 -21.297 -21.501 1.00 0.00 N ATOM 0 H ARG A 25 -7.074 -20.629 -14.780 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.430 -21.913 -16.109 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.587 -21.340 -17.087 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.799 -22.193 -18.022 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.180 -20.265 -18.245 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.473 -19.473 -16.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.768 -18.697 -19.278 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.551 -18.802 -18.022 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.062 -21.196 -18.971 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.265 -18.239 -20.629 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.212 -18.945 -22.248 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.528 -22.230 -21.099 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.359 -21.182 -22.512 1.00 0.00 H new ATOM 410 N GLU A 26 -6.733 -23.349 -14.899 1.00 0.00 N ATOM 411 CA GLU A 26 -6.205 -24.687 -14.502 1.00 0.00 C ATOM 412 C GLU A 26 -6.926 -25.183 -13.243 1.00 0.00 C ATOM 413 O GLU A 26 -6.563 -26.189 -12.668 1.00 0.00 O ATOM 414 CB GLU A 26 -4.703 -24.581 -14.228 1.00 0.00 C ATOM 415 CG GLU A 26 -4.468 -23.900 -12.879 1.00 0.00 C ATOM 416 CD GLU A 26 -3.018 -23.420 -12.796 1.00 0.00 C ATOM 417 OE1 GLU A 26 -2.338 -23.474 -13.807 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.612 -23.006 -11.723 1.00 0.00 O ATOM 0 H GLU A 26 -6.160 -22.553 -14.617 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.379 -25.396 -15.312 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.253 -25.574 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.219 -24.012 -15.022 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.149 -23.057 -12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.679 -24.596 -12.067 1.00 0.00 H new ATOM 425 N ASN A 27 -7.943 -24.488 -12.813 1.00 0.00 N ATOM 426 CA ASN A 27 -8.680 -24.925 -11.593 1.00 0.00 C ATOM 427 C ASN A 27 -10.103 -25.336 -11.970 1.00 0.00 C ATOM 428 O ASN A 27 -10.674 -24.812 -12.905 1.00 0.00 O ATOM 429 CB ASN A 27 -8.734 -23.773 -10.589 1.00 0.00 C ATOM 430 CG ASN A 27 -7.332 -23.515 -10.037 1.00 0.00 C ATOM 431 OD1 ASN A 27 -6.530 -24.423 -9.937 1.00 0.00 O ATOM 432 ND2 ASN A 27 -6.998 -22.308 -9.674 1.00 0.00 N ATOM 0 H ASN A 27 -8.295 -23.638 -13.253 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.164 -25.775 -11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.118 -22.874 -11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.418 -24.016 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.064 -22.126 -9.306 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.671 -21.546 -9.758 1.00 0.00 H new ATOM 439 N PRO A 28 -10.634 -26.266 -11.219 1.00 0.00 N ATOM 440 CA PRO A 28 -11.993 -26.783 -11.430 1.00 0.00 C ATOM 441 C PRO A 28 -13.026 -25.798 -10.889 1.00 0.00 C ATOM 442 O PRO A 28 -13.664 -26.050 -9.886 1.00 0.00 O ATOM 443 CB PRO A 28 -12.018 -28.078 -10.635 1.00 0.00 C ATOM 444 CG PRO A 28 -10.903 -27.965 -9.590 1.00 0.00 C ATOM 445 CD PRO A 28 -9.925 -26.891 -10.088 1.00 0.00 C ATOM 0 HA PRO A 28 -12.232 -26.933 -12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.987 -28.221 -10.156 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.855 -28.937 -11.286 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.313 -27.692 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.394 -28.921 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.698 -26.164 -9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.977 -27.328 -10.402 1.00 0.00 H new ATOM 453 N GLY A 29 -13.190 -24.672 -11.529 1.00 0.00 N ATOM 454 CA GLY A 29 -14.174 -23.679 -11.020 1.00 0.00 C ATOM 455 C GLY A 29 -13.968 -23.539 -9.514 1.00 0.00 C ATOM 456 O GLY A 29 -14.880 -23.225 -8.775 1.00 0.00 O ATOM 0 H GLY A 29 -12.689 -24.400 -12.375 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.035 -22.718 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.191 -24.005 -11.237 1.00 0.00 H new ATOM 460 N ILE A 30 -12.768 -23.791 -9.062 1.00 0.00 N ATOM 461 CA ILE A 30 -12.464 -23.698 -7.614 1.00 0.00 C ATOM 462 C ILE A 30 -13.207 -22.515 -6.990 1.00 0.00 C ATOM 463 O ILE A 30 -13.440 -21.509 -7.630 1.00 0.00 O ATOM 464 CB ILE A 30 -10.966 -23.517 -7.448 1.00 0.00 C ATOM 465 CG1 ILE A 30 -10.605 -23.466 -5.963 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.570 -22.217 -8.116 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.087 -23.566 -5.805 1.00 0.00 C ATOM 0 H ILE A 30 -11.978 -24.061 -9.648 1.00 0.00 H new ATOM 0 HA ILE A 30 -12.789 -24.608 -7.110 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.436 -24.354 -7.904 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.967 -22.538 -5.