USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 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 61 SER OG : rot -148:sc= 1.51 USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 163:sc= 0.672 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0195 USER MOD Single : A 6 SER OG : rot 66:sc= 1.12 USER MOD Single : A 12 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0158 (180deg=-0.183) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00037 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.337 K(o=-0.34,f=-2.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 148:sc= -1.28 (180deg=-3.58!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.7) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.15) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -118:sc= -1.15 (180deg=-5.17!) USER MOD Single : A 69 ASN : amide:sc= -0.867 K(o=-0.87,f=-4.6!) USER MOD Single : A 71 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.029) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 23:sc= 0.516 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 150:sc= -0.565 (180deg=-1.56) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0374 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 16:sc= 0.899 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.216 12.637 -9.238 1.00 0.00 N ATOM 2 CA GLY A 1 5.764 11.510 -10.033 1.00 0.00 C ATOM 3 C GLY A 1 4.276 11.260 -9.889 1.00 0.00 C ATOM 4 O GLY A 1 3.463 12.151 -10.134 1.00 0.00 O ATOM 0 H1 GLY A 1 7.239 12.767 -9.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.716 13.497 -9.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.017 12.455 -8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.999 11.691 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.310 10.616 -9.734 1.00 0.00 H new ATOM 8 N SER A 2 3.918 10.043 -9.491 1.00 0.00 N ATOM 9 CA SER A 2 2.517 9.675 -9.320 1.00 0.00 C ATOM 10 C SER A 2 1.795 10.685 -8.434 1.00 0.00 C ATOM 11 O SER A 2 1.000 11.492 -8.914 1.00 0.00 O ATOM 12 CB SER A 2 2.406 8.275 -8.714 1.00 0.00 C ATOM 13 OG SER A 2 2.524 7.276 -9.712 1.00 0.00 O ATOM 0 H SER A 2 4.579 9.295 -9.281 1.00 0.00 H new ATOM 0 HA SER A 2 2.044 9.676 -10.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.185 8.137 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.449 8.171 -8.203 1.00 0.00 H new ATOM 0 HG SER A 2 2.723 6.414 -9.290 1.00 0.00 H new ATOM 19 N SER A 3 2.079 10.633 -7.136 1.00 0.00 N ATOM 20 CA SER A 3 1.455 11.540 -6.180 1.00 0.00 C ATOM 21 C SER A 3 2.074 11.379 -4.795 1.00 0.00 C ATOM 22 O SER A 3 2.915 10.509 -4.575 1.00 0.00 O ATOM 23 CB SER A 3 -0.052 11.284 -6.111 1.00 0.00 C ATOM 24 OG SER A 3 -0.756 12.469 -5.784 1.00 0.00 O ATOM 0 H SER A 3 2.737 9.972 -6.723 1.00 0.00 H new ATOM 0 HA SER A 3 1.628 12.561 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.403 10.901 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.260 10.516 -5.366 1.00 0.00 H new ATOM 0 HG SER A 3 -1.717 12.279 -5.748 1.00 0.00 H new ATOM 30 N GLY A 4 1.650 12.227 -3.862 1.00 0.00 N ATOM 31 CA GLY A 4 2.173 12.164 -2.510 1.00 0.00 C ATOM 32 C GLY A 4 1.139 12.551 -1.470 1.00 0.00 C ATOM 33 O GLY A 4 1.387 13.416 -0.631 1.00 0.00 O ATOM 0 H GLY A 4 0.954 12.956 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.527 11.153 -2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.034 12.826 -2.426 1.00 0.00 H new ATOM 37 N SER A 5 -0.023 11.909 -1.527 1.00 0.00 N ATOM 38 CA SER A 5 -1.100 12.194 -0.586 1.00 0.00 C ATOM 39 C SER A 5 -1.993 10.972 -0.395 1.00 0.00 C ATOM 40 O SER A 5 -1.871 9.981 -1.115 1.00 0.00 O ATOM 41 CB SER A 5 -1.936 13.378 -1.079 1.00 0.00 C ATOM 42 OG SER A 5 -1.150 14.553 -1.171 1.00 0.00 O ATOM 0 H SER A 5 -0.243 11.188 -2.214 1.00 0.00 H new ATOM 0 HA SER A 5 -0.652 12.448 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.363 13.145 -2.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.770 13.547 -0.398 1.00 0.00 H new ATOM 0 HG SER A 5 -1.706 15.294 -1.489 1.00 0.00 H new ATOM 48 N SER A 6 -2.890 11.049 0.583 1.00 0.00 N ATOM 49 CA SER A 6 -3.801 9.949 0.873 1.00 0.00 C ATOM 50 C SER A 6 -3.051 8.621 0.925 1.00 0.00 C ATOM 51 O SER A 6 -3.455 7.642 0.300 1.00 0.00 O ATOM 52 CB SER A 6 -4.907 9.881 -0.183 1.00 0.00 C ATOM 53 OG SER A 6 -4.467 9.188 -1.338 1.00 0.00 O ATOM 0 H SER A 6 -3.005 11.862 1.188 1.00 0.00 H new ATOM 0 HA SER A 6 -4.251 10.132 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.782 9.381 0.234 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.216 10.890 -0.456 1.00 0.00 H new ATOM 0 HG SER A 6 -4.303 8.248 -1.113 1.00 0.00 H new ATOM 59 N GLY A 7 -1.954 8.598 1.676 1.00 0.00 N ATOM 60 CA GLY A 7 -1.163 7.387 1.797 1.00 0.00 C ATOM 61 C GLY A 7 -1.699 6.448 2.859 1.00 0.00 C ATOM 62 O GLY A 7 -2.795 6.652 3.381 1.00 0.00 O ATOM 0 H GLY A 7 -1.599 9.396 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.144 6.872 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.133 7.652 2.037 1.00 0.00 H new ATOM 66 N ILE A 8 -0.927 5.415 3.177 1.00 0.00 N ATOM 67 CA ILE A 8 -1.331 4.440 4.183 1.00 0.00 C ATOM 68 C ILE A 8 -0.119 3.849 4.894 1.00 0.00 C ATOM 69 O ILE A 8 0.905 3.568 4.271 1.00 0.00 O ATOM 70 CB ILE A 8 -2.155 3.298 3.561 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.381 2.649 2.411 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.499 3.818 3.074 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.808 1.227 2.122 1.00 0.00 C ATOM 0 H ILE A 8 -0.018 5.231 2.753 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.950 4.971 4.906 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.335 2.542 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.513 3.249 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.317 2.659 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.070 2.998 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.053 4.238 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.339 4.591 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.218 0.831 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.650 0.613 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.864 1.212 1.853 1.00 0.00 H new ATOM 85 N PHE A 9 -0.242 3.661 6.204 1.00 0.00 N ATOM 86 CA PHE A 9 0.843 3.102 7.002 1.00 0.00 C ATOM 87 C PHE A 9 0.572 1.639 7.339 1.00 0.00 C ATOM 88 O PHE A 9 -0.528 1.282 7.762 1.00 0.00 O ATOM 89 CB PHE A 9 1.027 3.908 8.289 1.00 0.00 C ATOM 90 CG PHE A 9 1.824 3.188 9.339 1.00 0.00 C ATOM 91 CD1 PHE A 9 3.208 3.166 9.283 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.188 2.534 10.382 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.944 2.505 10.248 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.919 1.871 11.350 1.00 0.00 C ATOM 95 CZ PHE A 9 3.299 1.856 11.282 1.00 0.00 C ATOM 0 H PHE A 9 -1.083 3.888 6.735 1.00 0.00 H new ATOM 0 HA PHE A 9 1.759 3.158 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.522 4.850 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.047 4.157 8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.718 3.671 8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.110 2.542 10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.023 2.496 10.193 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.412 1.365 12.159 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.872 1.338 12.036 1.00 0.00 H new ATOM 105 N ILE A 10 1.582 0.797 7.149 1.00 0.00 N ATOM 106 CA ILE A 10 1.453 -0.627 7.434 1.00 0.00 C ATOM 107 C ILE A 10 2.493 -1.080 8.453 1.00 0.00 C ATOM 108 O ILE A 10 3.695 -0.919 8.243 1.00 0.00 O ATOM 109 CB ILE A 10 1.602 -1.473 6.155 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.600 -1.012 5.094 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.406 -2.948 6.470 1.00 0.00 C ATOM 112 CD1 ILE A 10 1.065 -1.261 3.676 1.00 0.00 C ATOM 0 H ILE A 10 2.499 1.076 6.799 1.00 0.00 H new ATOM 0 HA ILE A 10 0.455 -0.777 7.845 1.00 0.00 H new ATOM 0 HB ILE A 10 2.609 -1.336 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.348 -1.527 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.410 0.053 5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.514 -3.533 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.154 -3.267 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.409 -3.102 6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.306 -0.910 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.997 -0.724 3.499 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.228 -2.329 3.529 1.00 0.00 H new ATOM 124 N GLY A 11 2.022 -1.651 9.558 1.00 0.00 N ATOM 125 CA GLY A 11 2.925 -2.120 10.592 1.00 0.00 C ATOM 126 C GLY A 11 2.782 -3.606 10.855 1.00 0.00 C ATOM 127 O GLY A 11 1.775 -4.214 10.493 1.00 0.00 O ATOM 0 H GLY A 11 1.032 -1.797 9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.952 -1.903 10.299 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.734 -1.571 11.514 1.00 0.00 H new ATOM 131 N ASN A 12 3.793 -4.194 11.486 1.00 0.00 N ATOM 132 CA ASN A 12 3.777 -5.619 11.795 1.00 0.00 C ATOM 133 C ASN A 12 3.852 -6.453 10.520 1.00 0.00 C ATOM 134 O ASN A 12 3.000 -7.308 10.273 1.00 0.00 O ATOM 135 CB ASN A 12 2.513 -5.978 12.579 1.00 0.00 C ATOM 136 CG ASN A 12 2.732 -7.140 13.528 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.689 -8.356 12.995 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 2.937 -6.947 14.726 1.00 0.00 N flip ATOM 0 H ASN A 12 4.634 -3.705 11.793 1.00 0.00 H new ATOM 0 HA ASN A 12 4.651 -5.843 12.406 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.180 -5.108 13.145 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.714 -6.228 11.881 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.962 -5.995 15.092 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.082 -7.739 15.353 