USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 458 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 55 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0147) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= 0.0221 USER MOD Set 2.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 21 TYR OH : rot 30:sc= 0.262 USER MOD Set 3.2: A 23 LYS NZ :NH3+ -110:sc= 0.252 (180deg=0) USER MOD Single : A 1 ARG N :NH3+ 144:sc= 0.435 (180deg=-1.64!) USER MOD Single : A 4 TYR OH : rot -163:sc= 0.0343 USER MOD Single : A 6 ASN : amide:sc= -8.85! C(o=-8.8!,f=-6.9!) USER MOD Single : A 8 HIS : no HE2:sc= -11.9! C(o=-12!,f=-9.3!) USER MOD Single : A 10 THR OG1 : rot -87:sc= -0.273 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.739 K(o=-0.74,f=-3.1) USER MOD Single : A 24 SER OG : rot 180:sc= -3.1! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -4.36! USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.289 USER MOD Single : A 58 SER OG : rot 3:sc= 0.664! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.602 K(o=-0.6,f=-1.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.829 14.687 -1.943 1.00 0.00 N ATOM 2 CA ARG A 1 2.853 13.719 -1.459 1.00 0.00 C ATOM 3 C ARG A 1 2.441 13.194 -0.079 1.00 0.00 C ATOM 4 O ARG A 1 2.666 13.835 0.929 1.00 0.00 O ATOM 5 CB ARG A 1 4.206 14.427 -1.361 1.00 0.00 C ATOM 6 CG ARG A 1 5.237 13.681 -2.210 1.00 0.00 C ATOM 7 CD ARG A 1 6.189 14.687 -2.860 1.00 0.00 C ATOM 8 NE ARG A 1 7.596 14.226 -2.688 1.00 0.00 N ATOM 9 CZ ARG A 1 8.428 14.284 -3.692 1.00 0.00 C ATOM 10 NH1 ARG A 1 8.901 15.436 -4.082 1.00 0.00 N ATOM 11 NH2 ARG A 1 8.786 13.190 -4.306 1.00 0.00 N ATOM 0 H1 ARG A 1 2.296 15.451 -2.472 1.00 0.00 H new ATOM 0 H2 ARG A 1 1.155 14.197 -2.565 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.320 15.089 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 1 2.931 12.883 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.114 15.458 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.534 14.465 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.798 12.983 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.734 13.092 -2.977 1.00 0.00 H new ATOM 0 HD2 ARG A 1 5.957 14.791 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.060 15.670 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 1 7.908 13.865 -1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 1 8.621 16.291 -3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 1 9.551 15.481 -4.867 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.416 12.290 -4.001 1.00 0.00 H new ATOM 0 HH22 ARG A 1 9.436 13.235 -5.091 1.00 0.00 H new ATOM 27 N GLU A 2 1.832 12.038 -0.024 1.00 0.00 N ATOM 28 CA GLU A 2 1.407 11.488 1.297 1.00 0.00 C ATOM 29 C GLU A 2 1.577 9.966 1.320 1.00 0.00 C ATOM 30 O GLU A 2 0.632 9.237 1.546 1.00 0.00 O ATOM 31 CB GLU A 2 -0.063 11.842 1.540 1.00 0.00 C ATOM 32 CG GLU A 2 -0.401 11.643 3.017 1.00 0.00 C ATOM 33 CD GLU A 2 -0.760 12.991 3.645 1.00 0.00 C ATOM 34 OE1 GLU A 2 -1.909 13.388 3.532 1.00 0.00 O ATOM 35 OE2 GLU A 2 0.117 13.604 4.231 1.00 0.00 O ATOM 0 H GLU A 2 1.612 11.454 -0.831 1.00 0.00 H new ATOM 0 HA GLU A 2 2.028 11.922 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.251 12.876 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.705 11.215 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.235 10.948 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.448 11.201 3.539 1.00 0.00 H new ATOM 42 N CYS A 3 2.769 9.475 1.098 1.00 0.00 N ATOM 43 CA CYS A 3 2.984 7.999 1.114 1.00 0.00 C ATOM 44 C CYS A 3 4.433 7.694 1.463 1.00 0.00 C ATOM 45 O CYS A 3 4.700 6.835 2.275 1.00 0.00 O ATOM 46 CB CYS A 3 2.659 7.412 -0.260 1.00 0.00 C ATOM 47 SG CYS A 3 0.891 7.607 -0.613 1.00 0.00 S ATOM 0 H CYS A 3 3.601 10.033 0.907 1.00 0.00 H new ATOM 0 HA CYS A 3 2.328 7.553 1.862 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.249 7.913 -1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.930 6.357 -0.287 1.00 0.00 H new ATOM 52 N TYR A 4 5.357 8.390 0.848 1.00 0.00 N ATOM 53 CA TYR A 4 6.815 8.155 1.117 1.00 0.00 C ATOM 54 C TYR A 4 7.020 7.716 2.562 1.00 0.00 C ATOM 55 O TYR A 4 6.219 8.040 3.409 1.00 0.00 O ATOM 56 CB TYR A 4 7.603 9.447 0.908 1.00 0.00 C ATOM 57 CG TYR A 4 6.856 10.604 1.546 1.00 0.00 C ATOM 58 CD1 TYR A 4 7.085 10.923 2.891 1.00 0.00 C ATOM 59 CD2 TYR A 4 5.948 11.354 0.793 1.00 0.00 C ATOM 60 CE1 TYR A 4 6.404 11.993 3.483 1.00 0.00 C ATOM 61 CE2 TYR A 4 5.267 12.424 1.385 1.00 0.00 C ATOM 62 CZ TYR A 4 5.494 12.744 2.730 1.00 0.00 C ATOM 63 OH TYR A 4 4.822 13.800 3.311 1.00 0.00 O ATOM 0 H TYR A 4 5.163 9.120 0.163 1.00 0.00 H new ATOM 0 HA TYR A 4 7.163 7.381 0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 4 8.596 9.355 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.742 9.633 -0.157 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.787 10.343 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.772 11.108 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 4 6.581 12.239 4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.565 13.004 0.804 1.00 0.00 H new ATOM 0 HH TYR A 4 4.054 14.045 2.754 1.00 0.00 H new ATOM 73 N LEU A 5 8.111 7.015 2.829 1.00 0.00 N ATOM 74 CA LEU A 5 8.453 6.524 4.211 1.00 0.00 C ATOM 75 C LEU A 5 8.392 5.005 4.307 1.00 0.00 C ATOM 76 O LEU A 5 9.367 4.360 4.640 1.00 0.00 O ATOM 77 CB LEU A 5 7.472 7.048 5.235 1.00 0.00 C ATOM 78 CG LEU A 5 7.750 8.525 5.502 1.00 0.00 C ATOM 79 CD1 LEU A 5 6.432 9.248 5.788 1.00 0.00 C ATOM 80 CD2 LEU A 5 8.683 8.662 6.706 1.00 0.00 C ATOM 0 H LEU A 5 8.797 6.757 2.120 1.00 0.00 H new ATOM 0 HA LEU A 5 9.464 6.882 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.451 6.919 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.558 6.478 6.160 1.00 0.00 H new ATOM 0 HG LEU A 5 8.224 8.969 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.630 10.303 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.770 9.153 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.956 8.804 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.880 9.717 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.213 8.218 7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.622 8.149 6.499 1.00 0.00 H new ATOM 92 N ASN A 6 7.262 4.427 4.062 1.00 0.00 N ATOM 93 CA ASN A 6 7.161 2.948 4.192 1.00 0.00 C ATOM 94 C ASN A 6 8.351 2.284 3.492 1.00 0.00 C ATOM 95 O ASN A 6 8.705 2.661 2.394 1.00 0.00 O ATOM 96 CB ASN A 6 5.856 2.455 3.568 1.00 0.00 C ATOM 97 CG ASN A 6 5.321 1.278 4.382 1.00 0.00 C ATOM 98 OD1 ASN A 6 5.328 1.311 5.597 1.00 0.00 O ATOM 99 ND2 ASN A 6 4.855 0.232 3.760 1.00 0.00 N ATOM 0 H ASN A 6 6.406 4.904 3.779 1.00 0.00 H new ATOM 0 HA ASN A 6 7.171 2.684 5.249 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.122 3.261 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.025 2.151 2.535 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.496 -0.560 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.850 0.205 2.740 1.00 0.00 H new ATOM 106 N PRO A 7 8.928 1.306 4.141 1.00 0.00 N ATOM 107 CA PRO A 7 10.073 0.565 3.589 1.00 0.00 C ATOM 108 C PRO A 7 9.576 -0.422 2.531 1.00 0.00 C ATOM 