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.092 -24.283 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.496 -22.066 -8.009 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.827 -22.259 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.102 -21.390 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.828 -23.530 -4.747 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.738 -24.506 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.612 -22.733 -6.324 1.00 0.00 H new ATOM 479 N LYS A 31 -13.581 -22.628 -5.745 1.00 0.00 N ATOM 480 CA LYS A 31 -14.312 -21.512 -5.082 1.00 0.00 C ATOM 481 C LYS A 31 -13.508 -20.218 -5.225 1.00 0.00 C ATOM 482 O LYS A 31 -12.310 -20.239 -5.431 1.00 0.00 O ATOM 483 CB LYS A 31 -14.498 -21.835 -3.599 1.00 0.00 C ATOM 484 CG LYS A 31 -15.888 -22.435 -3.376 1.00 0.00 C ATOM 485 CD LYS A 31 -15.801 -23.961 -3.427 1.00 0.00 C ATOM 486 CE LYS A 31 -15.481 -24.504 -2.033 1.00 0.00 C ATOM 487 NZ LYS A 31 -16.140 -25.829 -1.850 1.00 0.00 N ATOM 0 H LYS A 31 -13.412 -23.445 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.287 -21.387 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.731 -22.536 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.381 -20.931 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.283 -22.115 -2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.578 -22.074 -4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.743 -24.377 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.030 -24.268 -4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.403 -24.602 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.827 -23.806 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.922 -26.197 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -17.169 -25.722 -1.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.789 -26.494 -2.569 1.00 0.00 H new ATOM 501 N VAL A 32 -14.156 -19.090 -5.114 1.00 0.00 N ATOM 502 CA VAL A 32 -13.439 -17.802 -5.240 1.00 0.00 C ATOM 503 C VAL A 32 -12.570 -17.588 -3.994 1.00 0.00 C ATOM 504 O VAL A 32 -11.567 -16.904 -4.035 1.00 0.00 O ATOM 505 CB VAL A 32 -14.459 -16.671 -5.392 1.00 0.00 C ATOM 506 CG1 VAL A 32 -15.682 -16.983 -4.551 1.00 0.00 C ATOM 507 CG2 VAL A 32 -13.858 -15.361 -4.915 1.00 0.00 C ATOM 0 H VAL A 32 -15.158 -19.011 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.795 -17.811 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.737 -16.582 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -16.411 -16.179 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.125 -17.921 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.391 -17.073 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.591 -14.562 -5.027 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.576 -15.451 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.974 -15.128 -5.509 1.00 0.00 H new ATOM 517 N THR A 33 -12.951 -18.169 -2.890 1.00 0.00 N ATOM 518 CA THR A 33 -12.149 -18.002 -1.644 1.00 0.00 C ATOM 519 C THR A 33 -11.044 -19.059 -1.606 1.00 0.00 C ATOM 520 O THR A 33 -9.997 -18.855 -1.023 1.00 0.00 O ATOM 521 CB THR A 33 -13.060 -18.175 -0.428 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.872 -19.327 -0.607 1.00 0.00 O ATOM 523 CG2 THR A 33 -13.950 -16.940 -0.274 1.00 0.00 C ATOM 0 H THR A 33 -13.783 -18.752 -2.796 1.00 0.00 H new ATOM 0 HA THR A 33 -11.703 -17.008 -1.627 1.00 0.00 H new ATOM 0 HB THR A 33 -12.451 -18.295 0.468 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.455 -19.440 0.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.599 -17.065 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.326 -16.057 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.560 -16.817 -1.169 1.00 0.00 H new ATOM 531 N GLU A 34 -11.269 -20.188 -2.222 1.00 0.00 N ATOM 532 CA GLU A 34 -10.231 -21.255 -2.220 1.00 0.00 C ATOM 533 C GLU A 34 -9.179 -20.940 -3.284 1.00 0.00 C ATOM 534 O GLU A 34 -8.118 -21.533 -3.318 1.00 0.00 O ATOM 535 CB GLU A 34 -10.885 -22.604 -2.530 1.00 0.00 C ATOM 536 CG GLU A 34 -11.667 -23.086 -1.307 1.00 0.00 C ATOM 537 CD GLU A 34 -11.359 -24.561 -1.052 1.00 0.00 C ATOM 538 OE1 GLU A 34 -10.324 -24.837 -0.467 1.00 0.00 O ATOM 539 OE2 GLU A 34 -12.163 -25.390 -1.445 1.00 0.00 O ATOM 0 H GLU A 34 -12.126 -20.416 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.756 -21.300 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.552 -22.508 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.123 -23.336 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.399 -22.492 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.736 -22.950 -1.469 1.00 0.00 H new ATOM 546 N VAL A 35 -9.463 -20.009 -4.152 1.00 0.00 N ATOM 547 CA VAL A 35 -8.481 -19.655 -5.210 1.00 0.00 C ATOM 548 C VAL A 35 -7.318 -18.887 -4.586 1.00 0.00 C ATOM 549 O VAL A 35 -6.166 -19.239 -4.750 1.00 0.00 O ATOM 550 CB VAL A 35 -9.166 -18.785 -6.257 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.114 -18.168 -7.182 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.132 -19.640 -7.081 1.00 0.00 C ATOM 0 H VAL A 35 -10.334 -19.479 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.102 -20.562 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.720 -17.990 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.607 -17.546 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.428 -17.556 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.557 -18.962 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.621 -19.017 -7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.579 -20.437 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.884 -20.075 -6.423 1.00 0.00 H new ATOM 562 N ALA A 36 -7.613 -17.840 -3.870 1.00 0.00 N ATOM 563 CA ALA A 36 -6.529 -17.044 -3.229 1.00 0.00 C ATOM 564 C ALA A 36 -5.748 -17.934 -2.261 1.00 0.00 C ATOM 565 O ALA A 36 -4.547 -17.807 -2.119 1.00 0.00 O ATOM 566 CB ALA A 36 -7.140 -15.870 -2.462 1.00 0.00 C ATOM 0 H ALA A 36 -8.559 -17.500 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.856 -16.663 -3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.346 -15.289 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.696 -15.235 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.814 -16.249 -1.694 1.00 0.00 H new ATOM 572 N LYS A 37 -6.415 -18.839 -1.596 1.00 0.00 N ATOM 573 CA LYS A 37 -5.706 -19.735 -0.646 1.00 0.00 C ATOM 574 C LYS A 37 -4.677 -20.567 -1.416 1.00 0.00 C ATOM 575 O LYS A 37 -3.550 -20.732 -0.991 1.00 0.00 O ATOM 576 CB LYS A 37 -6.732 -20.636 0.034 1.00 0.00 C ATOM 577 CG LYS A 37 -6.078 -21.940 0.507 1.00 0.00 C ATOM 578 CD LYS A 37 -7.099 -22.773 1.285 1.00 0.00 C ATOM 579 CE LYS A 37 -6.706 -22.813 2.762 1.00 0.00 C ATOM 580 NZ LYS A 37 -5.884 -24.029 3.028 1.00 0.00 N ATOM 0 H LYS A 37 -7.420 -18.994 -1.672 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.184 -19.155 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.174 -20.116 0.884 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.543 -20.860 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.709 -22.505 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.217 -21.719 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.095 -22.343 1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.142 -23.785 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.143 -21.917 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.599 -22.822 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.617 -24.055 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.436 -24.879 2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.025 -24.002 2.443 1.00 0.00 H new ATOM 594 N ARG A 38 -5.060 -21.086 -2.548 1.00 0.00 N ATOM 595 CA ARG A 38 -4.110 -21.900 -3.355 1.00 0.00 C ATOM 596 C ARG A 38 -2.995 -20.995 -3.878 1.00 0.00 C ATOM 597 O ARG A 38 -1.899 -21.439 -4.155 1.00 0.00 O ATOM 598 CB ARG A 38 -4.857 -22.529 -4.533 1.00 0.00 C ATOM 599 CG ARG A 38 -4.766 -24.053 -4.439 1.00 0.00 C ATOM 600 CD ARG A 38 -5.816 -24.566 -3.453 1.00 0.00 C ATOM 601 NE ARG A 38 -5.281 -25.751 -2.727 1.00 0.00 N ATOM 602 CZ ARG A 38 -6.042 -26.404 -1.891 1.00 0.00 C ATOM 603 NH1 ARG A 38 -7.165 -26.925 -2.304 1.00 0.00 N ATOM 604 NH2 ARG A 38 -5.683 -26.534 -0.643 1.00 0.00 N ATOM 0 H ARG A 38 -5.992 -20.982 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.680 -22.689 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.901 -22.215 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.428 -22.186 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.925 -24.499 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.769 -24.349 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.079 -23.781 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.729 -24.834 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.319 -26.053 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.447 -26.822 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.761 -27.435 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.806 -26.125 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.279 -27.045 0.009 1.00 0.00 H new ATOM 618 N GLY A 39 -3.264 -19.724 -4.012 1.00 0.00 N ATOM 619 CA GLY A 39 -2.220 -18.789 -4.512 1.00 0.00 C ATOM 620 C GLY A 39 -1.092 -18.688 -3.483 1.00 0.00 C ATOM 621 O GLY A 39 0.062 -18.526 -3.825 1.00 0.00 O ATOM 0 H GLY A 39 -4.163 -19.294 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.827 -19.142 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.653 -17.805 -4.691 1.00 0.00 H new ATOM 625 N GLY A 40 -1.417 -18.782 -2.221 1.00 0.00 N ATOM 626 CA GLY A 40 -0.361 -18.693 -1.172 1.00 0.00 C ATOM 627 C GLY A 40 0.525 -19.940 -1.232 1.00 0.00 C ATOM 628 O GLY A 40 1.713 -19.881 -0.980 1.00 0.00 O ATOM 0 H GLY A 40 -2.366 -18.916 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.242 -17.798 -1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.819 -18.606 -0.187 1.00 0.00 H new ATOM 632 N GLU A 41 -0.042 -21.066 -1.565 1.00 0.00 N ATOM 633 CA GLU A 41 0.765 -22.315 -1.642 1.00 0.00 C ATOM 634 C GLU A 41 1.629 -22.293 -2.904 1.00 0.00 C ATOM 635 O GLU A 41 2.841 -22.312 -2.838 1.00 0.00 O ATOM 636 CB GLU A 41 -0.162 -23.517 -1.680 1.00 0.00 C ATOM 637 CG GLU A 41 -1.229 -23.377 -0.592 1.00 0.00 C ATOM 