1.00 0.00 H new ATOM 145 N LEU A 13 4.877 -6.199 9.713 1.00 0.00 N ATOM 146 CA LEU A 13 5.064 -6.927 8.463 1.00 0.00 C ATOM 147 C LEU A 13 6.181 -7.957 8.594 1.00 0.00 C ATOM 148 O LEU A 13 7.307 -7.623 8.963 1.00 0.00 O ATOM 149 CB LEU A 13 5.384 -5.954 7.327 1.00 0.00 C ATOM 150 CG LEU A 13 4.184 -5.265 6.675 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.619 -3.990 5.970 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.494 -6.208 5.700 1.00 0.00 C ATOM 0 H LEU A 13 5.590 -5.495 9.902 1.00 0.00 H new ATOM 0 HA LEU A 13 4.136 -7.452 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.054 -5.185 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.930 -6.495 6.555 1.00 0.00 H new ATOM 0 HG LEU A 13 3.473 -4.998 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.752 -3.514 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.067 -3.309 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.350 -4.232 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.643 -5.702 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.197 -6.505 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.147 -7.093 6.233 1.00 0.00 H new ATOM 164 N ASP A 14 5.862 -9.210 8.289 1.00 0.00 N ATOM 165 CA ASP A 14 6.840 -10.289 8.370 1.00 0.00 C ATOM 166 C ASP A 14 8.100 -9.941 7.585 1.00 0.00 C ATOM 167 O ASP A 14 8.045 -9.370 6.495 1.00 0.00 O ATOM 168 CB ASP A 14 6.238 -11.592 7.841 1.00 0.00 C ATOM 169 CG ASP A 14 7.002 -12.815 8.308 1.00 0.00 C ATOM 170 OD1 ASP A 14 8.006 -13.172 7.655 1.00 0.00 O ATOM 171 OD2 ASP A 14 6.597 -13.416 9.325 1.00 0.00 O ATOM 0 H ASP A 14 4.934 -9.504 7.984 1.00 0.00 H new ATOM 0 HA ASP A 14 7.112 -10.422 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.201 -11.669 8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.228 -11.568 6.751 1.00 0.00 H new ATOM 176 N PRO A 15 9.265 -10.291 8.150 1.00 0.00 N ATOM 177 CA PRO A 15 10.562 -10.024 7.520 1.00 0.00 C ATOM 178 C PRO A 15 10.792 -10.884 6.281 1.00 0.00 C ATOM 179 O PRO A 15 11.734 -10.655 5.523 1.00 0.00 O ATOM 180 CB PRO A 15 11.569 -10.385 8.615 1.00 0.00 C ATOM 181 CG PRO A 15 10.857 -11.371 9.475 1.00 0.00 C ATOM 182 CD PRO A 15 9.407 -10.974 9.446 1.00 0.00 C ATOM 0 HA PRO A 15 10.642 -8.994 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.478 -10.813 8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.866 -9.505 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.992 -12.385 9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.246 -11.354 10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.751 -11.842 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.154 -10.315 10.277 1.00 0.00 H new ATOM 190 N GLU A 16 9.925 -11.872 6.082 1.00 0.00 N ATOM 191 CA GLU A 16 10.036 -12.765 4.935 1.00 0.00 C ATOM 192 C GLU A 16 9.368 -12.156 3.705 1.00 0.00 C ATOM 193 O GLU A 16 9.468 -12.693 2.602 1.00 0.00 O ATOM 194 CB GLU A 16 9.404 -14.121 5.253 1.00 0.00 C ATOM 195 CG GLU A 16 10.111 -14.876 6.365 1.00 0.00 C ATOM 196 CD GLU A 16 11.298 -15.676 5.864 1.00 0.00 C ATOM 197 OE1 GLU A 16 12.004 -15.184 4.959 1.00 0.00 O ATOM 198 OE2 GLU A 16 11.521 -16.793 6.376 1.00 0.00 O ATOM 0 H GLU A 16 9.139 -12.074 6.700 1.00 0.00 H new ATOM 0 HA GLU A 16 11.095 -12.908 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.362 -13.970 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.406 -14.734 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.448 -14.168 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.403 -15.548 6.850 1.00 0.00 H new ATOM 205 N ILE A 17 8.687 -11.032 3.904 1.00 0.00 N ATOM 206 CA ILE A 17 8.003 -10.350 2.813 1.00 0.00 C ATOM 207 C ILE A 17 8.898 -9.290 2.181 1.00 0.00 C ATOM 208 O ILE A 17 9.653 -8.607 2.873 1.00 0.00 O ATOM 209 CB ILE A 17 6.699 -9.686 3.293 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.860 -10.681 4.097 1.00 0.00 C ATOM 211 CG2 ILE A 17 5.909 -9.153 2.107 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.893 -10.021 5.055 1.00 0.00 C ATOM 0 H ILE A 17 8.595 -10.575 4.811 1.00 0.00 H new ATOM 0 HA ILE A 17 7.761 -11.109 2.069 1.00 0.00 H new ATOM 0 HB ILE A 17 6.952 -8.847 3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.301 -11.313 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.527 -11.335 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.990 -8.687 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.508 -8.415 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.662 -9.975 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.332 -10.787 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.447 -9.411 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.202 -9.389 4.497 1.00 0.00 H new ATOM 224 N ASP A 18 8.807 -9.157 0.862 1.00 0.00 N ATOM 225 CA ASP A 18 9.607 -8.177 0.136 1.00 0.00 C ATOM 226 C ASP A 18 8.713 -7.160 -0.567 1.00 0.00 C ATOM 227 O ASP A 18 7.549 -7.437 -0.855 1.00 0.00 O ATOM 228 CB ASP A 18 10.505 -8.876 -0.885 1.00 0.00 C ATOM 229 CG ASP A 18 11.723 -9.512 -0.245 1.00 0.00 C ATOM 230 OD1 ASP A 18 12.280 -8.911 0.697 1.00 0.00 O ATOM 231 OD2 ASP A 18 12.120 -10.611 -0.686 1.00 0.00 O ATOM 0 H ASP A 18 8.188 -9.715 0.274 1.00 0.00 H new ATOM 0 HA ASP A 18 10.232 -7.649 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.930 -9.642 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.828 -8.154 -1.635 1.00 0.00 H new ATOM 236 N GLU A 19 9.266 -5.982 -0.840 1.00 0.00 N ATOM 237 CA GLU A 19 8.517 -4.923 -1.507 1.00 0.00 C ATOM 238 C GLU A 19 7.698 -5.484 -2.666 1.00 0.00 C ATOM 239 O GLU A 19 6.564 -5.064 -2.900 1.00 0.00 O ATOM 240 CB GLU A 19 9.469 -3.840 -2.018 1.00 0.00 C ATOM 241 CG GLU A 19 9.895 -2.850 -0.947 1.00 0.00 C ATOM 242 CD GLU A 19 11.043 -1.966 -1.394 1.00 0.00 C ATOM 243 OE1 GLU A 19 10.882 -1.250 -2.405 1.00 0.00 O ATOM 244 OE2 GLU A 19 12.102 -1.989 -0.733 1.00 0.00 O ATOM 0 H GLU A 19 10.229 -5.737 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 19 7.833 -4.483 -0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.357 -4.316 -2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.986 -3.298 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.044 -2.225 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.189 -3.395 -0.050 1.00 0.00 H new ATOM 251 N LYS A 20 8.280 -6.435 -3.388 1.00 0.00 N ATOM 252 CA LYS A 20 7.606 -7.055 -4.523 1.00 0.00 C ATOM 253 C LYS A 20 6.265 -7.649 -4.101 1.00 0.00 C ATOM 254 O LYS A 20 5.212 -7.242 -4.594 1.00 0.00 O ATOM 255 CB LYS A 20 8.489 -8.146 -5.133 1.00 0.00 C ATOM 256 CG LYS A 20 9.413 -7.639 -6.226 1.00 0.00 C ATOM 257 CD LYS A 20 10.593 -6.875 -5.649 1.00 0.00 C ATOM 258 CE LYS A 20 11.760 -7.801 -5.341 1.00 0.00 C ATOM 259 NZ LYS A 20 12.428 -8.282 -6.581 1.00 0.00 N ATOM 0 H LYS A 20 9.218 -6.794 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 20 7.423 -6.283 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.088 -8.600 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.852 -8.931 -5.542 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.777 -8.481 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.856 -6.992 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.912 -6.109 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.285 -6.361 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.485 -7.277 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.404 -8.655 -4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.367 -8.662 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.852 -9.029 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.533 -7.491 -7.248 1.00 0.00 H new ATOM 273 N LEU A 21 6.310 -8.611 -3.186 1.00 0.00 N ATOM 274 CA LEU A 21 5.099 -9.259 -2.697 1.00 0.00 C ATOM 275 C LEU A 21 4.068 -8.225 -2.257 1.00 0.00 C ATOM 276 O LEU A 21 2.966 -8.158 -2.805 1.00 0.00 O ATOM 277 CB LEU A 21 5.431 -10.192 -1.531 1.00 0.00 C ATOM 278 CG LEU A 21 4.365 -11.228 -1.176 1.00 0.00 C ATOM 279 CD1 LEU A 21 4.200 -12.234 -2.305 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.721 -11.936 0.124 1.00 0.00 C ATOM 0 H LEU A 21 7.173 -8.959 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 21 4.675 -9.844 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.357 -10.718 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.625 -9.583 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 21 3.416 -10.711 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.437 -12.963 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.898 -11.714 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.147 -12.746 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.951 -12.670 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.681 -12.440 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.786 -11.205 0.930 1.00 0.00 H new ATOM 292 N LEU A 22 4.432 -7.418 -1.267 1.00 0.00 N ATOM 293 CA LEU A 22 3.539 -6.384 -0.754 1.00 0.00 C ATOM 294 C LEU A 22 2.746 -5.739 -1.886 1.00 0.00 C ATOM 295 O LEU A 22 1.521 -5.643 -1.823 1.00 0.00 O ATOM 296 CB LEU A 22 4.340 -5.317 -0.004 1.00 0.00 C ATOM 297 CG LEU A 22 4.649 -5.618 1.463 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.715 -4.670 1.989 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.385 -5.522 2.305 1.00 0.00 C ATOM 0 H LEU A 22 5.339 -7.459 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 22 2.837 -6.854 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.283 -5.163 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.790 -4.377 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 22 5.031 -6.636 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.922 -4.899 3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.627 -4.788 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.361 -3.642 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.624 -5.739 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.973 -4.516 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.651 -6.242 1.943 1.00 0.00 H new ATOM 311 N TYR A 23 3.454 -5.300 -2.921 1.00 0.00 N ATOM 312 CA TYR A 23 2.816 -4.664 -4.068 1.00 0.00 C ATOM 313 C TYR A 23 1.577 -5.440 -4.502 1.00 0.00 C ATOM 314 O TYR A 23 0.478 -4.889 -4.571 1.00 0.00 O ATOM 315 CB TYR A 23 3.801 -4.561 -5.234 1.00 0.00 C ATOM 316 CG TYR A 23 3.213 -3.917 -6.469 1.00 0.00 C ATOM 317 CD1 TYR A 23 2.260 -4.579 -7.234 1.00 0.00 C ATOM 318 CD2 TYR A 23 3.610 -2.649 -6.872 1.00 0.00 C ATOM 319 CE1 TYR A 23 1.719 -3.995 -8.363 1.00 0.00 C ATOM 320 CE2 TYR A 23 3.074 -2.056 -7.999 1.00 0.00 C ATOM 321 CZ TYR A 23 2.130 -2.734 -8.741 1.00 0.00 C ATOM 322 OH TYR A 23 1.595 -2.148 -9.866 1.00 0.00 O ATOM 0 H TYR A 23 4.469 -5.373 -2.989 1.00 0.00 H new ATOM 0 HA TYR A 23 2.509 -3.661 -3.771 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.671 -3.987 -4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.155 -5.560 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.937 -5.567 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.351 -2.117 -6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.979 -4.523 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.392 -1.068 -8.297 1.00 0.00 H new ATOM 0 HH TYR A 23 1.990 -1.260 -9.992 1.00 0.00 H new ATOM 332 N ASP A 24 1.762 -6.723 -4.793 1.00 0.00 N ATOM 333 CA ASP A 24 0.659 -7.578 -5.218 1.00 0.00 C ATOM 334 C ASP A 24 -0.322 -7.809 -4.074 1.00 0.00 C ATOM 335 O ASP A 24 -1.531 -7.638 -4.233 1.00 0.00 O ATOM 336 CB ASP A 24 1.192 -8.917 -5.729 1.00 0.00 C ATOM 337 CG ASP A 24 0.089 -9.935 -5.944 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.847 -9.642 -6.717 1.00 0.00 O ATOM 339 OD2 ASP A 24 0.162 -11.025 -5.339 1.00 0.00 O ATOM 0 H ASP A 24 2.665 -7.194 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 24 0.131 -7.073 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.724 -8.759 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.914 -9.313 -5.015 1.00 0.00 H new ATOM 344 N THR A 25 0.206 -8.201 -2.918 1.00 0.00 N ATOM 345 CA THR A 25 -0.623 -8.459 -1.747 1.00 0.00 C ATOM 346 C THR A 25 -1.697 -7.389 -1.588 1.00 0.00 C ATOM 347 O THR A 25 -2.828 -7.683 -1.201 1.00 0.00 O ATOM 348 CB THR A 25 0.223 -8.516 -0.462 1.00 0.00 C ATOM 349 OG1 THR A 25 1.184 -9.574 -0.554 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.660 -8.732 0.758 1.00 0.00 C ATOM 0 H THR A 25 1.204 -8.347 -2.768 1.00 0.00 H new ATOM 0 HA THR A 25 -1.099 -9.427 -1.903 1.00 0.00 H new ATOM 0 HB THR A 25 0.741 -7.563 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.719 -9.602 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.040 -8.769 1.654 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.371 -7.910 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.202 -9.672 0.653 1.00 0.00 H new ATOM 358 N PHE A 26 -1.336 -6.145 -1.889 1.00 0.00 N ATOM 359 CA PHE A 26 -2.270 -5.031 -1.778 1.00 0.00 C ATOM 360 C PHE A 26 -2.900 -4.712 -3.131 1.00 0.00 C ATOM 361 O PHE A 26 -4.058 -4.304 -3.208 1.00 0.00 O ATOM 362 CB PHE A 26 -1.556 -3.792 -1.231 1.00 0.00 C ATOM 363 CG PHE A 26 -1.316 -3.845 0.250 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.598 -4.888 0.812 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.808 -2.851 1.081 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.374 -4.940 2.175 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.587 -2.897 2.445 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.870 -3.943 2.993 1.00 0.00 C ATOM 0 H PHE A 26 -0.404 -5.884 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.062 -5.321 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.600 -3.678 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.150 -2.908 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.208 -5.670 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.370 -2.031 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.188 -5.759 2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.975 -2.116 3.082 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.698 -3.981 4.058 1.00 0.00 H new ATOM 378 N SER A 27 -2.127 -4.902 -4.196 1.00 0.00 N ATOM 379 CA SER A 27 -2.606 -4.631 -5.546 1.00 0.00 C ATOM 380 C SER A 27 -4.040 -5.121 -5.722 1.00 0.00 C ATOM 381 O SER A 27 -4.831 -4.515 -6.445 1.00 0.00 O ATOM 382 CB SER A 27 -1.696 -5.302 -6.577 1.00 0.00 C ATOM 383 OG SER A 27 -2.147 -5.048 -7.897 1.00 0.00 O ATOM 0 H SER A 27 -1.167 -5.242 -4.150 1.00 0.00 H new ATOM 0 HA SER A 27 -2.587 -3.552 -5.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.676 -4.935 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.670 -6.377 -6.399 1.00 0.00 H new ATOM 0 HG SER A 27 -1.548 -5.486 -8.537 1.00 0.00 H new ATOM 389 N ALA A 28 -4.369 -6.222 -5.055 1.00 0.00 N ATOM 390 CA ALA A 28 -5.707 -6.793 -5.135 1.00 0.00 C ATOM 391 C ALA A 28 -6.771 -5.743 -4.832 1.00 0.00 C ATOM 392 O ALA A 28 -7.683 -5.522 -5.628 1.00 0.00 O ATOM 393 CB ALA A 28 -5.837 -7.970 -4.179 1.00 0.00 C ATOM 0 H ALA A 28 -3.726 -6.737 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.863 -7.148 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.842 -8.387 -4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.107 -8.736 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.655 -7.632 -3.159 1.00 0.00 H new ATOM 399 N PHE A 29 -6.648 -5.100 -3.676 1.00 0.00 N ATOM 400 CA PHE A 29 -7.601 -4.074 -3.267 1.00 0.00 C ATOM 401 C PHE A 29 -7.615 -2.917 -4.263 1.00 0.00 C ATOM 402 O PHE A 29 -8.632 -2.644 -4.898 1.00 0.00 O ATOM 403 CB PHE A 29 -7.255 -3.555 -1.870 1.00 0.00 C ATOM 404 CG PHE A 29 -7.189 -4.635 -0.828 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.346 -5.233 -0.358 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.969 -5.052 -0.320 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.288 -6.227 0.601 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.905 -6.045 0.639 1.00 0.00 C ATOM 409 CZ PHE A 29 -7.066 -6.634 1.099 1.00 0.00 C ATOM 0 H PHE A 29 -5.898 -5.271 -3.006 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.594 -4.523 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.295 -3.041 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.000 -2.817 -1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.304 -4.919 -0.745 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.058 -4.596 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.198 -6.685 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.948 -6.360 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.018 -7.412 1.847 1.00 0.00 H new ATOM 419 N GLY A 30 -6.477 -2.241 -4.392 1.00 0.00 N ATOM 420 CA GLY A 30 -6.380 -1.122 -5.310 1.00 0.00 C ATOM 421 C GLY A 30 -5.048 -1.080 -6.034 1.00 0.00 C ATOM 422 O GLY A 30 -4.222 -1.980 -5.882 1.00 0.00 O ATOM 0 H GLY A 30 -5.621 -2.449 -3.877 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.186 -1.185 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.521 -0.191 -4.760 1.00 0.00 H new ATOM 426 N VAL A 31 -4.840 -0.033 -6.826 1.00 0.00 N ATOM 427 CA VAL A 31 -3.600 0.123 -7.577 1.00 0.00 C ATOM 428 C VAL A 31 -2.594 0.972 -6.807 1.00 0.00 C ATOM 429 O VAL A 31 -2.967 1.926 -6.123 1.00 0.00 O ATOM 430 CB VAL A 31 -3.853 0.768 -8.952 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.558 0.865 -9.744 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.902 -0.019 -9.724 1.00 0.00 C ATOM 0 H VAL A 31 -5.514 0.720 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.191 -0.877 -7.723 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.231 1.778 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.757 1.323 -10.713 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.840 1.475 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.147 -0.133 -9.893 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.069 0.451 -10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.554 -1.042 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.835 -0.031 -9.161 1.00 0.00 H new ATOM 442 N ILE A 32 -1.318 0.619 -6.923 1.00 0.00 N ATOM 443 CA ILE A 32 -0.259 1.350 -6.240 1.00 0.00 C ATOM 444 C ILE A 32 0.333 2.430 -7.139 1.00 0.00 C ATOM 445 O ILE A 32 0.559 2.207 -8.329 1.00 0.00 O ATOM 446 CB ILE A 32 0.868 0.408 -5.779 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.322 -0.639 -4.805 1.00 0.00 C ATOM 448 CG2 ILE A 32 1.993 1.203 -5.133 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.236 -1.831 -4.624 1.00 0.00 C ATOM 0 H ILE A 32 -0.993 -0.169 -7.484 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.712 1.817 -5.366 1.00 0.00 H new ATOM 0 HB ILE A 32 1.268 -0.108 -6.652 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.155 -0.169 -3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.647 -0.986 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.782 0.523 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.397 1.913 -5.854 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.607 1.744 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.785 -2.531 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.384 -2.325 -5.584 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.198 -1.496 -4.236 1.00 0.00 H new ATOM 461 N LEU A 33 0.583 3.601 -6.563 1.00 0.00 N ATOM 462 CA LEU A 33 1.151 4.716 -7.312 1.00 0.00 C ATOM 463 C LEU A 33 2.615 4.456 -7.649 1.00 0.00 C ATOM 464 O LEU A 33 3.022 4.557 -8.806 1.00 0.00 O ATOM 465 CB LEU A 33 1.022 6.012 -6.510 1.00 0.00 C ATOM 466 CG LEU A 33 -0.342 6.702 -6.562 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.343 7.948 -5.691 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.708 7.051 -7.997 1.00 0.00 C ATOM 0 H LEU A 33 0.401 3.803 