109 O PRO A 7 10.342 -1.143 1.923 1.00 0.00 O ATOM 110 CB PRO A 7 10.651 -0.167 4.802 1.00 0.00 C ATOM 111 CG PRO A 7 9.507 -0.262 5.839 1.00 0.00 C ATOM 112 CD PRO A 7 8.496 0.841 5.476 1.00 0.00 C ATOM 0 HA PRO A 7 10.814 1.199 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.007 -1.159 4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.504 0.374 5.212 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.037 -1.245 5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.888 -0.122 6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.477 0.455 5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.513 1.652 6.204 1.00 0.00 H new ATOM 120 N HIS A 8 8.289 -0.451 2.311 1.00 0.00 N ATOM 121 CA HIS A 8 7.717 -1.376 1.301 1.00 0.00 C ATOM 122 C HIS A 8 7.638 -0.660 -0.046 1.00 0.00 C ATOM 123 O HIS A 8 6.670 -0.776 -0.768 1.00 0.00 O ATOM 124 CB HIS A 8 6.315 -1.791 1.750 1.00 0.00 C ATOM 125 CG HIS A 8 6.299 -3.251 2.108 1.00 0.00 C ATOM 126 ND1 HIS A 8 5.118 -3.940 2.333 1.00 0.00 N ATOM 127 CD2 HIS A 8 7.307 -4.164 2.296 1.00 0.00 C ATOM 128 CE1 HIS A 8 5.440 -5.209 2.639 1.00 0.00 C ATOM 129 NE2 HIS A 8 6.763 -5.400 2.633 1.00 0.00 N ATOM 0 H HIS A 8 7.607 0.133 2.794 1.00 0.00 H new ATOM 0 HA HIS A 8 8.346 -2.261 1.202 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.008 -1.194 2.609 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.597 -1.596 0.954 1.00 0.00 H new ATOM 0 HD1 HIS A 8 4.175 -3.554 2.277 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.362 -3.955 2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.718 -5.980 2.862 1.00 0.00 H new ATOM 137 N ASP A 9 8.659 0.076 -0.383 1.00 0.00 N ATOM 138 CA ASP A 9 8.675 0.812 -1.683 1.00 0.00 C ATOM 139 C ASP A 9 7.893 2.127 -1.562 1.00 0.00 C ATOM 140 O ASP A 9 8.306 3.147 -2.079 1.00 0.00 O ATOM 141 CB ASP A 9 8.049 -0.054 -2.779 1.00 0.00 C ATOM 142 CG ASP A 9 8.953 -0.045 -4.013 1.00 0.00 C ATOM 143 OD1 ASP A 9 8.878 0.907 -4.771 1.00 0.00 O ATOM 144 OD2 ASP A 9 9.704 -0.992 -4.179 1.00 0.00 O ATOM 0 H ASP A 9 9.493 0.202 0.191 1.00 0.00 H new ATOM 0 HA ASP A 9 9.710 1.036 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.916 -1.074 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.060 0.325 -3.037 1.00 0.00 H new ATOM 149 N THR A 10 6.768 2.120 -0.895 1.00 0.00 N ATOM 150 CA THR A 10 5.977 3.379 -0.768 1.00 0.00 C ATOM 151 C THR A 10 5.742 3.959 -2.166 1.00 0.00 C ATOM 152 O THR A 10 6.120 3.375 -3.162 1.00 0.00 O ATOM 153 CB THR A 10 6.764 4.398 0.076 1.00 0.00 C ATOM 154 OG1 THR A 10 7.965 3.798 0.533 1.00 0.00 O ATOM 155 CG2 THR A 10 5.932 4.866 1.283 1.00 0.00 C ATOM 0 H THR A 10 6.365 1.303 -0.436 1.00 0.00 H new ATOM 0 HA THR A 10 5.023 3.167 -0.285 1.00 0.00 H new ATOM 0 HB THR A 10 6.992 5.265 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.796 3.330 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.508 5.585 1.865 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.013 5.336 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.684 4.008 1.909 1.00 0.00 H new ATOM 163 N GLN A 11 5.134 5.107 -2.245 1.00 0.00 N ATOM 164 CA GLN A 11 4.886 5.737 -3.569 1.00 0.00 C ATOM 165 C GLN A 11 4.182 7.081 -3.360 1.00 0.00 C ATOM 166 O GLN A 11 2.983 7.201 -3.513 1.00 0.00 O ATOM 167 CB GLN A 11 4.018 4.819 -4.434 1.00 0.00 C ATOM 168 CG GLN A 11 3.490 5.599 -5.639 1.00 0.00 C ATOM 169 CD GLN A 11 3.057 4.622 -6.733 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.348 3.671 -6.470 1.00 0.00 O ATOM 171 NE2 GLN A 11 3.457 4.817 -7.961 1.00 0.00 N ATOM 0 H GLN A 11 4.796 5.640 -1.444 1.00 0.00 H new ATOM 0 HA GLN A 11 5.836 5.898 -4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.601 3.961 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.186 4.429 -3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.648 6.223 -5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.263 6.267 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.052 5.615 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.174 4.171 -8.698 1.00 0.00 H new ATOM 180 N THR A 12 4.931 8.084 -2.999 1.00 0.00 N ATOM 181 CA THR A 12 4.345 9.429 -2.757 1.00 0.00 C ATOM 182 C THR A 12 3.260 9.737 -3.790 1.00 0.00 C ATOM 183 O THR A 12 3.307 9.283 -4.916 1.00 0.00 O ATOM 184 CB THR A 12 5.452 10.477 -2.852 1.00 0.00 C ATOM 185 OG1 THR A 12 5.753 10.729 -4.218 1.00 0.00 O ATOM 186 CG2 THR A 12 6.699 9.962 -2.136 1.00 0.00 C ATOM 0 H THR A 12 5.940 8.027 -2.860 1.00 0.00 H new ATOM 0 HA THR A 12 3.894 9.448 -1.765 1.00 0.00 H new ATOM 0 HB THR A 12 5.120 11.402 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.462 11.403 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.491 10.708 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.465 9.773 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.032 9.037 -2.606 1.00 0.00 H new ATOM 194 N CYS A 13 2.282 10.509 -3.405 1.00 0.00 N ATOM 195 CA CYS A 13 1.183 10.863 -4.345 1.00 0.00 C ATOM 196 C CYS A 13 1.090 12.389 -4.462 1.00 0.00 C ATOM 197 O CYS A 13 0.246 13.004 -3.841 1.00 0.00 O ATOM 198 CB CYS A 13 -0.134 10.310 -3.800 1.00 0.00 C ATOM 199 SG CYS A 13 -1.524 11.013 -4.721 1.00 0.00 S ATOM 0 H CYS A 13 2.197 10.913 -2.472 1.00 0.00 H new ATOM 0 HA CYS A 13 1.381 10.436 -5.328 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.144 9.223 -3.882 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.229 10.550 -2.741 1.00 0.00 H new ATOM 204 N PRO A 14 1.967 12.952 -5.253 1.00 0.00 N ATOM 205 CA PRO A 14 2.017 14.409 -5.473 1.00 0.00 C ATOM 206 C PRO A 14 0.902 14.853 -6.422 1.00 0.00 C ATOM 207 O PRO A 14 -0.009 15.559 -6.037 1.00 0.00 O ATOM 208 CB PRO A 14 3.396 14.628 -6.101 1.00 0.00 C ATOM 209 CG PRO A 14 3.815 13.273 -6.719 1.00 0.00 C ATOM 210 CD PRO A 14 2.983 12.189 -6.006 1.00 0.00 C ATOM 0 HA PRO A 14 1.874 14.985 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.357 15.407 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.117 14.952 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.627 13.262 -7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.882 13.097 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.521 11.507 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.601 11.585 -5.342 1.00 0.00 H new ATOM 218 N SER A 15 0.965 14.450 -7.662 1.00 0.00 N ATOM 219 CA SER A 15 -0.092 14.855 -8.629 1.00 0.00 C ATOM 220 C SER A 15 -1.074 13.699 -8.828 1.00 0.00 C ATOM 221 O SER A 15 -0.685 12.579 -9.094 1.00 0.00 O ATOM 222 CB SER A 15 0.552 15.213 -9.969 1.00 0.00 C ATOM 223 OG SER A 15 -0.461 15.329 -10.961 1.00 0.00 O ATOM 0 H SER A 15 1.702 13.859 -8.046 1.00 0.00 H new ATOM 0 HA SER A 15 -0.626 15.722 -8.239 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.102 16.150 -9.883 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.272 14.447 -10.256 1.00 0.00 H new ATOM 0 HG SER A 15 -0.052 15.560 -11.821 1.00 0.00 H new ATOM 229 N GLY A 16 -2.346 13.962 -8.698 1.00 0.00 N ATOM 230 CA GLY A 16 -3.354 12.878 -8.878 1.00 0.00 C ATOM 231 C GLY A 16 -4.394 12.954 -7.758 1.00 0.00 C ATOM 232 O GLY A 16 -5.073 13.948 -7.597 1.00 0.00 O ATOM 0 H GLY A 16 -2.731 14.880 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.841 