638 CD GLU A 41 -1.159 -24.585 0.345 1.00 0.00 C ATOM 639 OE1 GLU A 41 -0.389 -24.534 1.290 1.00 0.00 O ATOM 640 OE2 GLU A 41 -1.878 -25.540 0.103 1.00 0.00 O ATOM 0 H GLU A 41 -1.031 -21.175 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 41 1.410 -22.383 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.635 -23.594 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.408 -24.434 -1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.072 -22.457 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.219 -23.310 -1.044 1.00 0.00 H new ATOM 647 N LEU A 42 1.015 -22.253 -4.054 1.00 0.00 N ATOM 648 CA LEU A 42 1.799 -22.228 -5.319 1.00 0.00 C ATOM 649 C LEU A 42 2.857 -21.125 -5.245 1.00 0.00 C ATOM 650 O LEU A 42 3.988 -21.308 -5.643 1.00 0.00 O ATOM 651 CB LEU A 42 0.852 -21.949 -6.487 1.00 0.00 C ATOM 652 CG LEU A 42 0.254 -23.264 -6.989 1.00 0.00 C ATOM 653 CD1 LEU A 42 -0.645 -22.986 -8.195 1.00 0.00 C ATOM 654 CD2 LEU A 42 1.381 -24.214 -7.401 1.00 0.00 C ATOM 0 H LEU A 42 0.002 -22.237 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 42 2.292 -23.189 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.057 -21.274 -6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.390 -21.451 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.334 -23.723 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.072 -23.922 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.448 -22.310 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.056 -22.527 -8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.954 -25.151 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.970 -23.757 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.022 -24.412 -6.542 1.00 0.00 H new ATOM 666 N TRP A 43 2.495 -19.978 -4.741 1.00 0.00 N ATOM 667 CA TRP A 43 3.471 -18.855 -4.641 1.00 0.00 C ATOM 668 C TRP A 43 4.792 -19.363 -4.043 1.00 0.00 C ATOM 669 O TRP A 43 5.824 -19.336 -4.684 1.00 0.00 O ATOM 670 CB TRP A 43 2.872 -17.759 -3.744 1.00 0.00 C ATOM 671 CG TRP A 43 3.958 -16.921 -3.144 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.348 -16.969 -1.849 1.00 0.00 C ATOM 673 CD2 TRP A 43 4.795 -15.919 -3.788 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.372 -16.058 -1.657 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.683 -15.386 -2.823 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.867 -15.425 -5.102 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.612 -14.399 -3.152 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.800 -14.431 -5.436 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.672 -13.918 -4.463 1.00 0.00 C ATOM 0 H TRP A 43 1.560 -19.768 -4.392 1.00 0.00 H new ATOM 0 HA TRP A 43 3.673 -18.449 -5.632 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.200 -17.130 -4.328 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.276 -18.214 -2.953 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.929 -17.613 -1.090 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.840 -15.902 -0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.201 -15.812 -5.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.281 -14.009 -2.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.847 -14.058 -6.449 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.388 -13.153 -4.727 1.00 0.00 H new ATOM 690 N ARG A 44 4.768 -19.803 -2.816 1.00 0.00 N ATOM 691 CA ARG A 44 6.019 -20.290 -2.166 1.00 0.00 C ATOM 692 C ARG A 44 6.635 -21.431 -2.980 1.00 0.00 C ATOM 693 O ARG A 44 7.809 -21.418 -3.297 1.00 0.00 O ATOM 694 CB ARG A 44 5.688 -20.793 -0.758 1.00 0.00 C ATOM 695 CG ARG A 44 6.982 -21.015 0.027 1.00 0.00 C ATOM 696 CD ARG A 44 6.805 -22.204 0.975 1.00 0.00 C ATOM 697 NE ARG A 44 6.912 -21.738 2.386 1.00 0.00 N ATOM 698 CZ ARG A 44 8.085 -21.594 2.939 1.00 0.00 C ATOM 699 NH1 ARG A 44 8.717 -22.634 3.409 1.00 0.00 N ATOM 700 NH2 ARG A 44 8.625 -20.409 3.022 1.00 0.00 N ATOM 0 H ARG A 44 3.933 -19.847 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 44 6.735 -19.470 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.058 -20.069 -0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.123 -21.723 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.808 -21.202 -0.659 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.235 -20.119 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.835 -22.673 0.809 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.564 -22.960 0.772 1.00 0.00 H new ATOM 0 HE ARG A 44 6.068 -21.531 2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.294 -23.560 3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.634 -22.521 3.841 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.130 -19.596 2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.542 -20.296 3.454 1.00 0.00 H new ATOM 714 N ALA A 45 5.861 -22.427 -3.307 1.00 0.00 N ATOM 715 CA ALA A 45 6.404 -23.580 -4.082 1.00 0.00 C ATOM 716 C ALA A 45 6.434 -23.258 -5.576 1.00 0.00 C ATOM 717 O ALA A 45 6.599 -24.132 -6.403 1.00 0.00 O ATOM 718 CB ALA A 45 