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 33 0.596 4.816 -8.245 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.258 5.796 -5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.775 6.714 -6.868 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.092 6.013 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.322 8.426 -5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.126 7.671 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.418 8.642 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.681 7.541 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.044 7.722 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.749 6.140 -8.594 1.00 0.00 H new ATOM 480 N GLN A 34 3.401 4.120 -6.632 1.00 0.00 N ATOM 481 CA GLN A 34 4.820 3.844 -6.821 1.00 0.00 C ATOM 482 C GLN A 34 5.293 2.747 -5.873 1.00 0.00 C ATOM 483 O GLN A 34 4.778 2.606 -4.763 1.00 0.00 O ATOM 484 CB GLN A 34 5.642 5.115 -6.601 1.00 0.00 C ATOM 485 CG GLN A 34 5.346 6.213 -7.609 1.00 0.00 C ATOM 486 CD GLN A 34 6.027 5.981 -8.943 1.00 0.00 C ATOM 487 OE1 GLN A 34 6.425 4.861 -9.263 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.166 7.042 -9.729 1.00 0.00 N ATOM 0 H GLN A 34 3.079 4.032 -5.668 1.00 0.00 H new ATOM 0 HA GLN A 34 4.964 3.500 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.449 5.493 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.702 4.865 -6.649 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.269 6.279 -7.762 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.670 7.171 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.821 7.952 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.618 6.947 -10.639 1.00 0.00 H new ATOM 497 N THR A 35 6.277 1.971 -6.317 1.00 0.00 N ATOM 498 CA THR A 35 6.818 0.886 -5.508 1.00 0.00 C ATOM 499 C THR A 35 6.808 1.245 -4.027 1.00 0.00 C ATOM 500 O THR A 35 7.215 2.336 -3.625 1.00 0.00 O ATOM 501 CB THR A 35 8.258 0.536 -5.930 1.00 0.00 C ATOM 502 OG1 THR A 35 8.275 0.088 -7.290 1.00 0.00 O ATOM 503 CG2 THR A 35 8.838 -0.544 -5.029 1.00 0.00 C ATOM 0 H THR A 35 6.715 2.074 -7.232 1.00 0.00 H new ATOM 0 HA THR A 35 6.177 0.020 -5.672 1.00 0.00 H new ATOM 0 HB THR A 35 8.869 1.434 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.194 -0.131 -7.551 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.855 -0.775 -5.346 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.851 -0.190 -3.998 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.224 -1.442 -5.096 1.00 0.00 H new ATOM 511 N PRO A 36 6.332 0.309 -3.193 1.00 0.00 N ATOM 512 CA PRO A 36 6.259 0.504 -1.742 1.00 0.00 C ATOM 513 C PRO A 36 7.637 0.525 -1.090 1.00 0.00 C ATOM 514 O PRO A 36 8.588 -0.064 -1.604 1.00 0.00 O ATOM 515 CB PRO A 36 5.458 -0.708 -1.261 1.00 0.00 C ATOM 516 CG PRO A 36 5.688 -1.751 -2.299 1.00 0.00 C ATOM 517 CD PRO A 36 5.830 -1.014 -3.602 1.00 0.00 C ATOM 0 HA PRO A 36 5.807 1.461 -1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.798 -1.043 -0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.398 -0.470 -1.167 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.585 -2.330 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.856 -2.454 -2.337 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.525 -1.517 -4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.877 -0.938 -4.126 1.00 0.00 H new ATOM 525 N LYS A 37 7.738 1.207 0.046 1.00 0.00 N ATOM 526 CA LYS A 37 8.999 1.304 0.771 1.00 0.00 C ATOM 527 C LYS A 37 8.908 0.596 2.119 1.00 0.00 C ATOM 528 O LYS A 37 7.927 0.752 2.847 1.00 0.00 O ATOM 529 CB LYS A 37 9.380 2.772 0.979 1.00 0.00 C ATOM 530 CG LYS A 37 9.799 3.478 -0.299 1.00 0.00 C ATOM 531 CD LYS A 37 10.767 4.615 -0.016 1.00 0.00 C ATOM 532 CE LYS A 37 10.032 5.902 0.327 1.00 0.00 C ATOM 533 NZ LYS A 37 10.823 7.108 -0.044 1.00 0.00 N ATOM 0 H LYS A 37 6.961 1.701 0.485 1.00 0.00 H new ATOM 0 HA LYS A 37 9.770 0.815 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.532 3.301 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.196 2.828 1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.265 2.762 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.917 3.868 -0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.423 4.339 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.402 4.779 -0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.074 5.922 -0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.816 5.924 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.288 7.964 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.727 7.102 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.007 7.101 -1.068 1.00 0.00 H new ATOM 547 N ILE A 38 9.936 -0.181 2.445 1.00 0.00 N ATOM 548 CA ILE A 38 9.971 -0.910 3.706 1.00 0.00 C ATOM 549 C ILE A 38 11.161 -0.478 4.558 1.00 0.00 C ATOM 550 O ILE A 38 12.291 -0.416 4.076 1.00 0.00 O ATOM 551 CB ILE A 38 10.045 -2.431 3.475 1.00 0.00 C ATOM 552 CG1 ILE A 38 8.848 -2.902 2.646 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.097 -3.167 4.806 1.00 0.00 C ATOM 554 CD1 ILE A 38 8.977 -4.326 2.154 1.00 0.00 C ATOM 0 H ILE A 38 10.755 -0.321 1.853 1.00 0.00 H new ATOM 0 HA ILE A 38 9.046 -0.675 4.232 1.00 0.00 H new ATOM 0 HB ILE A 38 10.957 -2.656 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.943 -2.814 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.727 -2.240 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.149 -4.241 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.978 -2.849 5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.201 -2.939 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.093 -4.592 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.863 -4.415 1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.067 -4.999 3.007 1.00 0.00 H new ATOM 566 N MET A 39 10.897 -0.183 5.826 1.00 0.00 N ATOM 567 CA MET A 39 11.947 0.240 6.746 1.00 0.00 C ATOM 568 C MET A 39 12.895 -0.914 7.057 1.00 0.00 C ATOM 569 O MET A 39 12.480 -2.071 7.115 1.00 0.00 O ATOM 570 CB MET A 39 11.334 0.775 8.042 1.00 0.00 C ATOM 571 CG MET A 39 10.402 1.957 7.830 1.00 0.00 C ATOM 572 SD MET A 39 11.070 3.171 6.677 1.00 0.00 S ATOM 573 CE MET A 39 9.713 3.322 5.519 1.00 0.00 C ATOM 0 H MET A 39 9.966 -0.229 6.240 1.00 0.00 H new ATOM 0 HA MET A 39 12.517 1.036 6.266 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.784 -0.028 8.533 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.136 1.072 8.718 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.444 1.596 7.457 1.00 0.00 H new ATOM 0 HG3 MET A 39 10.210 2.439 8.788 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.682 4.338 5.125 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.855 2.619 4.698 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.774 3.101 6.027 1.00 0.00 H new ATOM 583 N ARG A 40 14.169 -0.590 7.255 1.00 0.00 N ATOM 584 CA ARG A 40 15.175 -1.601 7.558 1.00 0.00 C ATOM 585 C ARG A 40 16.159 -1.090 8.607 1.00 0.00 C ATOM 586 O ARG A 40 16.153 0.090 8.956 1.00 0.00 O ATOM 587 CB ARG A 40 15.929 -1.998 6.287 1.00 0.00 C ATOM 588 CG ARG A 40 15.061 -2.707 5.261 1.00 0.00 C ATOM 589 CD ARG A 40 15.610 -2.537 3.853 1.00 0.00 C ATOM 590 NE ARG A 40 14.664 -2.990 2.838 1.00 0.00 N ATOM 591 CZ ARG A 40 14.550 -4.256 2.451 1.00 0.00 C ATOM 592 NH1 ARG A 40 15.319 -5.189 2.994 1.00 0.00 N ATOM 593 NH2 ARG A 40 13.665 -4.590 1.521 1.00 0.00 N ATOM 0 H ARG A 40 14.528 0.364 7.211 1.00 0.00 H new ATOM 0 HA ARG A 40 14.665 -2.477 7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.356 -1.103 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.762 -2.647 6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.002 -3.768 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.046 -2.313 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.850 -1.488 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.540 -3.097 3.757 1.00 0.00 H new ATOM 0 HE ARG A 40 14.057 -2.296 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.000 -4.936 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.230 -6.160 2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.071 -3.875 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.579 -5.562 1.225 1.00 0.00 H new ATOM 607 N ASP A 41 17.001 -1.988 9.106 1.00 0.00 N ATOM 608 CA ASP A 41 17.991 -1.629 10.115 1.00 0.00 C ATOM 609 C ASP A 41 19.368 -1.443 9.484 1.00 0.00 C ATOM 610 O ASP A 41 19.995 -2.392 9.014 1.00 0.00 O ATOM 611 CB ASP A 41 18.055 -2.703 11.202 1.00 0.00 C ATOM 612 CG ASP A 41 16.802 -2.740 12.055 1.00 0.00 C ATOM 613 OD1 ASP A 41 16.679 -1.893 12.965 1.00 0.00 O ATOM 614 OD2 ASP A 41 15.945 -3.614 11.812 1.00 0.00 O ATOM 0 H ASP A 41 17.018 -2.969 8.829 1.00 0.00 H new ATOM 0 HA ASP A 41 17.688 -0.684 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.203 -3.678 10.737 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.920 -2.519 11.840 1.00 0.00 H new ATOM 619 N PRO A 42 19.849 -0.191 9.471 1.00 0.00 N ATOM 620 CA PRO A 42 21.156 0.148 8.900 1.00 0.00 C ATOM 621 C PRO A 42 22.311 -0.392 9.735 1.00 0.00 C ATOM 622 O PRO A 42 23.479 -0.155 9.424 1.00 0.00 O ATOM 623 CB PRO A 42 21.159 1.679 8.909 1.00 0.00 C ATOM 624 CG PRO A 42 20.216 2.054 10.000 1.00 0.00 C ATOM 625 CD PRO A 42 19.155 0.989 10.014 1.00 0.00 C ATOM 0 HA PRO A 42 21.294 -0.287 7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 42 22.158 2.072 9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.834 2.081 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.730 2.105 10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 42 19.780 3.037 9.819 1.00 0.00 H new ATOM 0 HD2 PRO A 42 18.781 0.807 11.022 1.00 0.00 H new ATOM 0 HD3 PRO A 42 18.297 1.268 9.402 1.00 0.00 H new ATOM 633 N ASP A 43 21.979 -1.119 10.796 1.00 0.00 N ATOM 634 CA ASP A 43 22.990 -1.695 11.676 1.00 0.00 C ATOM 635 C ASP A 43 23.302 -3.133 11.276 1.00 0.00 C ATOM 636 O ASP A 43 24.453 -3.479 11.007 1.00 0.00 O ATOM 637 CB ASP A 43 22.519 -1.647 13.130 1.00 0.00 C ATOM 638 CG ASP A 43 21.962 -0.290 13.514 1.00 0.00 C ATOM 639 OD1 ASP A 43 22.732 0.693 13.498 1.00 0.00 O ATOM 640 OD2 ASP A 43 20.757 -0.212 13.830 1.00 0.00 O ATOM 0 H ASP A 43 21.017 -1.324 11.068 1.00 0.00 H new ATOM 0 HA ASP A 43 23.901 -1.104 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 43 21.754 -2.408 13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 43 23.353 -1.893 13.787 1.00 0.00 H new ATOM 645 N THR A 44 22.270 -3.970 11.240 1.00 0.00 N ATOM 646 CA THR A 44 22.433 -5.371 10.875 1.00 0.00 C ATOM 647 C THR A 44 21.903 -5.640 9.472 1.00 0.00 C ATOM 648 O THR A 44 22.128 -6.709 8.907 1.00 0.00 O ATOM 649 CB THR A 44 21.712 -6.299 11.871 1.00 0.00 C ATOM 650 OG1 THR A 44 20.297 -6.093 11.795 1.00 0.00 O ATOM 651 CG2 THR A 44 22.191 -6.044 13.292 1.00 0.00 C ATOM 0 H THR A 44 21.311 -3.701 11.460 1.00 0.00 H new ATOM 0 HA THR A 44 23.502 -5.581 10.902 1.00 0.00 H new ATOM 0 HB THR A 44 21.944 -7.331 11.606 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.845 -6.688 12.430 1.00 0.00 H new ATOM 0 HG21 THR A 44 21.668 -6.711 13.977 1.00 0.00 H new ATOM 0 HG22 THR A 44 23.263 -6.229 13.