12.978 -9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.863 11.905 -8.867 1.00 0.00 H new ATOM 236 N GLN A 17 -4.522 11.911 -6.984 1.00 0.00 N ATOM 237 CA GLN A 17 -5.517 11.923 -5.876 1.00 0.00 C ATOM 238 C GLN A 17 -4.866 12.492 -4.613 1.00 0.00 C ATOM 239 O GLN A 17 -3.849 13.155 -4.674 1.00 0.00 O ATOM 240 CB GLN A 17 -5.992 10.494 -5.607 1.00 0.00 C ATOM 241 CG GLN A 17 -7.470 10.365 -5.980 1.00 0.00 C ATOM 242 CD GLN A 17 -8.287 11.393 -5.197 1.00 0.00 C ATOM 243 OE1 GLN A 17 -8.344 11.344 -3.984 1.00 0.00 O ATOM 244 NE2 GLN A 17 -8.927 12.329 -5.842 1.00 0.00 N ATOM 0 H GLN A 17 -3.980 11.051 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.368 12.543 -6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.397 9.787 -6.186 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.849 10.244 -4.556 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.600 10.521 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.825 9.358 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.880 12.371 -6.860 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.475 13.019 -5.328 1.00 0.00 H new ATOM 253 N GLU A 18 -5.442 12.241 -3.469 1.00 0.00 N ATOM 254 CA GLU A 18 -4.853 12.771 -2.207 1.00 0.00 C ATOM 255 C GLU A 18 -4.872 11.681 -1.132 1.00 0.00 C ATOM 256 O GLU A 18 -4.502 11.910 0.003 1.00 0.00 O ATOM 257 CB GLU A 18 -5.670 13.972 -1.728 1.00 0.00 C ATOM 258 CG GLU A 18 -7.040 13.498 -1.237 1.00 0.00 C ATOM 259 CD GLU A 18 -7.775 14.662 -0.570 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.675 15.766 -1.076 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.424 14.428 0.436 1.00 0.00 O ATOM 0 H GLU A 18 -6.294 11.692 -3.354 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.824 13.080 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.143 14.486 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.792 14.689 -2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.625 13.116 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.920 12.677 -0.530 1.00 0.00 H new ATOM 268 N ILE A 19 -5.297 10.495 -1.477 1.00 0.00 N ATOM 269 CA ILE A 19 -5.339 9.397 -0.477 1.00 0.00 C ATOM 270 C ILE A 19 -4.175 8.449 -0.729 1.00 0.00 C ATOM 271 O ILE A 19 -3.629 8.383 -1.812 1.00 0.00 O ATOM 272 CB ILE A 19 -6.649 8.627 -0.623 1.00 0.00 C ATOM 273 CG1 ILE A 19 -7.808 9.628 -0.842 1.00 0.00 C ATOM 274 CG2 ILE A 19 -6.880 7.770 0.629 1.00 0.00 C ATOM 275 CD1 ILE A 19 -8.744 9.680 0.375 1.00 0.00 C ATOM 0 H ILE A 19 -5.617 10.242 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.269 9.814 0.527 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.602 7.962 -1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.401 10.621 -1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.376 9.341 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.815 7.220 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.056 7.066 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.933 8.415 1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.547 10.393 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.170 8.692 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.180 9.992 1.254 1.00 0.00 H new ATOM 287 N CYS A 20 -3.805 7.707 0.265 1.00 0.00 N ATOM 288 CA CYS A 20 -2.684 6.744 0.097 1.00 0.00 C ATOM 289 C CYS A 20 -3.213 5.334 0.354 1.00 0.00 C ATOM 290 O CYS A 20 -3.605 4.999 1.452 1.00 0.00 O ATOM 291 CB CYS A 20 -1.567 7.076 1.097 1.00 0.00 C ATOM 292 SG CYS A 20 -0.023 6.266 0.597 1.00 0.00 S ATOM 0 H CYS A 20 -4.229 7.722 1.192 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.280 6.808 -0.913 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.421 8.155 1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.853 6.747 2.096 1.00 0.00 H new ATOM 297 N TYR A 21 -3.239 4.494 -0.639 1.00 0.00 N ATOM 298 CA TYR A 21 -3.758 3.121 -0.390 1.00 0.00 C ATOM 299 C TYR A 21 -2.569 2.196 -0.172 1.00 0.00 C ATOM 300 O TYR A 21 -1.472 2.471 -0.612 1.00 0.00 O ATOM 301 CB TYR A 21 -4.621 2.633 -1.567 1.00 0.00 C ATOM 302 CG TYR A 21 -3.768 2.070 -2.684 1.00 0.00 C ATOM 303 CD1 TYR A 21 -2.500 2.600 -2.955 1.00 0.00 C ATOM 304 CD2 TYR A 21 -4.257 1.004 -3.450 1.00 0.00 C ATOM 305 CE1 TYR A 21 -1.723 2.064 -3.990 1.00 0.00 C ATOM 306 CE2 TYR A 21 -3.481 0.468 -4.485 1.00 0.00 C ATOM 307 CZ TYR A 21 -2.213 0.998 -4.754 1.00 0.00 C ATOM 308 OH TYR A 21 -1.447 0.470 -5.773 1.00 0.00 O ATOM 0 H TYR A 21 -2.932 4.690 -1.592 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.396 3.124 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.316 1.869 -1.218 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.221 3.460 -1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.121 3.422 -2.366 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.235 0.595 -3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.746 2.473 -4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.860 -0.353 -5.075 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.497 0.573 -5.555 1.00 0.00 H new ATOM 318 N VAL A 22 -2.759 1.119 0.525 1.00 0.00 N ATOM 319 CA VAL A 22 -1.605 0.220 0.776 1.00 0.00 C ATOM 320 C VAL A 22 -1.889 -1.170 0.202 1.00 0.00 C ATOM 321 O VAL A 22 -2.678 -1.925 0.731 1.00 0.00 O ATOM 322 CB VAL A 22 -1.355 0.136 2.284 1.00 0.00 C ATOM 323 CG1 VAL A 22 -1.297 1.551 2.874 1.00 0.00 C ATOM 324 CG2 VAL A 22 -2.488 -0.643 2.946 1.00 0.00 C ATOM 0 H VAL A 22 -3.648 0.823 0.927 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.716 0.617 0.286 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.408 -0.373 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.119 1.491 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.488 2.109 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.243 2.060 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.310 -0.703 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.435 -0.134 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.530 -1.649 2.529 1.00 0.00 H new ATOM 334 N LYS A 23 -1.236 -1.512 -0.878 1.00 0.00 N ATOM 335 CA LYS A 23 -1.452 -2.853 -1.488 1.00 0.00 C ATOM 336 C LYS A 23 -0.301 -3.764 -1.069 1.00 0.00 C ATOM 337 O LYS A 23 0.855 -3.438 -1.250 1.00 0.00 O ATOM 338 CB LYS A 23 -1.477 -2.725 -3.013 1.00 0.00 C ATOM 339 CG LYS A 23 -2.907 -2.918 -3.521 1.00 0.00 C ATOM 340 CD LYS A 23 -2.890 -3.814 -4.762 1.00 0.00 C ATOM 341 CE LYS A 23 -2.929 -2.945 -6.020 1.00 0.00 C ATOM 342 NZ LYS A 23 -1.538 -2.597 -6.427 1.00 0.00 N ATOM 0 H LYS A 23 -0.563 -0.919 -1.363 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.402 -3.270 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.103 -1.746 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.818 -3.468 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.523 -3.368 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.352 -1.953 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.994 -4.434 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.745 -4.490 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.433 -3.477 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.502 -2.037 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.370 -1.585 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.863 -3.158 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.410 -2.805 -7.438 1.00 0.00 H new ATOM 356 N SER A 24 -0.600 -4.892 -0.493 1.00 0.00 N ATOM 357 CA SER A 24 0.491 -5.799 -0.051 1.00 0.00 C ATOM 358 C SER A 24 0.189 -7.239 -0.471 1.00 0.00 C ATOM 359 O SER A 24 -0.773 -7.835 -0.026 1.00 0.00 O ATOM 360 CB SER A 24 0.619 -5.731 1.470 1.00 0.00 C ATOM 361 OG SER A 24 1.951 -5.374 1.814 1.00 0.00 O ATOM 0 H SER A 24 -1.547 -5.224 -0.310 1.00 0.00 H new ATOM 0 HA SER A 24 1.424 -5.484 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.081 -4.999 1.