5.506 -24.791 -3.861 1.00 0.00 C ATOM 0 H ALA A 45 4.871 -22.494 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 45 7.419 -23.785 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.895 -25.640 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.484 -25.039 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.496 -24.562 -4.201 1.00 0.00 H new ATOM 724 N MET A 46 6.273 -22.019 -5.934 1.00 0.00 N ATOM 725 CA MET A 46 6.290 -21.656 -7.375 1.00 0.00 C ATOM 726 C MET A 46 7.707 -21.847 -7.922 1.00 0.00 C ATOM 727 O MET A 46 8.149 -22.956 -8.146 1.00 0.00 O ATOM 728 CB MET A 46 5.846 -20.196 -7.535 1.00 0.00 C ATOM 729 CG MET A 46 5.850 -19.814 -9.017 1.00 0.00 C ATOM 730 SD MET A 46 6.692 -18.223 -9.240 1.00 0.00 S ATOM 731 CE MET A 46 6.053 -17.398 -7.758 1.00 0.00 C ATOM 0 H MET A 46 6.130 -21.240 -5.291 1.00 0.00 H new ATOM 0 HA MET A 46 5.605 -22.295 -7.932 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.848 -20.062 -7.118 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.515 -19.539 -6.979 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.352 -20.586 -9.600 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.827 -19.750 -9.388 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.816 -16.360 -7.993 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.152 -17.908 -7.418 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.807 -17.429 -6.971 1.00 0.00 H new ATOM 741 N LYS A 47 8.423 -20.782 -8.148 1.00 0.00 N ATOM 742 CA LYS A 47 9.794 -20.899 -8.685 1.00 0.00 C ATOM 743 C LYS A 47 10.767 -20.197 -7.740 1.00 0.00 C ATOM 744 O LYS A 47 11.369 -20.808 -6.878 1.00 0.00 O ATOM 745 CB LYS A 47 9.814 -20.208 -10.034 1.00 0.00 C ATOM 746 CG LYS A 47 9.722 -21.252 -11.149 1.00 0.00 C ATOM 747 CD LYS A 47 10.706 -20.894 -12.264 1.00 0.00 C ATOM 748 CE LYS A 47 10.070 -21.201 -13.621 1.00 0.00 C ATOM 749 NZ LYS A 47 9.485 -22.571 -13.598 1.00 0.00 N ATOM 0 H LYS A 47 8.107 -19.827 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 47 10.086 -21.945 -8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.981 -19.509 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.729 -19.626 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.948 -22.243 -10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.707 -21.290 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.971 -19.838 -12.205 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.629 -21.462 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.296 -20.467 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.818 -21.127 -14.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.549 -22.992 -14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.010 -23.161 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.487 -22.518 -13.310 1.00 0.00 H new ATOM 763 N ASP A 48 10.917 -18.911 -7.893 1.00 0.00 N ATOM 764 CA ASP A 48 11.839 -18.149 -7.007 1.00 0.00 C ATOM 765 C ASP A 48 11.146 -16.859 -6.564 1.00 0.00 C ATOM 766 O ASP A 48 10.347 -16.296 -7.286 1.00 0.00 O ATOM 767 CB ASP A 48 13.121 -17.805 -7.770 1.00 0.00 C ATOM 768 CG ASP A 48 13.420 -18.899 -8.797 1.00 0.00 C ATOM 769 OD1 ASP A 48 12.695 -18.979 -9.775 1.00 0.00 O ATOM 770 OD2 ASP A 48 14.369 -19.637 -8.588 1.00 0.00 O ATOM 0 H ASP A 48 10.437 -18.352 -8.598 1.00 0.00 H new ATOM 0 HA ASP A 48 12.094 -18.752 -6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.010 -16.843 -8.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.955 -17.708 -7.074 1.00 0.00 H new ATOM 775 N LYS A 49 11.438 -16.387 -5.384 1.00 0.00 N ATOM 776 CA LYS A 49 10.787 -15.135 -4.906 1.00 0.00 C ATOM 777 C LYS A 49 11.602 -13.926 -5.368 1.00 0.00 C ATOM 778 O LYS A 49 11.084 -12.836 -5.512 1.00 0.00 O ATOM 779 CB LYS A 49 10.715 -15.152 -3.377 1.00 0.00 C ATOM 780 CG LYS A 49 9.828 -16.313 -2.923 1.00 0.00 C ATOM 781 CD LYS A 49 10.063 -16.584 -1.434 1.00 0.00 C ATOM 782 CE LYS A 49 10.453 -18.050 -1.236 1.00 0.00 C ATOM 783 NZ LYS A 49 9.495 -18.698 -0.295 1.00 0.00 N ATOM 0 H LYS A 49 12.097 -16.812 -4.732 1.00 0.00 H new ATOM 0 HA LYS A 49 9.779 -15.068 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.715 -15.258 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.313 -14.208 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.779 -16.074 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.053 -17.206 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.851 -15.933 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.161 -16.357 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.447 -18.571 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.467 -18.117 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.761 -19.695 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.522 -18.206 0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.533 -18.646 -0.688 1.00 0.00 H new ATOM 797 N SER A 50 12.871 -14.108 -5.610 1.00 0.00 N ATOM 798 CA SER A 50 13.709 -12.965 -6.069 1.00 0.00 C ATOM 799 C SER A 50 13.188 -12.475 -7.420 1.00 0.00 C ATOM 800 O