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.363 -6.694 1.911 1.00 0.00 H new ATOM 0 HG SER A 24 2.036 -5.328 2.789 1.00 0.00 H new ATOM 367 N TRP A 25 1.004 -7.810 -1.321 1.00 0.00 N ATOM 368 CA TRP A 25 0.752 -9.219 -1.752 1.00 0.00 C ATOM 369 C TRP A 25 2.079 -9.939 -2.003 1.00 0.00 C ATOM 370 O TRP A 25 2.907 -9.488 -2.769 1.00 0.00 O ATOM 371 CB TRP A 25 -0.062 -9.212 -3.041 1.00 0.00 C ATOM 372 CG TRP A 25 0.756 -8.604 -4.119 1.00 0.00 C ATOM 373 CD1 TRP A 25 1.339 -9.257 -5.148 1.00 0.00 C ATOM 374 CD2 TRP A 25 1.094 -7.217 -4.266 1.00 0.00 C ATOM 375 NE1 TRP A 25 2.007 -8.331 -5.935 1.00 0.00 N ATOM 376 CE2 TRP A 25 1.884 -7.053 -5.423 1.00 0.00 C ATOM 377 CE3 TRP A 25 0.779 -6.097 -3.500 1.00 0.00 C ATOM 378 CZ2 TRP A 25 2.348 -5.793 -5.808 1.00 0.00 C ATOM 379 CZ3 TRP A 25 1.236 -4.841 -3.868 1.00 0.00 C ATOM 380 CH2 TRP A 25 2.023 -4.677 -5.024 1.00 0.00 C ATOM 0 H TRP A 25 1.826 -7.367 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 25 0.205 -9.739 -0.966 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -0.349 -10.228 -3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.984 -8.647 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.293 -10.321 -5.327 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.523 -8.563 -6.783 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.174 -6.208 -2.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.949 -5.680 -6.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 0.986 -3.982 -3.263 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.375 -3.696 -5.306 1.00 0.00 H new ATOM 391 N CYS A 26 2.278 -11.065 -1.373 1.00 0.00 N ATOM 392 CA CYS A 26 3.542 -11.828 -1.583 1.00 0.00 C ATOM 393 C CYS A 26 3.273 -12.979 -2.552 1.00 0.00 C ATOM 394 O CYS A 26 2.251 -13.028 -3.208 1.00 0.00 O ATOM 395 CB CYS A 26 4.026 -12.400 -0.248 1.00 0.00 C ATOM 396 SG CYS A 26 5.626 -11.679 0.183 1.00 0.00 S ATOM 0 H CYS A 26 1.619 -11.490 -0.721 1.00 0.00 H new ATOM 0 HA CYS A 26 4.305 -11.165 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.298 -12.187 0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.112 -13.484 -0.316 1.00 0.00 H new ATOM 401 N ASN A 27 4.179 -13.908 -2.637 1.00 0.00 N ATOM 402 CA ASN A 27 3.981 -15.067 -3.552 1.00 0.00 C ATOM 403 C ASN A 27 3.866 -16.347 -2.721 1.00 0.00 C ATOM 404 O ASN A 27 3.865 -17.442 -3.245 1.00 0.00 O ATOM 405 CB ASN A 27 5.180 -15.177 -4.493 1.00 0.00 C ATOM 406 CG ASN A 27 4.784 -14.690 -5.888 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.418 -15.478 -6.739 1.00 0.00 O ATOM 408 ND2 ASN A 27 4.842 -13.415 -6.163 1.00 0.00 N ATOM 0 H ASN A 27 5.053 -13.917 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 27 3.072 -14.926 -4.136 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.010 -14.583 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.523 -16.210 -4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.581 -13.081 -7.091 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.149 -12.753 -5.450 1.00 0.00 H new ATOM 415 N ALA A 28 3.781 -16.208 -1.424 1.00 0.00 N ATOM 416 CA ALA A 28 3.674 -17.398 -0.530 1.00 0.00 C ATOM 417 C ALA A 28 5.056 -18.004 -0.303 1.00 0.00 C ATOM 418 O ALA A 28 5.237 -18.889 0.509 1.00 0.00 O ATOM 419 CB ALA A 28 2.732 -18.439 -1.145 1.00 0.00 C ATOM 0 H ALA A 28 3.781 -15.310 -0.941 1.00 0.00 H new ATOM 0 HA ALA A 28 3.265 -17.084 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.662 -19.302 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.742 -18.002 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.121 -18.754 -2.113 1.00 0.00 H new ATOM 425 N TRP A 29 6.029 -17.530 -1.017 1.00 0.00 N ATOM 426 CA TRP A 29 7.407 -18.058 -0.865 1.00 0.00 C ATOM 427 C TRP A 29 8.407 -16.898 -0.914 1.00 0.00 C ATOM 428 O TRP A 29 9.569 -17.084 -1.215 1.00 0.00 O ATOM 429 CB TRP A 29 7.698 -19.013 -2.009 1.00 0.00 C ATOM 430 CG TRP A 29 6.703 -20.122 -2.012 1.00 0.00 C ATOM 431 CD1 TRP A 29 5.367 -20.004 -2.194 1.00 0.00 C ATOM 432 CD2 TRP A 29 6.969 -21.524 -1.830 1.00 0.00 C ATOM 433 NE1 TRP A 29 4.799 -21.268 -2.128 1.00 0.00 N ATOM 434 CE2 TRP A 29 5.756 -22.240 -1.907 1.00 0.00 C ATOM 435 CE3 TRP A 29 8.152 -22.220 -1.607 1.00 0.00 C ATOM 436 CZ2 TRP A 29 5.727 -23.629 -1.764 1.00 0.00 C ATOM 437 CZ3 TRP A 29 8.138 -23.619 -1.462 1.00 0.00 C ATOM 438 CH2 TRP A 29 6.924 -24.323 -1.540 1.00 0.00 C ATOM 0 H TRP A 29 5.928 -16.788 -1.710 1.00 0.00 H new ATOM 0 HA TRP A 29 7.498 -18.578 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 29 7.662 -18.478 -2.958 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.705 -19.417 -1.909 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.833 -19.081 -2.362 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.802 -21.456 -2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 29 9.087 -21.683 -1.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.791 -24.164 -1.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.061 -24.153 -1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 29 6.913 -25.397 -1.428 1.00 0.00 H new ATOM 449 N CYS A 30 7.959 -15.700 -0.637 1.00 0.00 N ATOM 450 CA CYS A 30 8.875 -14.517 -0.675 1.00 0.00 C ATOM 451 C CYS A 30 9.810 -14.475 0.538 1.00 0.00 C ATOM 452 O CYS A 30 10.177 -13.410 0.988 1.00 0.00 O ATOM 453 CB CYS A 30 8.054 -13.235 -0.705 1.00 0.00 C ATOM 454 SG CYS A 30 6.791 -13.279 0.588 1.00 0.00 S ATOM 0 H CYS A 30 6.994 -15.488 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 30 9.485 -14.606 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.705 -12.373 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.583 -13.118 -1.681 1.00 0.00 H new ATOM 459 N SER A 31 10.204 -15.595 1.074 1.00 0.00 N ATOM 460 CA SER A 31 11.118 -15.570 2.252 1.00 0.00 C ATOM 461 C SER A 31 12.276 -14.613 1.958 1.00 0.00 C ATOM 462 O SER A 31 13.274 -14.989 1.378 1.00 0.00 O ATOM 463 CB SER A 31 11.666 -16.975 2.505 1.00 0.00 C ATOM 464 OG SER A 31 12.817 -16.890 3.335 1.00 0.00 O ATOM 0 H SER A 31 9.935 -16.524 0.750 1.00 0.00 H new ATOM 0 HA SER A 31 10.575 -15.234 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.905 -17.594 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.920 -17.454 1.559 1.00 0.00 H new ATOM 0 HG SER A 31 13.169 -17.790 3.500 1.00 0.00 H new ATOM 470 N SER A 32 12.135 -13.372 2.341 1.00 0.00 N ATOM 471 CA SER A 32 13.207 -12.372 2.069 1.00 0.00 C ATOM 472 C SER A 32 13.763 -12.583 0.669 1.00 0.00 C ATOM 473 O SER A 32 14.803 -13.181 0.476 1.00 0.00 O ATOM 474 CB SER A 32 14.330 -12.513 3.080 1.00 0.00 C ATOM 475 OG SER A 32 13.861 -13.221 4.219 1.00 0.00 O ATOM 0 H SER A 32 11.319 -13.007 2.833 1.00 0.00 H new ATOM 0 HA SER A 32 12.779 -11.373 2.149 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.172 -13.041 2.632 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.693 -11.528 3.375 1.00 0.00 H new ATOM 0 HG SER A 32 14.588 -13.312 4.870 1.00 0.00 H new ATOM 481 N ARG A 33 13.070 -12.087 -0.302 1.00 0.00 N ATOM 482 CA ARG A 33 13.531 -12.234 -1.712 1.00 0.00 C ATOM 483 C ARG A 33 13.203 -10.959 -2.493 1.00 0.00 C ATOM 484 O ARG A 33 14.066 -10.154 -2.779 1.00 0.00 O ATOM 485 CB ARG A 33 12.829 -13.429 -2.361 1.00 0.00 C ATOM 486 CG ARG A 33 13.842 -14.234 -3.177 1.00 0.00 C ATOM 487 CD ARG A 33 14.413 -13.356 -4.292 1.00 0.00 C ATOM 488 NE ARG A 33 15.070 -14.216 -5.316 1.00 0.00 N ATOM 489 CZ ARG A 33 14.525 -15.349 -5.663 1.00 0.00 C ATOM 490 NH1 ARG A 33 13.229 -15.438 -5.792 1.00 0.00 N ATOM 491 NH2 ARG A 33 15.276 -16.395 -5.880 1.00 0.00 N ATOM 0 H ARG A 33 12.193 -11.579 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 33 14.608 -12.399 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.379 -14.060 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.020 -13.084 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.645 -14.588 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.363 -15.116 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.617 -12.770 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.133 -12.649 -3.880 1.00 0.00 H new ATOM 0 HE ARG A 33 15.946 -13.919 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.642 -14.621 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.803 -16.324 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.289 -16.326 -5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.850 -17.281 -6.151 1.00 0.00 H new ATOM 505 N GLY A 34 11.958 -10.771 -2.839 1.00 0.00 N ATOM 506 CA GLY A 34 11.569 -9.551 -3.601 1.00 0.00 C ATOM 507 C GLY A 34 10.071 -9.298 -3.417 1.00 0.00 C ATOM 508 O GLY A 34 9.345 -9.088 -4.366 1.00 0.00 O ATOM 0 H GLY A 34 11.193 -11.411 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.141 -8.692 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.801 -9.679 -4.658 1.00 0.00 H new ATOM 512 N LYS A 35 9.607 -9.322 -2.198 1.00 0.00 N ATOM 513 CA LYS A 35 8.157 -9.090 -1.945 1.00 0.00 C ATOM 514 C LYS A 35 7.666 -7.917 -2.796 1.00 0.00 C ATOM 515 O LYS A 35 8.380 -6.962 -3.028 1.00 0.00 O ATOM 516 CB LYS A 35 7.945 -8.763 -0.464 1.00 0.00 C ATOM 517 CG LYS A 35 8.490 -9.905 0.397 1.00 0.00 C ATOM 518 CD LYS A 35 8.255 -9.587 1.875 1.00 0.00 C ATOM 519 CE LYS A 35 8.060 -10.890 2.653 1.00 0.00 C ATOM 520 NZ LYS A 35 7.810 -10.578 4.089 1.00 0.00 N ATOM 0 H LYS A 35 10.170 -9.493 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 35 7.597 -9.988 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.450 -7.831 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.884 -8.616 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.998 -10.841 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.555 -10.041 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.103 -9.034 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.377 -8.950 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.221 -11.451 2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.944 -11.520 2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.677 -11.463 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.623 -10.060 4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.954 -9.993 4.173 1.00 0.00 H new ATOM 534 N VAL A 36 6.446 -7.978 -3.256 1.00 0.00 N ATOM 535 CA VAL A 36 5.900 -6.863 -4.083 1.00 0.00 C ATOM 536 C VAL A 36 4.827 -6.151 -3.266 1.00 0.00 C ATOM 537 O VAL A 36 3.679 -6.087 -3.650 1.00 0.00 O ATOM 538 CB VAL A 36 5.275 -7.410 -5.373 1.00 0.00 C ATOM 539 CG1 VAL A 36 5.683 -6.522 -6.551 1.00 0.00 C ATOM 540 CG2 VAL A 36 5.759 -8.841 -5.629 1.00 0.00 C ATOM 0 H VAL A 36 5.802 -8.753 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 36 6.703 -6.176 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 36 4.190 -7.413 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.240 -6.909 -7.469 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.331 -5.505 -6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.769 -6.519 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.309 -9.219 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.844 -8.846 -5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.469 -9.478 -4.794 1.00 0.00 H new ATOM 550 N LEU A 37 5.187 -5.647 -2.123 1.00 0.00 N ATOM 551 CA LEU A 37 4.193 -4.974 -1.261 1.00 0.00 C ATOM 552 C LEU A 37 4.505 -3.478 -1.168 1.00 0.00 C ATOM 553 O LEU A 37 5.423 -3.074 -0.484 1.00 0.00 O ATOM 554 CB LEU A 37 4.291 -5.600 0.124 1.00 0.00 C ATOM 555 CG LEU A 37 3.599 -6.967 0.134 1.00 0.00 C ATOM 556 CD1 LEU A 37 4.142 -7.832 -1.007 1.00 0.00 C ATOM 557 CD2 LEU A 37 3.859 -7.659 1.471 1.00 0.00 C ATOM 0 H LEU A 37 6.136 -5.675 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 37 3.191 -5.092 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.337 -5.711 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.829 -4.944 0.862 1.00 0.00 H new ATOM 0 HG LEU A 37 2.526 -6.829 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.647 -8.803 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.951 -7.339 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.216 -7.971 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.367 -8.632 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.932 -7.794 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.464 -7.046 2.281 1.00 0.00 H new ATOM 569 N GLU A 38 3.751 -2.649 -1.842 1.00 0.00 N ATOM 570 CA GLU A 38 4.015 -1.181 -1.769 1.00 0.00 C ATOM 571 C GLU A 38 2.694 -0.412 -1.667 1.00 0.00 C ATOM 572 O GLU A 38 1.645 -0.899 -2.045 1.00 0.00 O ATOM 573 CB GLU A 38 4.776 -0.725 -3.017 1.00 0.00 C ATOM 574 CG GLU A 38 4.149 -1.352 -4.264 1.00 0.00 C ATOM 575 CD GLU A 38 3.358 -0.289 -5.030 1.00 0.00 C ATOM 576 OE1 GLU A 38 2.693 0.505 -4.385 1.00 0.00 O ATOM 577 OE2 GLU A 38 3.432 -0.287 -6.247 1.00 0.00 O ATOM 0 H GLU A 38 2.968 -2.923 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 38 4.617 -0.977 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.750 0.362 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.824 -1.014 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.926 -1.772 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.492 -2.174 -3.979 1.00 0.00 H new ATOM 584 N PHE A 39 2.741 0.796 -1.165 1.00 0.00 N ATOM 585 CA PHE A 39 1.504 1.605 -1.044 1.00 0.00 C ATOM 586 C PHE A 39 1.636 2.844 -1.934 1.00 0.00 C ATOM 587 O PHE A 39 2.724 3.335 -2.159 1.00 0.00 O ATOM 588 CB PHE A 39 1.309 2.012 0.420 1.00 0.00 C ATOM 589 CG PHE A 39 1.537 0.806 1.305 1.00 0.00 C ATOM 590 CD1 PHE A 39 1.243 -0.477 0.826 1.00 0.00 C ATOM 591 CD2 PHE A 39 2.047 0.967 2.601 1.00 0.00 C ATOM 592 CE1 PHE A 39 1.455 -1.599 1.637 1.00 0.00 C ATOM 593 CE2 PHE A 39 2.260 -0.157 3.414 1.00 0.00 C ATOM 594 CZ PHE A 39 1.964 -1.439 2.931 1.00 0.00 C ATOM 0 H PHE A 39 3.590 1.254 