SER A 50 13.480 -11.377 -7.852 1.00 0.00 O ATOM 801 CB SER A 50 15.162 -13.420 -6.211 1.00 0.00 C ATOM 802 OG SER A 50 15.915 -12.930 -5.110 1.00 0.00 O ATOM 0 H SER A 50 13.363 -14.996 -5.510 1.00 0.00 H new ATOM 0 HA SER A 50 13.658 -12.155 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.213 -14.508 -6.246 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.581 -13.051 -7.147 1.00 0.00 H new ATOM 0 HG SER A 50 16.847 -13.221 -5.196 1.00 0.00 H new ATOM 808 N GLU A 51 12.404 -13.281 -8.086 1.00 0.00 N ATOM 809 CA GLU A 51 11.850 -12.867 -9.401 1.00 0.00 C ATOM 810 C GLU A 51 10.927 -11.672 -9.191 1.00 0.00 C ATOM 811 O GLU A 51 11.225 -10.553 -9.567 1.00 0.00 O ATOM 812 CB GLU A 51 11.072 -14.027 -9.998 1.00 0.00 C ATOM 813 CG GLU A 51 10.100 -13.524 -11.071 1.00 0.00 C ATOM 814 CD GLU A 51 10.072 -14.513 -12.238 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.630 -15.587 -12.092 1.00 0.00 O ATOM 816 OE2 GLU A 51 9.492 -14.180 -13.258 1.00 0.00 O ATOM 0 H GLU A 51 12.125 -14.210 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 51 12.655 -12.588 -10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.762 -14.750 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.521 -14.545 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.101 -13.414 -10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.407 -12.539 -11.422 1.00 0.00 H new ATOM 823 N TRP A 52 9.806 -11.910 -8.577 1.00 0.00 N ATOM 824 CA TRP A 52 8.845 -10.813 -8.316 1.00 0.00 C ATOM 825 C TRP A 52 9.454 -9.839 -7.323 1.00 0.00 C ATOM 826 O TRP A 52 9.584 -8.674 -7.600 1.00 0.00 O ATOM 827 CB TRP A 52 7.584 -11.403 -7.711 1.00 0.00 C ATOM 828 CG TRP A 52 7.134 -12.535 -8.538 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.363 -13.813 -8.248 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.380 -12.511 -9.772 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.797 -14.602 -9.231 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.172 -13.838 -10.197 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.863 -11.472 -10.551 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.465 -14.126 -11.366 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.153 -11.747 -11.718 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.949 -13.073 -12.130 1.00 0.00 C ATOM 0 H TRP A 52 9.513 -12.828 -8.242 1.00 0.00 H new ATOM 0 HA TRP A 52 8.612 -10.295 -9.247 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.777 -11.736 -6.691 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.803 -10.644 -7.656 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.903 -14.175 -7.385 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.836 -15.621 -9.242 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.015 -10.447 -10.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.318 -15.150 -11.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.757 -10.935 -12.309 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.395 -13.280 -13.034 1.00 0.00 H new ATOM 847 N GLU A 53 9.812 -10.320 -6.163 1.00 0.00 N ATOM 848 CA GLU A 53 10.406 -9.424 -5.122 1.00 0.00 C ATOM 849 C GLU A 53 11.278 -8.352 -5.780 1.00 0.00 C ATOM 850 O GLU A 53 11.188 -7.185 -5.455 1.00 0.00 O ATOM 851 CB GLU A 53 11.253 -10.255 -4.158 1.00 0.00 C ATOM 852 CG GLU A 53 10.346 -10.918 -3.119 1.00 0.00 C ATOM 853 CD GLU A 53 11.206 -11.646 -2.084 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.289 -12.080 -2.443 1.00 0.00 O ATOM 855 OE2 GLU A 53 10.770 -11.756 -0.951 1.00 0.00 O ATOM 0 H GLU A 53 9.719 -11.298 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 53 9.601 -8.935 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.809 -11.014 -4.708 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.987 -9.620 -3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.726 -10.167 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.670 -11.621 -3.606 1.00 0.00 H new ATOM 862 N ALA A 54 12.112 -8.727 -6.711 1.00 0.00 N ATOM 863 CA ALA A 54 12.967 -7.711 -7.386 1.00 0.00 C ATOM 864 C ALA A 54 12.072 -6.764 -8.185 1.00 0.00 C ATOM 865 O ALA A 54 12.195 -5.557 -8.109 1.00 0.00 O ATOM 866 CB ALA A 54 13.948 -8.408 -8.331 1.00 0.00 C ATOM 0 H ALA A 54 12.238 -9.687 -7.032 1.00 0.00 H new ATOM 0 HA ALA A 54 13.529 -7.149 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.572 -7.662 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.579 -9.090 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.393 -8.969 -9.083 1.00 0.00 H new ATOM 872 N LYS A 55 11.167 -7.308 -8.950 1.00 0.00 N ATOM 873 CA LYS A 55 10.252 -6.452 -9.757 1.00 0.00 C ATOM 874 C LYS A 55 9.558 -5.433 -8.851 1.00 0.00 C ATOM 875 O LYS A 55 9.351 -4.295 -9.225 1.00 0.00 O ATOM 876 CB LYS A 55 9.196 -7.332 -10.427 1.00 0.00 C ATOM 877 CG LYS A 55 9.869 -8.245 -11.452 1.00 0.00 C ATOM 878 CD LYS A 55 10.438 -7.399 -12.592 1.00 0.00 C ATOM 879 CE LYS A 55 9.894 -7.912 -13.927 1.00 0.00 C ATOM 880 NZ LYS A 55 10.921 -7.718 -14.990 1.00 0.00 N ATOM 0 H LYS A 55 11.021 -8.312 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 55 10.830 -5.924 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.676 -7.929 -9.678 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.446 -6.710 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.666 -8.818 -10.977 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.149 -8.964 -11.843 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.166 -6.353 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.527 -7.448 -12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.635 -8.968 -13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.980 -7.379 -14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.551 -8.067 -15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.147 -6.706 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.782 -8.246 -14.741 1.00 0.00 H new ATOM 894 N ALA A 56 9.195 -5.830 -7.662 1.00 0.00 N ATOM 895 CA ALA A 56 8.516 -4.889 -6.735 1.00 0.00 C ATOM 896 C ALA A 56 9.427 -3.687 -6.493 1.00 0.00 C ATOM 897 O ALA A 56 9.000 -2.550 -6.525 1.00 0.00 O ATOM 898 CB ALA A 56 8.240 -5.593 -5.405 1.00 0.00 C ATOM 0 H ALA A 56 9.341 -6.770 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 56 7.573 -4.558 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.742 -4.903 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.600 -6.458 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.182 -5.920 -4.964 1.00 0.00 H new ATOM 904 N ALA A 57 10.686 -3.935 -6.256 1.00 0.00 N ATOM 905 CA ALA A 57 11.638 -2.816 -6.016 1.00 0.00 C ATOM 906 C ALA A 57 11.513 -1.798 -7.148 1.00 0.00 C ATOM 907 O ALA A 57 11.432 -0.608 -6.922 1.00 0.00 O ATOM 908 CB ALA A 57 13.064 -3.365 -5.991 1.00 0.00 C ATOM 0 H ALA A 57 11.097 -4.868 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 57 11.410 -2.338 -5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.765 -2.549 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.157 -4.101 -5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.289 -3.837 -6.947 1.00 0.00 H new ATOM 914 N LYS A 58 11.503 -2.261 -8.367 1.00 0.00 N ATOM 915 CA LYS A 58 11.388 -1.327 -9.519 1.00 0.00 C ATOM 916 C LYS A 58 10.219 -0.368 -9.288 1.00 0.00 C ATOM 917 O LYS A 58 10.382 0.831 -9.334 1.00 0.00 O ATOM 918 CB LYS A 58 11.154 -2.125 -10.805 1.00 0.00 C ATOM 919 CG LYS A 58 12.495 -2.630 -11.344 1.00 0.00 C ATOM 920 CD LYS A 58 12.296 -3.213 -12.745 1.00 0.00 C ATOM 921 CE LYS A 58 13.645 -3.295 -13.462 1.00 0.00 C ATOM 922 NZ LYS A 58 14.418 -4.455 -12.935 1.00 0.00 N ATOM 0 H LYS A 58 11.570 -3.248 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 58 12.310 -0.754 -9.613 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.489 -2.966 -10.608 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.663 -1.499 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.216 -1.813 -11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.904 -3.389 -10.677 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.848 -4.204 -12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.607 -2.590 -13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.492 -3.404 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.205 -2.372 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.335 -4.511 -13.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.575 -4.333 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.884 -5.332 -13.100 1.00 0.00 H new ATOM 936 N ALA A 59 9.042 -0.877 -9.032 1.00 0.00 N ATOM 937 CA ALA A 59 7.890 0.040 -8.795 1.00 0.00 C ATOM 938 C ALA A 59 8.229 0.964 -7.634 1.00 0.00 C ATOM 939 O ALA A 59 7.791 2.086 -7.583 1.00 0.00 O ATOM 940 CB ALA A 59 6.633 -0.761 -8.438 1.00 0.00 C ATOM 0 H ALA A 59 8.831 -1.873 -8.977 1.00 0.00 H new ATOM 0 HA ALA A 59 7.700 0.615 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.802 -0.077 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.386 -1.435 -9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.816 -1.341 -7.534 1.00 0.00 H new ATOM 946 N LYS A 60 9.009 0.497 -6.702 1.00 0.00 N ATOM 947 CA LYS A 60 9.380 1.335 -5.541 1.00 0.00 C ATOM 948 C LYS A 60 10.079 2.596 -6.015 1.00 0.00 C ATOM 949 O LYS A 60 9.746 3.687 -5.618 1.00 0.00 O ATOM 950 CB LYS A 60 10.336 0.537 -4.672 1.00 0.00 C ATOM 951 CG LYS A 60 9.874 0.578 -3.215 1.00 0.00 C ATOM 952 CD LYS A 60 10.605 1.704 -2.478 1.00 0.00 C ATOM 953 CE LYS A 60 10.132 1.754 -1.025 1.00 0.00 C ATOM 954 NZ LYS A 60 8.838 2.491 -0.949 1.00 0.00 N ATOM 0 H LYS A 60 9.408 -0.442 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 60 8.486 1.613 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.381 -0.495 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.343 0.945 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.797 0.738 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.075 -0.378 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.682 1.538 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.412 2.659 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.010 