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 39 0.637 1.027 -1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.004 2.809 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.303 2.404 0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.851 -0.602 -0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.276 1.955 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.226 -2.586 1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.652 -0.034 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.129 -2.303 3.557 1.00 0.00 H new ATOM 604 N GLY A 40 0.548 3.347 -2.462 1.00 0.00 N ATOM 605 CA GLY A 40 0.645 4.538 -3.355 1.00 0.00 C ATOM 606 C GLY A 40 -0.505 5.513 -3.090 1.00 0.00 C ATOM 607 O GLY A 40 -0.839 5.802 -1.962 1.00 0.00 O ATOM 0 H GLY A 40 -0.395 2.987 -2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.598 5.041 -3.195 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.624 4.219 -4.397 1.00 0.00 H new ATOM 611 N CYS A 41 -1.100 6.035 -4.131 1.00 0.00 N ATOM 612 CA CYS A 41 -2.205 7.010 -3.957 1.00 0.00 C ATOM 613 C CYS A 41 -3.541 6.291 -4.083 1.00 0.00 C ATOM 614 O CYS A 41 -3.612 5.098 -4.301 1.00 0.00 O ATOM 615 CB CYS A 41 -2.095 8.070 -5.059 1.00 0.00 C ATOM 616 SG CYS A 41 -2.951 9.594 -4.587 1.00 0.00 S ATOM 0 H CYS A 41 -0.862 5.823 -5.100 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.140 7.478 -2.975 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.045 8.286 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.521 7.682 -5.985 1.00 0.00 H new ATOM 621 N ALA A 42 -4.594 7.023 -3.943 1.00 0.00 N ATOM 622 CA ALA A 42 -5.952 6.431 -4.043 1.00 0.00 C ATOM 623 C ALA A 42 -6.999 7.504 -3.748 1.00 0.00 C ATOM 624 O ALA A 42 -6.683 8.645 -3.473 1.00 0.00 O ATOM 625 CB ALA A 42 -6.092 5.300 -3.024 1.00 0.00 C ATOM 0 H ALA A 42 -4.577 8.026 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.102 6.039 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.089 4.865 -3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.346 4.532 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.941 5.695 -2.019 1.00 0.00 H new ATOM 631 N ALA A 43 -8.243 7.135 -3.805 1.00 0.00 N ATOM 632 CA ALA A 43 -9.338 8.103 -3.534 1.00 0.00 C ATOM 633 C ALA A 43 -10.024 7.735 -2.216 1.00 0.00 C ATOM 634 O ALA A 43 -10.289 8.579 -1.383 1.00 0.00 O ATOM 635 CB ALA A 43 -10.355 8.043 -4.672 1.00 0.00 C ATOM 0 H ALA A 43 -8.554 6.190 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.929 9.111 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.160 8.751 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.865 8.299 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.766 7.036 -4.740 1.00 0.00 H new ATOM 641 N THR A 44 -10.312 6.478 -2.019 1.00 0.00 N ATOM 642 CA THR A 44 -10.976 6.053 -0.759 1.00 0.00 C ATOM 643 C THR A 44 -10.565 4.615 -0.433 1.00 0.00 C ATOM 644 O THR A 44 -10.304 3.821 -1.315 1.00 0.00 O ATOM 645 CB THR A 44 -12.495 6.128 -0.930 1.00 0.00 C ATOM 646 OG1 THR A 44 -13.123 5.361 0.088 1.00 0.00 O ATOM 647 CG2 THR A 44 -12.883 5.574 -2.302 1.00 0.00 C ATOM 0 H THR A 44 -10.115 5.726 -2.680 1.00 0.00 H new ATOM 0 HA THR A 44 -10.674 6.712 0.055 1.00 0.00 H new ATOM 0 HB THR A 44 -12.819 7.166 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.096 5.409 -0.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.965 5.628 -2.423 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.401 6.163 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.560 4.536 -2.380 1.00 0.00 H new ATOM 655 N CYS A 45 -10.495 4.285 0.828 1.00 0.00 N ATOM 656 CA CYS A 45 -10.100 2.922 1.241 1.00 0.00 C ATOM 657 C CYS A 45 -10.688 1.881 0.275 1.00 0.00 C ATOM 658 O CYS A 45 -11.891 1.712 0.226 1.00 0.00 O ATOM 659 CB CYS A 45 -10.640 2.675 2.647 1.00 0.00 C ATOM 660 SG CYS A 45 -9.919 1.161 3.322 1.00 0.00 S ATOM 0 H CYS A 45 -10.700 4.920 1.599 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.014 2.832 1.227 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -10.402 3.521 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.726 2.591 2.620 1.00 0.00 H new ATOM 665 N PRO A 46 -9.838 1.211 -0.476 1.00 0.00 N ATOM 666 CA PRO A 46 -10.282 0.195 -1.443 1.00 0.00 C ATOM 667 C PRO A 46 -10.521 -1.144 -0.742 1.00 0.00 C ATOM 668 O PRO A 46 -9.680 -1.636 -0.017 1.00 0.00 O ATOM 669 CB PRO A 46 -9.114 0.103 -2.429 1.00 0.00 C ATOM 670 CG PRO A 46 -7.865 0.638 -1.687 1.00 0.00 C ATOM 671 CD PRO A 46 -8.369 1.393 -0.444 1.00 0.00 C ATOM 0 HA PRO A 46 -11.223 0.448 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.961 -0.926 -2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.315 0.692 -3.324 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.207 -0.182 -1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.287 1.300 -2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.938 0.986 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.098 2.448 -0.482 1.00 0.00 H new ATOM 679 N SER A 47 -11.667 -1.736 -0.948 1.00 0.00 N ATOM 680 CA SER A 47 -11.963 -3.039 -0.291 1.00 0.00 C ATOM 681 C SER A 47 -11.872 -4.165 -1.322 1.00 0.00 C ATOM 682 O SER A 47 -12.803 -4.921 -1.515 1.00 0.00 O ATOM 683 CB SER A 47 -13.373 -3.002 0.301 1.00 0.00 C ATOM 684 OG SER A 47 -13.403 -2.084 1.386 1.00 0.00 O ATOM 0 H SER A 47 -12.411 -1.372 -1.544 1.00 0.00 H new ATOM 0 HA SER A 47 -11.239 -3.217 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.092 -2.705 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.663 -3.996 0.642 1.00 0.00 H new ATOM 0 HG SER A 47 -14.306 -2.057 1.767 1.00 0.00 H new ATOM 690 N VAL A 48 -10.754 -4.286 -1.983 1.00 0.00 N ATOM 691 CA VAL A 48 -10.601 -5.364 -2.998 1.00 0.00 C ATOM 692 C VAL A 48 -9.695 -6.462 -2.442 1.00 0.00 C ATOM 693 O VAL A 48 -8.559 -6.219 -2.084 1.00 0.00 O ATOM 694 CB VAL A 48 -9.984 -4.786 -4.260 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.037 -5.826 -5.381 1.00 0.00 C ATOM 696 CG2 VAL A 48 -10.756 -3.535 -4.683 1.00 0.00 C ATOM 0 H VAL A 48 -9.939 -3.684 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.579 -5.785 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.945 -4.520 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.594 -5.409 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.481 -6.714 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.074 -6.097 -5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.312 -3.122 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.796 -3.797 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.711 -2.793 -3.886 1.00 0.00 H new ATOM 706 N ASN A 49 -10.187 -7.667 -2.359 1.00 0.00 N ATOM 707 CA ASN A 49 -9.359 -8.772 -1.825 1.00 0.00 C ATOM 708 C ASN A 49 -8.989 -9.734 -2.954 1.00 0.00 C ATOM 709 O ASN A 49 -8.845 -10.921 -2.746 1.00 0.00 O ATOM 710 CB ASN A 49 -10.140 -9.526 -0.746 1.00 0.00 C ATOM 711 CG ASN A 49 -9.170 -10.352 0.101 1.00 0.00 C ATOM 712 OD1 ASN A 49 -7.983 -10.091 0.115 1.00 0.00 O ATOM 713 ND2 ASN A 49 -9.628 -11.344 0.815 1.00 0.00 N ATOM 0 H ASN A 49 -11.131 -7.930 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.448 -8.359 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.682 -8.822 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.882 -10.177 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.990 -11.900 1.384 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.624 -11.563 0.804 1.00 0.00 H new ATOM 720 N THR A 50 -8.829 -9.231 -4.148 1.00 0.00 N ATOM 721 CA THR A 50 -8.463 -10.119 -5.287 1.00 0.00 C ATOM 722 C THR A 50 -7.032 -10.622 -5.089 1.00 0.00 C ATOM 723 O THR A 50 -6.090 -10.049 -5.599 1.00 0.00 O ATOM 724 CB THR A 50 -8.553 -9.332 -6.597 1.00 0.00 C ATOM 725 OG1 THR A 50 -9.233 -8.107 -6.365 1.00 0.00 O ATOM 726 CG2 THR A 50 -9.317 -10.152 -7.636 1.00 0.00 C ATOM 0 H THR A 50 -8.936 -8.244 -4.383 1.00 0.00 H new ATOM 0 HA THR A 50 -9.147 -10.966 -5.328 1.00 0.00 H new ATOM 0 HB THR A 50 -7.549 -9.127 -6.967 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.290 -7.601 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.380 -9.590 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.794 -11.092 -7.814 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.322 -10.359 -7.269 1.00 0.00 H new ATOM 734 N GLY A 51 -6.857 -11.678 -4.343 1.00 0.00 N ATOM 735 CA GLY A 51 -5.480 -12.197 -4.109 1.00 0.00 C ATOM 736 C GLY A 51 -4.562 -11.029 -3.745 1.00 0.00 C ATOM 737 O GLY A 51 -3.364 -11.083 -3.939 1.00 0.00 O ATOM 0 H GLY A 51 -7.604 -12.202 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.487 -12.934 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.111 -12.701 -5.002 1.00 0.00 H new ATOM 741 N THR A 52 -5.119 -9.970 -3.222 1.00 0.00 N ATOM 742 CA THR A 52 -4.286 -8.793 -2.848 1.00 0.00 C ATOM 743 C THR A 52 -4.743 -8.254 -1.490 1.00 0.00 C ATOM 744 O THR A 52 -5.914 -8.262 -1.171 1.00 0.00 O ATOM 745 CB THR A 52 -4.452 -7.702 -3.910 1.00 0.00 C ATOM 746 OG1 THR A 52 -3.831 -8.122 -5.117 1.00 0.00 O ATOM 747 CG2 THR A 52 -3.800 -6.407 -3.421 1.00 0.00 C ATOM 0 H THR A 52 -6.117 -9.870 -3.038 1.00 0.00 H new ATOM 0 HA THR A 52 -3.239 -9.090 -2.786 1.00 0.00 H new ATOM 0 HB THR A 52 -5.513 -7.526 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.380 -8.812 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.919 -5.632 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.277 -6.087 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.739 -6.579 -3.242 1.00 0.00 H new ATOM 755 N GLU A 53 -3.826 -7.782 -0.688 1.00 0.00 N ATOM 756 CA GLU A 53 -4.210 -7.243 0.644 1.00 0.00 C ATOM 757 C GLU A 53 -4.178 -5.714 0.598 1.00 0.00 C ATOM 758 O GLU A 53 -3.182 -5.098 0.916 1.00 0.00 O ATOM 759 CB GLU A 53 -3.219 -7.737 1.702 1.00 0.00 C ATOM 760 CG GLU A 53 -2.844 -9.193 1.418 1.00 0.00 C ATOM 761 CD GLU A 53 -3.977 -10.112 1.877 1.00 0.00 C ATOM 762 OE1 GLU A 53 -4.641 -9.764 2.839 1.00 0.00 O ATOM 763 OE2 GLU A 53 -4.160 -11.147 1.259 1.00 0.00 O ATOM 0 H GLU A 53 -2.829 -7.747 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.214 -7.584 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.325 -7.113 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.660 -7.652 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.659 -9.331 0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.921 -9.450 1.937 1.00 0.00 H new ATOM 770 N ILE A 54 -5.257 -5.092 0.205 1.00 0.00 N ATOM 771 CA ILE A 54 -5.265 -3.604 0.143 1.00 0.00 C ATOM 772 C ILE A 54 -5.883 -3.042 1.424 1.00 0.00 C ATOM 773 O ILE A 54 -6.568 -3.733 2.152 1.00 0.00 O ATOM 774 CB ILE A 54 -6.058 -3.142 -1.099 1.00 0.00 C ATOM 775 CG1 ILE A 54 -5.400 -1.886 -1.675 1.00 0.00 C ATOM 776 CG2 ILE A 54 -7.520 -2.830 -0.752 1.00 0.00 C ATOM 777 CD1 ILE A 54 -5.950 -1.625 -3.079 1.00 0.00 C ATOM 0 H ILE A 54 -6.127 -5.547 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.244 -3.232 0.059 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.048 -3.951 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.597 -1.030 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.318 -2.013 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.046 -2.508 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.998 -3.724 -0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.555 -2.036 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.483 -0.731 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.730 -2.478 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.029 -1.480 -3.026 1.00 0.00 H new ATOM 789 N LYS A 55 -5.650 -1.793 1.701 1.00 0.00 N ATOM 790 CA LYS A 55 -6.224 -1.183 2.927 1.00 0.00 C ATOM 791 C LYS A 55 -6.210 0.339 2.787 1.00 0.00 C ATOM 792 O LYS A 55 -5.860 0.875 1.750 1.00 0.00 O ATOM 793 CB LYS A 55 -5.398 -1.598 4.146 1.00 0.00 C ATOM 794 CG LYS A 55 -5.879 -2.961 4.646 1.00 0.00 C ATOM 795 CD LYS A 55 -5.367 -3.193 6.068 1.00 0.00 C ATOM 796 CE LYS A 55 -6.507 -3.721 6.942 1.00 0.00 C ATOM 797 NZ LYS A 55 -6.961 -2.648 7.870 1.00 0.00 N ATOM 0 H LYS A 55 -5.084 -1.166 1.129 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.250 -1.527 3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.341 -1.647 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.496 -0.853 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.968 -3.003 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.519 -3.750 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.543 -3.906 6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.978 -2.263 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.337 -4.050 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.172 -4.589 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.904 -2.884 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.290 -2.566 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.006 -1.743 7.359 1.00 0.00 H new ATOM 811 N CYS A 56 -6.580 1.038 3.824 1.00 0.00 N ATOM 812 CA CYS A 56 -6.594 2.527 3.752 1.00 0.00 C ATOM 813 C CYS A 56 -5.366 3.072 4.477 1.00 0.00 C ATOM 814 O CYS A 56 -4.950 2.550 5.493 1.00 0.00 O ATOM 815 CB CYS A 56 -7.865 3.106 4.410 1.00 0.00 C ATOM 816 SG CYS A 56 -8.970 1.786 4.991 1.00 0.00 S ATOM 0 H CYS A 56 -6.873 0.643 4.718 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.584 2.822 2.703 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -7.584 3.743 5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -8.393 3.736 3.694 1.00 0.00 H new ATOM 821 N CYS A 57 -4.774 4.111 3.958 1.00 0.00 N ATOM 822 CA CYS A 57 -3.566 4.674 4.616 1.00 0.00 C ATOM 823 C CYS A 57 -3.373 6.131 4.199 1.00 0.00 C ATOM 824 O CYS A 57 -3.700 6.533 3.097 1.00 0.00 O ATOM 825 CB CYS A 57 -2.342 3.863 4.192 1.00 0.00 C ATOM 826 SG CYS A 57 -0.867 4.543 4.987 1.00 0.00 S ATOM 0 H CYS A 57 -5.074 4.592 3.110 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.691 4.626 5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.470 2.817 4.472 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.230 3.892 3.108 1.00 0.00 H new ATOM 831 N SER A 58 -2.842 6.932 5.070 1.00 0.00 N ATOM 832 CA SER A 58 -2.625 8.354 4.709 1.00 0.00 C ATOM 833 C SER A 58 -1.250 8.816 5.182 1.00 0.00 C ATOM 834 O SER A 58 -0.801 9.894 4.852 1.00 0.00 O ATOM 835 CB SER A 58 -3.709 9.223 5.346 1.00 0.00 C ATOM 836 OG SER A 58 -3.297 10.583 5.323 1.00 0.00 O ATOM 0 H SER A 58 -2.550 6.667 6.011 1.00 0.00 H new ATOM 0 HA SER A 58 -2.676 8.452 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.648 