0.743 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.880 2.247 -0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.516 2.525 0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.969 3.460 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.126 2.003 -1.529 1.00 0.00 H new ATOM 968 N ASP A 61 11.061 2.452 -6.847 1.00 0.00 N ATOM 969 CA ASP A 61 11.793 3.655 -7.336 1.00 0.00 C ATOM 970 C ASP A 61 10.881 4.487 -8.243 1.00 0.00 C ATOM 971 O ASP A 61 10.819 5.696 -8.139 1.00 0.00 O ATOM 972 CB ASP A 61 13.035 3.213 -8.115 1.00 0.00 C ATOM 973 CG ASP A 61 14.264 3.300 -7.209 1.00 0.00 C ATOM 974 OD1 ASP A 61 14.166 2.875 -6.070 1.00 0.00 O ATOM 975 OD2 ASP A 61 15.282 3.790 -7.669 1.00 0.00 O ATOM 0 H ASP A 61 11.393 1.559 -7.212 1.00 0.00 H new ATOM 0 HA ASP A 61 12.096 4.264 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.907 2.192 -8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.171 3.846 -8.992 1.00 0.00 H new ATOM 980 N ASP A 62 10.172 3.848 -9.128 1.00 0.00 N ATOM 981 CA ASP A 62 9.259 4.589 -10.043 1.00 0.00 C ATOM 982 C ASP A 62 8.013 5.036 -9.276 1.00 0.00 C ATOM 983 O ASP A 62 7.176 5.752 -9.789 1.00 0.00 O ATOM 984 CB ASP A 62 8.831 3.653 -11.172 1.00 0.00 C ATOM 985 CG ASP A 62 8.424 4.475 -12.396 1.00 0.00 C ATOM 986 OD1 ASP A 62 8.490 5.691 -12.318 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.052 3.874 -13.392 1.00 0.00 O ATOM 0 H ASP A 62 10.185 2.837 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 62 9.773 5.462 -10.445 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.649 2.980 -11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.997 3.031 -10.846 1.00 0.00 H new ATOM 992 N TYR A 63 7.872 4.590 -8.063 1.00 0.00 N ATOM 993 CA TYR A 63 6.672 4.948 -7.263 1.00 0.00 C ATOM 994 C TYR A 63 6.965 6.119 -6.320 1.00 0.00 C ATOM 995 O TYR A 63 6.179 7.030 -6.195 1.00 0.00 O ATOM 996 CB TYR A 63 6.281 3.722 -6.455 1.00 0.00 C ATOM 997 CG TYR A 63 5.249 4.087 -5.442 1.00 0.00 C ATOM 998 CD1 TYR A 63 3.956 4.416 -5.850 1.00 0.00 C ATOM 999 CD2 TYR A 63 5.582 4.069 -4.091 1.00 0.00 C ATOM 1000 CE1 TYR A 63 2.989 4.735 -4.898 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.616 4.382 -3.132 1.00 0.00 C ATOM 1002 CZ TYR A 63 3.316 4.717 -3.535 1.00 0.00 C ATOM 1003 OH TYR A 63 2.359 5.028 -2.591 1.00 0.00 O ATOM 0 H TYR A 63 8.543 3.987 -7.587 1.00 0.00 H new ATOM 0 HA TYR A 63 5.864 5.257 -7.927 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.894 2.948 -7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 63 7.159 3.308 -5.959 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.705 4.424 -6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.586 3.813 -3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.989 4.996 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.870 4.366 -2.082 1.00 0.00 H new ATOM 0 HH TYR A 63 2.751 4.966 -1.695 1.00 0.00 H new ATOM 1013 N ASP A 64 8.079 6.104 -5.650 1.00 0.00 N ATOM 1014 CA ASP A 64 8.399 7.217 -4.719 1.00 0.00 C ATOM 1015 C ASP A 64 8.732 8.457 -5.528 1.00 0.00 C ATOM 1016 O ASP A 64 8.479 9.575 -5.123 1.00 0.00 O ATOM 1017 CB ASP A 64 9.597 6.828 -3.883 1.00 0.00 C ATOM 1018 CG ASP A 64 9.611 7.639 -2.586 1.00 0.00 C ATOM 1019 OD1 ASP A 64 8.955 8.666 -2.545 1.00 0.00 O ATOM 1020 OD2 ASP A 64 10.279 7.219 -1.654 1.00 0.00 O ATOM 0 H ASP A 64 8.783 5.368 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 64 7.547 7.419 -4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.563 5.763 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.515 7.005 -4.443 1.00 0.00 H new ATOM 1025 N ARG A 65 9.317 8.256 -6.666 1.00 0.00 N ATOM 1026 CA ARG A 65 9.702 9.405 -7.523 1.00 0.00 C ATOM 1027 C ARG A 65 8.521 9.855 -8.391 1.00 0.00 C ATOM 1028 O ARG A 65 8.345 11.029 -8.653 1.00 0.00 O ATOM 1029 CB ARG A 65 10.854 8.987 -8.436 1.00 0.00 C ATOM 1030 CG ARG A 65 12.093 8.674 -7.595 1.00 0.00 C ATOM 1031 CD ARG A 65 12.940 7.619 -8.310 1.00 0.00 C ATOM 1032 NE ARG A 65 13.927 8.293 -9.201 1.00 0.00 N ATOM 1033 CZ ARG A 65 13.551 9.289 -9.957 1.00 0.00 C ATOM 1034 NH1 ARG A 65 12.632 9.107 -10.864 1.00 0.00 N ATOM 1035 NH2 ARG A 65 14.096 10.465 -9.806 1.00 0.00 N ATOM 0 H ARG A 65 9.548 7.338 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 65 10.004 10.232 -6.880 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.569 8.112 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.076 9.784 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.678 9.580 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.796 8.312 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.458 6.998 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.300 6.958 -8.894 1.00 0.00 H new ATOM 0 HE ARG A 65 14.896 7.976 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.207 8.187 -10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.338 9.884 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.816 10.606 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.802 11.243 -10.397 1.00 0.00 H new