9.107 4.805 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.890 8.904 6.372 1.00 0.00 H new ATOM 0 HG SER A 58 -2.433 10.655 4.867 1.00 0.00 H new ATOM 842 N ALA A 59 -0.575 8.014 5.946 1.00 0.00 N ATOM 843 CA ALA A 59 0.773 8.423 6.424 1.00 0.00 C ATOM 844 C ALA A 59 1.526 7.189 6.920 1.00 0.00 C ATOM 845 O ALA A 59 1.815 6.282 6.166 1.00 0.00 O ATOM 846 CB ALA A 59 0.615 9.442 7.552 1.00 0.00 C ATOM 0 H ALA A 59 -0.893 7.097 6.261 1.00 0.00 H new ATOM 0 HA ALA A 59 1.339 8.878 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.599 9.747 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.077 10.315 7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.056 8.993 8.373 1.00 0.00 H new ATOM 852 N ASP A 60 1.812 7.129 8.193 1.00 0.00 N ATOM 853 CA ASP A 60 2.503 5.941 8.744 1.00 0.00 C ATOM 854 C ASP A 60 1.434 5.036 9.335 1.00 0.00 C ATOM 855 O ASP A 60 1.639 4.349 10.315 1.00 0.00 O ATOM 856 CB ASP A 60 3.490 6.367 9.834 1.00 0.00 C ATOM 857 CG ASP A 60 4.131 5.124 10.456 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.711 4.347 9.715 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.030 4.971 11.662 1.00 0.00 O ATOM 0 H ASP A 60 1.594 7.857 8.873 1.00 0.00 H new ATOM 0 HA ASP A 60 3.064 5.423 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.259 7.013 9.411 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.974 6.946 10.600 1.00 0.00 H new ATOM 864 N LYS A 61 0.283 5.047 8.727 1.00 0.00 N ATOM 865 CA LYS A 61 -0.837 4.211 9.214 1.00 0.00 C ATOM 866 C LYS A 61 -1.060 3.063 8.233 1.00 0.00 C ATOM 867 O LYS A 61 -1.964 2.264 8.386 1.00 0.00 O ATOM 868 CB LYS A 61 -2.105 5.064 9.311 1.00 0.00 C ATOM 869 CG LYS A 61 -3.326 4.155 9.466 1.00 0.00 C ATOM 870 CD LYS A 61 -4.483 4.950 10.075 1.00 0.00 C ATOM 871 CE LYS A 61 -4.810 4.394 11.462 1.00 0.00 C ATOM 872 NZ LYS A 61 -6.241 4.664 11.780 1.00 0.00 N ATOM 0 H LYS A 61 0.072 5.609 7.902 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.601 3.810 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.034 5.743 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.209 5.681 8.418 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.618 3.753 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.081 3.305 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.215 6.004 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.360 4.888 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.616 3.322 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.166 4.855 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.464 4.286 12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.412 5.690 11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.847 4.204 11.071 1.00 0.00 H new ATOM 886 N CYS A 62 -0.244 2.978 7.220 1.00 0.00 N ATOM 887 CA CYS A 62 -0.408 1.888 6.223 1.00 0.00 C ATOM 888 C CYS A 62 -0.383 0.534 6.939 1.00 0.00 C ATOM 889 O CYS A 62 -0.881 -0.453 6.436 1.00 0.00 O ATOM 890 CB CYS A 62 0.737 1.938 5.207 1.00 0.00 C ATOM 891 SG CYS A 62 0.660 3.461 4.220 1.00 0.00 S ATOM 0 H CYS A 62 0.530 3.618 7.041 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.359 2.016 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.693 1.885 5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.683 1.070 4.549 1.00 0.00 H new ATOM 896 N ASN A 63 0.198 0.480 8.106 1.00 0.00 N ATOM 897 CA ASN A 63 0.261 -0.809 8.847 1.00 0.00 C ATOM 898 C ASN A 63 -0.807 -0.827 9.942 1.00 0.00 C ATOM 899 O ASN A 63 -0.541 -0.517 11.086 1.00 0.00 O ATOM 900 CB ASN A 63 1.645 -0.966 9.481 1.00 0.00 C ATOM 901 CG ASN A 63 2.108 0.380 10.040 1.00 0.00 C ATOM 902 OD1 ASN A 63 2.632 1.204 9.316 1.00 0.00 O ATOM 903 ND2 ASN A 63 1.937 0.640 11.307 1.00 0.00 N ATOM 0 H ASN A 63 0.632 1.274 8.578 1.00 0.00 H new ATOM 0 HA ASN A 63 0.082 -1.632 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.609 -1.709 10.278 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.357 -1.328 8.739 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.243 1.535 11.690 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.497 -0.051 11.915 1.00 0.00 H new ATOM 910 N THR A 64 -2.012 -1.192 9.601 1.00 0.00 N ATOM 911 CA THR A 64 -3.094 -1.233 10.624 1.00 0.00 C ATOM 912 C THR A 64 -3.334 -2.681 11.058 1.00 0.00 C ATOM 913 O THR A 64 -3.279 -3.594 10.259 1.00 0.00 O ATOM 914 CB THR A 64 -4.376 -0.657 10.036 1.00 0.00 C ATOM 915 OG1 THR A 64 -4.164 -0.312 8.674 1.00 0.00 O ATOM 916 CG2 THR A 64 -4.750 0.587 10.833 1.00 0.00 C ATOM 0 H THR A 64 -2.294 -1.463 8.659 1.00 0.00 H new ATOM 0 HA THR A 64 -2.796 -0.641 11.489 1.00 0.00 H new ATOM 0 HB THR A 64 -5.180 -1.391 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.990 0.057 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.667 1.016 10.428 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.906 0.317 11.877 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.945 1.319 10.764 1.00 0.00 H new ATOM 924 N TYR A 65 -3.601 -2.898 12.316 1.00 0.00 N ATOM 925 CA TYR A 65 -3.840 -4.268 12.800 1.00 0.00 C ATOM 926 C TYR A 65 -4.440 -4.219 14.210 1.00 0.00 C ATOM 927 O TYR A 65 -3.759 -4.484 15.180 1.00 0.00 O ATOM 928 CB TYR A 65 -2.517 -5.022 12.830 1.00 0.00 C ATOM 929 CG TYR A 65 -2.772 -6.488 13.093 1.00 0.00 C ATOM 930 CD1 TYR A 65 -3.705 -7.187 12.316 1.00 0.00 C ATOM 931 CD2 TYR A 65 -2.075 -7.147 14.114 1.00 0.00 C ATOM 932 CE1 TYR A 65 -3.941 -8.547 12.561 1.00 0.00 C ATOM 933 CE2 TYR A 65 -2.310 -8.507 14.358 1.00 0.00 C ATOM 934 CZ TYR A 65 -3.244 -9.207 13.581 1.00 0.00 C ATOM 935 OH TYR A 65 -3.476 -10.546 13.821 1.00 0.00 O ATOM 0 H TYR A 65 -3.662 -2.171 13.029 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.537 -4.777 12.134 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -1.995 -4.898 11.881 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.870 -4.611 13.605 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.242 -6.679 11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -1.357 -6.607 14.713 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.661 -9.086 11.963 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.772 -9.016 15.144 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.910 -10.849 14.561 1.00 0.00 H new ATOM 945 N PRO A 66 -5.702 -3.878 14.277 1.00 0.00 N ATOM 946 CA PRO A 66 -6.432 -3.783 15.553 1.00 0.00 C ATOM 947 C PRO A 66 -6.821 -5.177 16.052 1.00 0.00 C ATOM 948 O PRO A 66 -6.677 -5.423 17.239 1.00 0.00 O ATOM 949 CB PRO A 66 -7.676 -2.965 15.194 1.00 0.00 C ATOM 950 CG PRO A 66 -7.877 -3.124 13.667 1.00 0.00 C ATOM 951 CD PRO A 66 -6.518 -3.557 13.087 1.00 0.00 C ATOM 952 OXT PRO A 66 -7.257 -5.976 15.238 1.00 0.00 O ATOM 0 HA PRO A 66 -5.844 -3.329 16.351 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.548 -3.324 15.740 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.542 -1.917 15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.644 -3.868 13.453 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.208 -2.187 13.220 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.622 -4.421 12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.065 -2.761 12.496 1.00 0.00 H new TER 960 PRO A 66