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 21.985 -5.009 13.565 1.00 0.00 H new ATOM 659 N GLY A 45 21.197 -4.662 8.913 1.00 0.00 N ATOM 660 CA GLY A 45 20.645 -4.813 7.580 1.00 0.00 C ATOM 661 C GLY A 45 19.467 -5.765 7.544 1.00 0.00 C ATOM 662 O GLY A 45 19.356 -6.592 6.640 1.00 0.00 O ATOM 0 H GLY A 45 20.998 -3.767 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.331 -3.838 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.422 -5.176 6.907 1.00 0.00 H new ATOM 666 N ASN A 46 18.585 -5.650 8.531 1.00 0.00 N ATOM 667 CA ASN A 46 17.409 -6.510 8.610 1.00 0.00 C ATOM 668 C ASN A 46 16.127 -5.685 8.550 1.00 0.00 C ATOM 669 O ASN A 46 16.106 -4.521 8.952 1.00 0.00 O ATOM 670 CB ASN A 46 17.439 -7.333 9.900 1.00 0.00 C ATOM 671 CG ASN A 46 16.251 -8.268 10.016 1.00 0.00 C ATOM 672 OD1 ASN A 46 15.817 -8.865 9.031 1.00 0.00 O ATOM 673 ND2 ASN A 46 15.719 -8.399 11.226 1.00 0.00 N ATOM 0 H ASN A 46 18.662 -4.970 9.287 1.00 0.00 H new ATOM 0 HA ASN A 46 17.426 -7.186 7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.360 -7.914 9.936 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.453 -6.660 10.757 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.918 -9.014 11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.112 -7.884 12.014 1.00 0.00 H new ATOM 680 N SER A 47 15.059 -6.296 8.047 1.00 0.00 N ATOM 681 CA SER A 47 13.774 -5.618 7.932 1.00 0.00 C ATOM 682 C SER A 47 13.321 -5.077 9.284 1.00 0.00 C ATOM 683 O SER A 47 13.320 -5.795 10.285 1.00 0.00 O ATOM 684 CB SER A 47 12.718 -6.574 7.373 1.00 0.00 C ATOM 685 OG SER A 47 13.019 -6.943 6.038 1.00 0.00 O ATOM 0 H SER A 47 15.059 -7.260 7.713 1.00 0.00 H new ATOM 0 HA SER A 47 13.894 -4.779 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.664 -7.466 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.737 -6.099 7.410 1.00 0.00 H new ATOM 0 HG SER A 47 12.330 -7.555 5.705 1.00 0.00 H new ATOM 691 N LYS A 48 12.937 -3.805 9.307 1.00 0.00 N ATOM 692 CA LYS A 48 12.481 -3.165 10.536 1.00 0.00 C ATOM 693 C LYS A 48 11.200 -3.817 11.045 1.00 0.00 C ATOM 694 O LYS A 48 11.196 -4.472 12.087 1.00 0.00 O ATOM 695 CB LYS A 48 12.247 -1.672 10.300 1.00 0.00 C ATOM 696 CG LYS A 48 13.474 -0.815 10.560 1.00 0.00 C ATOM 697 CD LYS A 48 13.681 -0.574 12.046 1.00 0.00 C ATOM 698 CE LYS A 48 14.688 0.539 12.295 1.00 0.00 C ATOM 699 NZ LYS A 48 14.842 0.832 13.747 1.00 0.00 N ATOM 0 H LYS A 48 12.932 -3.197 8.488 1.00 0.00 H new ATOM 0 HA LYS A 48 13.257 -3.290 11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.921 -1.522 9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.435 -1.334 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.355 -1.303 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.367 0.141 10.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.729 -0.315 12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.027 -1.492 12.520 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.654 0.255 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.368 1.442 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.536 1.596 13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.926 1.127 14.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.172 -0.022 14.240 1.00 0.00 H new ATOM 713 N GLY A 49 10.112 -3.635 10.302 1.00 0.00 N ATOM 714 CA GLY A 49 8.840 -4.213 10.695 1.00 0.00 C ATOM 715 C GLY A 49 7.659 -3.485 10.084 1.00 0.00 C ATOM 716 O GLY A 49 6.619 -4.088 9.818 1.00 0.00 O ATOM 0 H GLY A 49 10.089 -3.098 9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.812 -5.260 10.395 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.754 -4.190 11.781 1.00 0.00 H new ATOM 720 N TYR A 50 7.818 -2.185 9.863 1.00 0.00 N ATOM 721 CA TYR A 50 6.755 -1.372 9.283 1.00 0.00 C ATOM 722 C TYR A 50 7.157 -0.850 7.907 1.00 0.00 C ATOM 723 O TYR A 50 8.338 -0.649 7.628 1.00 0.00 O ATOM 724 CB TYR A 50 6.418 -0.201 10.207 1.00 0.00 C ATOM 725 CG TYR A 50 7.633 0.444 10.835 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.307 -0.172 11.883 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.108 1.668 10.380 1.00 0.00 C ATOM 728 CE1 TYR A 50 9.417 0.413 12.460 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.218 2.260 10.951 1.00 0.00 C ATOM 730 CZ TYR A 50 9.869 1.629 11.991 1.00 0.00 C ATOM 731 OH TYR A 50 10.975 2.215 12.562 1.00 0.00 O ATOM 0 H TYR A 50 8.673 -1.671 10.077 1.00 0.00 H new ATOM 0 HA TYR A 50 5.872 -2.001 9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.869 0.552 9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.754 -0.552 10.997 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.957 -1.124 12.252 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.601 2.165 9.566 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.928 -0.079 13.274 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.574 3.212 10.585 1.00 0.00 H new ATOM 0 HH TYR A 50 11.161 3.067 12.115 1.00 0.00 H new ATOM 741 N ALA A 51 6.164 -0.633 7.051 1.00 0.00 N ATOM 742 CA ALA A 51 6.411 -0.132 5.705 1.00 0.00 C ATOM 743 C ALA A 51 5.407 0.952 5.329 1.00 0.00 C ATOM 744 O ALA A 51 4.384 1.122 5.993 1.00 0.00 O ATOM 745 CB ALA A 51 6.361 -1.273 4.699 1.00 0.00 C ATOM 0 H ALA A 51 5.180 -0.796 7.266 1.00 0.00 H new ATOM 0 HA ALA A 51 7.407 0.310 5.686 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.547 -0.884 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.123 -2.012 4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.377 -1.742 4.729 1.00 0.00 H new ATOM 751 N PHE A 52 5.704 1.683 4.260 1.00 0.00 N ATOM 752 CA PHE A 52 4.827 2.752 3.796 1.00 0.00 C ATOM 753 C PHE A 52 4.352 2.486 2.371 1.00 0.00 C ATOM 754 O PHE A 52 5.122 2.035 1.522 1.00 0.00 O ATOM 755 CB PHE A 52 5.551 4.099 3.861 1.00 0.00 C ATOM 756 CG PHE A 52 5.615 4.679 5.245 1.00 0.00 C ATOM 757 CD1 PHE A 52 4.454 4.962 5.946 1.00 0.00 C ATOM 758 CD2 PHE A 52 6.836 4.942 5.845 1.00 0.00 C ATOM 759 CE1 PHE A 52 4.509 5.495 7.220 1.00 0.00 C ATOM 760 CE2 PHE A 52 6.897 5.475 7.118 1.00 0.00 C ATOM 761 CZ PHE A 52 5.733 5.753 7.806 1.00 0.00 C ATOM 0 H PHE A 52 6.546 1.555 3.698 1.00 0.00 H new ATOM 0 HA PHE A 52 3.956 2.783 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.565 3.976 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.046 4.806 3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.495 4.764 5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.750 4.728 5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.597 5.709 7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.855 5.674 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 52 5.779 6.171 8.801 1.00 0.00 H new ATOM 771 N ILE A 53 3.078 2.767 2.117 1.00 0.00 N ATOM 772 CA ILE A 53 2.500 2.559 0.795 1.00 0.00 C ATOM 773 C ILE A 53 1.457 3.625 0.477 1.00 0.00 C ATOM 774 O ILE A 53 0.723 4.072 1.358 1.00 0.00 O ATOM 775 CB ILE A 53 1.848 1.168 0.678 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.822 0.084 1.147 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.407 0.908 -0.754 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.305 -1.322 0.939 1.00 0.00 C ATOM 0 H ILE A 53 2.427 3.139 2.809 1.00 0.00 H new ATOM 0 HA ILE A 53 3.318 2.629 0.078 1.00 0.00 H new ATOM 0 HB ILE A 53 0.967 1.141 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.765 0.199 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.035 0.231 2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.948 -0.079 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.683 1.665 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.273 0.951 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.046 -2.038 1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.377 -1.454 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.119 -1.488 -0.122 1.00 0.00 H new ATOM 790 N ASN A 54 1.395 4.026 -0.788 1.00 0.00 N ATOM 791 CA ASN A 54 0.441 5.039 -1.223 1.00 0.00 C ATOM 792 C ASN A 54 -0.373 4.544 -2.415 1.00 0.00 C ATOM 793 O ASN A 54 0.182 4.057 -3.400 1.00 0.00 O ATOM 794 CB ASN A 54 1.170 6.333 -1.592 1.00 0.00 C ATOM 795 CG ASN A 54 1.416 7.221 -0.388 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.148 6.852 0.531 1.00 0.00 O ATOM 797 ND2 ASN A 54 0.804 8.400 -0.387 1.00 0.00 N ATOM 0 H ASN A 54 1.994 3.665 -1.530 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.241 5.237 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.123 6.089 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.583 6.880 -2.330 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.932 9.040 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.206 8.665 -1.170 1.00 0.00 H new ATOM 804 N PHE A 55 -1.692 4.672 -2.318 1.00 0.00 N ATOM 805 CA PHE A 55 -2.583 4.238 -3.388 1.00 0.00 C ATOM 806 C PHE A 55 -2.841 5.372 -4.376 1.00 0.00 C ATOM 807 O PHE A 55 -2.370 6.493 -4.187 1.00 0.00 O ATOM 808 CB PHE A 55 -3.908 3.741 -2.806 1.00 0.00 C ATOM 809 CG PHE A 55 -3.889 2.289 -2.425 1.00 0.00 C ATOM 810 CD1 PHE A 55 -3.458 1.895 -1.168 1.00 0.00 C ATOM 811 CD2 PHE A 55 -4.301 1.317 -3.322 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.439 0.559 -0.814 1.00 0.00 C ATOM 813 CE2 PHE A 55 -4.284 -0.021 -2.974 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.853 -0.400 -1.718 1.00 0.00 C ATOM 0 H PHE A 55 -2.168 5.073 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.098 3.420 -3.921 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.155 4.336 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.701 3.906 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.133 2.640 -0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.640 1.608 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.101 0.265 0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.607 -0.769 -3.683 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.840 -1.444 -1.443 1.00 0.00 H new ATOM 824 N ALA A 56 -3.592 5.071 -5.430 1.00 0.00 N ATOM 825 CA ALA A 56 -3.915 6.064 -6.446 1.00 0.00 C ATOM 826 C ALA A 56 -5.145 6.875 -6.052 1.00 0.00 C ATOM 827 O ALA A 56 -5.134 8.104 -6.109 1.00 0.00 O ATOM 828 CB ALA A 56 -4.135 5.390 -7.792 1.00 0.00 C ATOM 0 H ALA A 56 -3.988 4.147 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.072 6.750 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.376 6.144 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.228 4.862 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.959 4.681 -7.713 1.00 0.00 H new ATOM 834 N SER A 57 -6.203 6.178 -5.651 1.00 0.00 N ATOM 835 CA SER A 57 -7.443 6.834 -5.251 1.00 0.00 C ATOM 836 C SER A 57 -7.720 6.613 -3.767 1.00 0.00 C ATOM 837 O SER A 57 -7.323 5.598 -3.194 1.00 0.00 O ATOM 838 CB SER A 57 -8.614 6.309 -6.083 1.00 0.00 C ATOM 839 OG SER A 57 -9.200 5.169 -5.477 1.00 0.00 O ATOM 0 H SER A 57 -6.227 5.160 -5.594 1.00 0.00 H new ATOM 0 HA SER A 57 -7.332 7.904 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.364 7.092 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.267 6.055 -7.085 1.00 0.00 H new ATOM 0 HG SER A 57 -9.947 4.854 -6.027 1.00 0.00 H new ATOM 845 N PHE A 58 -8.403 7.571 -3.150 1.00 0.00 N ATOM 846 CA PHE A 58 -8.733 7.483 -1.732 1.00 0.00 C ATOM 847 C PHE A 58 -9.534 6.218 -1.437 1.00 0.00 C ATOM 848 O PHE A 58 -9.225 5.479 -0.502 1.00 0.00 O ATOM 849 CB PHE A 58 -9.527 8.716 -1.294 1.00 0.00 C ATOM 850 CG PHE A 58 -8.678 9.942 -1.113 1.00 0.00 C ATOM 851 CD1 PHE A 58 -8.078 10.552 -2.204 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.481 10.485 0.146 1.00 0.00 C ATOM 853 CE1 PHE A 58 -7.296 11.679 -2.040 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.700 11.613 0.315 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.108 12.211 -0.779 1.00 0.00 C ATOM 0 H PHE A 58 -8.739 8.417 -3.609 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.800 7.441 -1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.298 8.924 -2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.037 8.496 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -8.223 10.142 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -8.943 10.022 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.832 12.144 -2.897 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.553 12.026 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.499 13.093 -0.649 1.00 0.00 H new ATOM 865 N ASP A 59 -10.563 5.976 -2.241 1.00 0.00 N ATOM 866 CA ASP A 59 -11.409 4.800 -2.068 1.00 0.00 C ATOM 867 C ASP A 59 -10.564 3.555 -1.819 1.00 0.00 C ATOM 868 O ASP A 59 -10.880 2.742 -0.951 1.00 0.00 O ATOM 869 CB ASP A 59 -12.291 4.594 -3.300 1.00 0.00 C ATOM 870 CG ASP A 59 -13.530 5.468 -3.277 1.00 0.00 C ATOM 871 OD1 ASP A 59 -14.271 5.420 -2.273 1.00 0.00 O ATOM 872 OD2 ASP A 59 -13.760 6.199 -4.264 1.00 0.00 O ATOM 0 H ASP A 59 -10.832 6.578 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.045 4.966 -1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.713 4.812 -4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.589 3.547 -3.359 1.00 0.00 H new ATOM 877 N ALA A 60 -9.488 3.412 -2.586 1.00 0.00 N ATOM 878 CA ALA A 60 -8.597 2.267 -2.448 1.00 0.00 C ATOM 879 C ALA A 60 -8.100 2.129 -1.013 1.00 0.00 C ATOM 880 O ALA A 60 -8.166 1.050 -0.424 1.00 0.00 O ATOM 881 CB ALA A 60 -7.422 2.394 -3.407 1.00 0.00 C ATOM 0 H ALA A 60 -9.212 4.076 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.159 1.367 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.765 1.532 -3.293 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.791 2.436 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.867 3.305 -3.184 1.00 0.00 H new ATOM 887 N SER A 61 -7.600 3.227 -0.457 1.00 0.00 N ATOM 888 CA SER A 61 -7.087 3.227 0.908 1.00 0.00 C ATOM 889 C SER A 61 -8.160 2.772 1.892 1.00 0.00 C ATOM 890 O SER A 61 -7.864 2.117 2.892 1.00 0.00 O ATOM 891 CB SER A 61 -6.589 4.623 1.289 1.00 0.00 C ATOM 892 OG SER A 61 -6.339 4.713 2.680 1.00 0.00 O ATOM 0 H SER A 61 -7.539 4.128 -0.930 1.00 0.00 H new ATOM 0 HA SER A 61 -6.254 2.526 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.677 4.850 0.737 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.330 5.368 1.001 1.00 0.00 H new ATOM 0 HG SER A 61 -6.517 5.627 2.986 1.00 0.00 H new ATOM 898 N ASP A 62 -9.407 3.125 1.602 1.00 0.00 N ATOM 899 CA ASP A 62 -10.527 2.753 2.460 1.00 0.00 C ATOM 900 C ASP A 62 -10.700 1.238 2.500 1.00 0.00 C ATOM 901 O ASP A 62 -10.797 0.643 3.572 1.00 0.00 O ATOM 902 CB ASP A 62 -11.815 3.414 1.968 1.00 0.00 C ATOM 903 CG ASP A 62 -12.874 3.494 3.050 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.831 4.449 3.852 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.746 2.600 3.095 1.00 0.00 O ATOM 0 H ASP A 62 -9.669 3.668 0.779 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.312 3.103 3.470 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.590 4.418 1.609 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.207 2.852 1.120 1.00 0.00 H new ATOM 910 N ALA A 63 -10.741 0.621 1.323 1.00 0.00 N ATOM 911 CA ALA A 63 -10.902 -0.824 1.224 1.00 0.00 C ATOM 912 C ALA A 63 -9.939 -1.550 2.158 1.00 0.00 C ATOM 913 O ALA A 63 -10.357 -2.350 2.995 1.00 0.00 O ATOM 914 CB ALA A 63 -10.692 -1.281 -0.212 1.00 0.00 C ATOM 0 H ALA A 63 -10.665 1.100 0.425 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.919 -1.073 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.815 -2.362 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.423 -0.796 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.687 -1.012 -0.536 1.00 0.00 H new ATOM 920 N ALA A 64 -8.650 -1.264 2.009 1.00 0.00 N ATOM 921 CA ALA A 64 -7.629 -1.889 2.841 1.00 0.00 C ATOM 922 C ALA A 64 -7.931 -1.692 4.323 1.00 0.00 C ATOM 923 O ALA A 64 -8.186 -2.655 5.047 1.00 0.00 O ATOM 924 CB ALA A 64 -6.256 -1.328 2.502 1.00 0.00 C ATOM 0 H ALA A 64 -8.288 -0.604 1.321 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.634 -2.959 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.503 -1.804 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.031 -1.526 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.249 -0.252 2.678 1.00 0.00 H new ATOM 930 N ILE A 65 -7.900 -0.440 4.767 1.00 0.00 N ATOM 931 CA ILE A 65 -8.172 -0.119 6.162 1.00 0.00 C ATOM 932 C ILE A 65 -9.417 -0.843 6.661 1.00 0.00 C ATOM 933 O ILE A 65 -9.582 -1.059 7.861 1.00 0.00 O ATOM 934 CB ILE A 65 -8.357 1.397 6.365 1.00 0.00 C ATOM 935 CG1 ILE A 65 -7.089 2.147 5.954 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.712 1.698 7.813 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.337 3.590 5.571 1.00 0.00 C ATOM 0 H ILE A 65 -7.689 0.368 4.181 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.307 -0.452 6.736 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.178 1.736 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.375 2.116 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.628 1.630 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.839 2.773 7.940 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.640 1.189 8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.911 1.348 8.464 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.394 4.059 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.026 3.629 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.770 4.122 6.418 1.00 0.00 H new ATOM 949 N GLU A 66 -10.291 -1.217 5.731 1.00 0.00 N ATOM 950 CA GLU A 66 -11.521 -1.918 6.077 1.00 0.00 C ATOM 951 C GLU A 66 -11.251 -3.399 6.327 1.00 0.00 C ATOM 952 O GLU A 66 -11.683 -3.958 7.334 1.00 0.00 O ATOM 953 CB GLU A 66 -12.557 -1.758 4.962 1.00 0.00 C ATOM 954 CG GLU A 66 -13.991 -1.922 5.435 1.00 0.00 C ATOM 955 CD GLU A 66 -15.003 -1.517 4.381 1.00 0.00 C ATOM 956 OE1 GLU A 66 -15.225 -2.305 3.438 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.573 -0.412 4.500 1.00 0.00 O ATOM 0 H GLU A 66 -10.169 -1.046 4.733 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.914 -1.478 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.443 -0.773 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.355 -2.492 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.160 -2.962 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.145 -1.321 6.331 1.00 0.00 H new ATOM 964 N ALA A 67 -10.534 -4.028 5.402 1.00 0.00 N ATOM 965 CA ALA A 67 -10.205 -5.443 5.521 1.00 0.00 C ATOM 966 C ALA A 67 -8.756 -5.635 5.956 1.00 0.00 C ATOM 967 O ALA A 67 -8.484 -6.245 6.990 1.00 0.00 O ATOM 968 CB ALA A 67 -10.462 -6.158 4.203 1.00 0.00 C ATOM 0 H ALA A 67 -10.170 -3.580 4.561 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.847 -5.877 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.212 -7.214 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.514 -6.059 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.845 -5.714 3.422 1.00 0.00 H new ATOM 974 N MET A 68 -7.830 -5.111 5.160 1.00 0.00 N ATOM 975 CA MET A 68 -6.408 -5.225 5.464 1.00 0.00 C ATOM 976 C MET A 68 -6.136 -4.881 6.925 1.00 0.00 C ATOM 977 O MET A 68 -5.268 -5.478 7.560 1.00 0.00 O ATOM 978 CB MET A 68 -5.595 -4.305 4.551 1.00 0.00 C ATOM 979 CG MET A 68 -5.162 -4.966 3.252 1.00 0.00 C ATOM 980 SD MET A 68 -3.581 -5.820 3.401 1.00 0.00 S ATOM 981 CE MET A 68 -4.101 -7.527 3.243 1.00 0.00 C ATOM 0 H MET A 68 -8.038 -4.604 4.300 1.00 0.00 H new ATOM 0 HA MET A 68 -6.105 -6.258 5.290 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.188 -3.420 4.319 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.710 -3.963 5.088 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.926 -5.677 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.090 -4.210 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.860 -8.067 4.159 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.177 -7.565 3.071 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.583 -7.989 2.403 1.00 0.00 H new ATOM 991 N ASN A 69 -6.882 -3.916 7.450 1.00 0.00 N ATOM 992 CA ASN A 69 -6.720 -3.493 8.837 1.00 0.00 C ATOM 993 C ASN A 69 -6.919 -4.667 9.791 1.00 0.00 C ATOM 994 O ASN A 69 -7.984 -4.823 10.386 1.00 0.00 O ATOM 995 CB ASN A 69 -7.711 -2.376 9.170 1.00 0.00 C ATOM 996 CG ASN A 69 -7.598 -1.914 10.611 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.844 -2.484 11.399 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.351 -0.878 10.960 1.00 0.00 N ATOM 0 H ASN A 69 -7.605 -3.412 6.937 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.704 -3.117 8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.538 -1.530 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.726 -2.726 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.319 -0.523 11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.962 -0.437 10.272 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.884 -5.490 9.931 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.965 -6.639 10.814 1.00 0.00 C ATOM 1007 C GLY A 70 -5.679 -7.943 10.096 1.00 0.00 C ATOM 1008 O GLY A 70 -5.421 -8.965 10.732 1.00 0.00 O ATOM 0 H GLY A 70 -4.992 -5.382 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.256 -6.515 11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.959 -6.683 11.258 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.726 -7.909 8.768 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.472 -9.099 7.965 1.00 0.00 C ATOM 1014 C GLN A 71 -4.287 -9.885 8.516 1.00 0.00 C ATOM 1015 O GLN A 71 -3.212 -9.330 8.743 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.207 -8.709 6.509 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.461 -8.673 5.651 1.00 0.00 C ATOM 1018 CD GLN A 71 -6.984 -10.057 5.322 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -8.017 -10.483 5.840 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -6.271 -10.769 4.457 1.00 0.00 N ATOM 0 H GLN A 71 -5.937 -7.071 8.226 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.357 -9.733 8.010 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.732 -7.728 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.500 -9.416 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.236 -8.110 6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.247 -8.140 4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.421 -10.377 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.573 -11.708 4.198 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.492 -11.180 8.730 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.442 -12.043 9.258 1.00 0.00 C ATOM 1031 C TYR A 72 -2.425 -12.390 8.174 1.00 0.00 C ATOM 1032 O TYR A 72 -2.651 -13.285 7.359 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.047 -13.324 9.834 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.267 -13.892 10.999 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.369 -13.333 12.267 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.428 -14.987 10.831 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.658 -13.848 13.333 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.715 -15.509 11.892 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.833 -14.936 13.141 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.122 -15.452 14.201 1.00 0.00 O ATOM 0 H TYR A 72 -5.376 -11.655 8.546 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.928 -11.502 10.053 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.068 -13.121 10.156 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.105 -14.075 9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.015 -12.482 12.421 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.332 -15.437 9.854 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.748 -13.401 14.312 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.068 -16.361 11.745 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.590 -16.217 13.897 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.306 -11.675 8.173 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.252 -11.906 7.190 1.00 0.00 C ATOM 1052 C LEU A 73 0.719 -12.978 7.675 1.00 0.00 C ATOM 1053 O LEU A 73 0.625 -13.448 8.810 1.00 0.00 O ATOM 1054 CB LEU A 73 0.503 -10.606 6.908 1.00 0.00 C ATOM 1055 CG LEU A 73 1.300 -10.563 5.604 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.483 -11.140 4.459 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.730 -9.137 5.289 1.00 0.00 C ATOM 0 H LEU A 73 -1.104 -10.931 8.841 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.718 -12.255 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.216 -9.787 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.188 -10.420 7.735 1.00 0.00 H new ATOM 0 HG LEU A 73 2.195 -11.173 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.067 -11.101 3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.226 -12.176 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.430 -10.558 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.296 -9.125 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.848 -8.505 5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.354 -8.758 6.098 1.00 0.00 H new ATOM 1069 N CYS A 74 1.653 -13.357 6.810 1.00 0.00 N ATOM 1070 CA CYS A 74 2.644 -14.372 7.151 1.00 0.00 C ATOM 1071 C CYS A 74 2.962 -14.342 8.642 1.00 0.00 C ATOM 1072 O CYS A 74 3.861 -13.625 9.080 1.00 0.00 O ATOM 1073 CB CYS A 74 3.922 -14.160 6.340 1.00 0.00 C ATOM 1074 SG CYS A 74 3.939 -15.020 4.750 1.00 0.00 S ATOM 0 H CYS A 74 1.745 -12.977 5.868 1.00 0.00 H new ATOM 0 HA CYS A 74 2.226 -15.349 6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.055 -13.092 6.165 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.774 -14.495 6.931 1.00 0.00 H new ATOM 0 HG CYS A 74 5.060 -14.777 4.137 1.00 0.00 H new ATOM 1080 N ASN A 75 2.218 -15.125 9.417 1.00 0.00 N ATOM 1081 CA ASN A 75 2.420 -15.186 10.860 1.00 0.00 C ATOM 1082 C ASN A 75 2.728 -13.803 11.426 1.00 0.00 C ATOM 1083 O ASN A 75 3.688 -13.627 12.176 1.00 0.00 O ATOM 1084 CB ASN A 75 3.559 -16.151 11.196 1.00 0.00 C ATOM 1085 CG ASN A 75 3.511 -17.415 10.359 1.00 0.00 C ATOM 1086 OD1 ASN A 75 4.227 -17.542 9.365 1.00 0.00 O ATOM 1087 ND2 ASN A 75 2.665 -18.358 10.759 1.00 0.00 N ATOM 0 H ASN A 75 1.470 -15.726 9.070 1.00 0.00 H new ATOM 0 HA ASN A 75 1.498 -15.548 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.514 -15.650 11.039 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.508 -16.416 12.252 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.589 -19.231 10.236 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.091 -18.209 11.589 1.00 0.00 H new ATOM 1094 N ARG A 76 1.907 -12.824 11.060 1.00 0.00 N ATOM 1095 CA ARG A 76 2.091 -11.456 11.530 1.00 0.00 C ATOM 1096 C ARG A 76 0.902 -10.583 11.141 1.00 0.00 C ATOM 1097 O ARG A 76 0.724 -10.215 9.979 1.00 0.00 O ATOM 1098 CB ARG A 76 3.380 -10.866 10.955 1.00 0.00 C ATOM 1099 CG ARG A 76 4.629 -11.269 11.722 1.00 0.00 C ATOM 1100 CD ARG A 76 5.671 -10.162 11.712 1.00 0.00 C ATOM 1101 NE ARG A 76 6.985 -10.642 12.130 1.00 0.00 N ATOM 1102 CZ ARG A 76 8.034 -9.848 12.315 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.922 -8.541 12.120 1.00 0.00 N ATOM 1104 NH2 ARG A 76 9.197 -10.360 12.696 1.00 0.00 N ATOM 0 H ARG A 76 1.108 -12.953 10.439 1.00 0.00 H new ATOM 0 HA ARG A 76 2.163 -11.479 12.617 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.483 -11.183 9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.302 -9.779 10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.363 -11.510 12.751 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.052 -12.172 11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.742 -9.740 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.351 -9.358 12.375 1.00 0.00 H new ATOM 0 HE ARG A 76 7.104 -11.642 12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.029 -8.144 11.827 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.729 -7.933 12.263 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.287 -11.365 12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.001 -9.749 12.838 1.00 0.00 H new ATOM 1118 N PRO A 77 0.068 -10.241 12.134 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.118 -9.407 11.921 1.00 0.00 C ATOM 1120 C PRO A 77 -0.759 -7.962 11.594 1.00 0.00 C ATOM 1121 O PRO A 77 -0.408 -7.184 12.481 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.853 -9.486 13.261 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.790 -9.789 14.259 1.00 0.00 C ATOM 1124 CD PRO A 77 0.219 -10.643 13.543 1.00 0.00 C ATOM 0 HA PRO A 77 -1.711 -9.751 11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.357 -8.547 13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.617 -10.263 13.248 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.332 -8.873 14.631 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -1.202 -10.312 15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.230 -10.461 13.907 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.017 -11.705 13.682 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.850 -7.609 10.316 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.537 -6.256 9.874 1.00 0.00 C ATOM 1134 C ILE A 78 -1.659 -5.287 10.229 1.00 0.00 C ATOM 1135 O ILE A 78 -2.769 -5.701 10.565 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.290 -6.203 8.354 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.569 -6.561 7.595 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.842 -7.144 7.969 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -1.412 -6.515 6.091 1.00 0.00 C ATOM 0 H ILE A 78 -1.138 -8.241 9.569 1.00 0.00 H new ATOM 0 HA ILE A 78 0.374 -5.958 10.393 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.001 -5.188 8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.888 -7.561 7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.362 -5.874 7.891 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.005 -7.096 6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.754 -6.848 8.488 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.579 -8.164 8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.358 -6.780 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.123 -5.509 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.642 -7.223 5.784 1.00 0.00 H new ATOM 1151 N THR A 79 -1.365 -3.993 10.149 1.00 0.00 N ATOM 1152 CA THR A 79 -2.349 -2.964 10.462 1.00 0.00 C ATOM 1153 C THR A 79 -2.290 -1.823 9.452 1.00 0.00 C ATOM 1154 O THR A 79 -1.212 -1.332 9.117 1.00 0.00 O ATOM 1155 CB THR A 79 -2.136 -2.394 11.877 1.00 0.00 C ATOM 1156 OG1 THR A 79 -2.877 -1.179 12.032 1.00 0.00 O ATOM 1157 CG2 THR A 79 -0.660 -2.131 12.138 1.00 0.00 C ATOM 0 H THR A 79 -0.453 -3.633 9.870 1.00 0.00 H new ATOM 0 HA THR A 79 -3.329 -3.438 10.414 1.00 0.00 H new ATOM 0 HB THR A 79 -2.491 -3.130 12.599 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.738 -0.824 12.935 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.534 -1.729 13.143 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.103 -3.063 12.048 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.284 -1.412 11.410 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.457 -1.405 8.971 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.538 -0.320 8.000 1.00 0.00 C ATOM 1167 C VAL A 80 -4.163 0.925 8.619 1.00 0.00 C ATOM 1168 O VAL A 80 -5.263 0.871 9.171 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.359 -0.733 6.764 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.339 0.370 5.717 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.832 -2.038 6.187 1.00 0.00 C ATOM 0 H VAL A 80 -4.358 -1.801 9.238 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.517 -0.095 7.690 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.393 -0.890 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.924 0.060 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.768 1.279 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.311 0.562 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.423 -2.315 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.790 -1.912 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.905 -2.824 6.939 1.00 0.00 H new ATOM 1181 N SER A 81 -3.456 2.046 8.524 1.00 0.00 N ATOM 1182 CA SER A 81 -3.940 3.305 9.078 1.00 0.00 C ATOM 1183 C SER A 81 -3.330 4.493 8.340 1.00 0.00 C ATOM 1184 O SER A 81 -2.130 4.518 8.064 1.00 0.00 O ATOM 1185 CB SER A 81 -3.608 3.392 10.569 1.00 0.00 C ATOM 1186 OG SER A 81 -4.526 2.635 11.340 1.00 0.00 O ATOM 0 H SER A 81 -2.546 2.108 8.068 1.00 0.00 H new ATOM 0 HA SER A 81 -5.022 3.337 8.951 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.595 3.027 10.741 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.630 4.433 10.890 1.00 0.00 H new ATOM 0 HG SER A 81 -4.937 1.947 10.776 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.165 5.476 8.023 1.00 0.00 N ATOM 1193 CA TYR A 82 -3.710 6.667 7.315 1.00 0.00 C ATOM 1194 C TYR A 82 -2.495 7.279 8.004 1.00 0.00 C ATOM 1195 O TYR A 82 -2.572 7.716 9.151 1.00 0.00 O ATOM 1196 CB TYR A 82 -4.837 7.698 7.232 1.00 0.00 C ATOM 1197 CG TYR A 82 -5.760 7.492 6.052 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.291 7.603 4.749 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.102 7.185 6.241 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.131 7.417 3.669 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -7.950 6.996 5.167 1.00 0.00 C ATOM 1202 CZ TYR A 82 -7.460 7.113 3.883 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.300 6.925 2.809 1.00 0.00 O ATOM 0 H TYR A 82 -5.161 5.472 8.245 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.422 6.372 6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.422 7.660 8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.402 8.696 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.251 7.839 4.578 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.489 7.093 7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.750 7.509 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.990 6.758 5.332 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.202 6.717 3.131 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.372 7.308 7.293 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.140 7.869 7.834 1.00 0.00 C ATOM 1215 C ALA A 83 -0.428 9.081 8.713 1.00 0.00 C ATOM 1216 O ALA A 83 -0.578 10.198 8.218 1.00 0.00 O ATOM 1217 CB ALA A 83 0.808 8.247 6.705 1.00 0.00 C ATOM 0 H ALA A 83 -1.290 6.950 6.342 1.00 0.00 H new ATOM 0 HA ALA A 83 0.335 7.108 8.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.724 8.665 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.048 7.360 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.332 8.988 6.063 1.00 0.00 H new ATOM 1223 N PHE A 84 -0.505 8.853 10.020 1.00 0.00 N ATOM 1224 CA PHE A 84 -0.777 9.927 10.968 1.00 0.00 C ATOM 1225 C PHE A 84 0.146 11.117 10.722 1.00 0.00 C ATOM 1226 O PHE A 84 1.329 10.950 10.425 1.00 0.00 O ATOM 1227 CB PHE A 84 -0.607 9.424 12.403 1.00 0.00 C ATOM 1228 CG PHE A 84 0.752 8.846 12.679 1.00 0.00 C ATOM 1229 CD1 PHE A 84 1.050 7.542 12.320 1.00 0.00 C ATOM 1230 CD2 PHE A 84 1.730 9.608 13.297 1.00 0.00 C ATOM 1231 CE1 PHE A 84 2.300 7.008 12.573 1.00 0.00 C ATOM 1232 CE2 PHE A 84 2.982 9.079 13.553 1.00 0.00 C ATOM 1233 CZ PHE A 84 3.267 7.778 13.189 1.00 0.00 C ATOM 0 H PHE A 84 -0.383 7.935 10.447 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.807 10.253 10.824 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.789 10.248 13.092 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.363 8.666 12.606 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.298 6.936 11.837 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.512 10.627 13.582 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.520 5.989 12.289 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.736 9.683 14.037 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.245 7.363 13.386 1.00 0.00 H new ATOM 1243 N LYS A 85 -0.404 12.320 10.847 1.00 0.00 N ATOM 1244 CA LYS A 85 0.367 13.540 10.639 1.00 0.00 C ATOM 1245 C LYS A 85 -0.313 14.733 11.304 1.00 0.00 C ATOM 1246 O LYS A 85 -1.443 15.085 10.965 1.00 0.00 O ATOM 1247 CB LYS A 85 0.543 13.808 9.143 1.00 0.00 C ATOM 1248 CG LYS A 85 1.762 13.128 8.543 1.00 0.00 C ATOM 1249 CD LYS A 85 2.078 13.670 7.159 1.00 0.00 C ATOM 1250 CE LYS A 85 2.728 15.043 7.233 1.00 0.00 C ATOM 1251 NZ LYS A 85 4.211 14.951 7.322 1.00 0.00 N ATOM 0 H LYS A 85 -1.382 12.476 11.092 1.00 0.00 H new ATOM 0 HA LYS A 85 1.348 13.403 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.348 13.470 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.621 14.883 8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.621 13.276 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.588 12.054 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.742 12.979 6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.161 13.732 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.452 15.623 6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.345 15.580 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.616 15.908 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.475 14.419 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.580 14.461 6.482 1.00 0.00 H new ATOM 1265 N LYS A 86 0.384 15.353 12.250 1.00 0.00 N ATOM 1266 CA LYS A 86 -0.151 16.509 12.960 1.00 0.00 C ATOM 1267 C LYS A 86 0.341 17.809 12.332 1.00 0.00 C ATOM 1268 O LYS A 86 1.546 18.048 12.239 1.00 0.00 O ATOM 1269 CB LYS A 86 0.253 16.459 14.436 1.00 0.00 C ATOM 1270 CG LYS A 86 -0.752 17.118 15.364 1.00 0.00 C ATOM 1271 CD LYS A 86 -0.458 18.598 15.544 1.00 0.00 C ATOM 1272 CE LYS A 86 0.521 18.837 16.684 1.00 0.00 C ATOM 1273 NZ LYS A 86 1.928 18.580 16.269 1.00 0.00 N ATOM 0 H LYS A 86 1.321 15.074 12.543 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.238 16.478 12.885 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.382 15.418 14.734 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.220 16.947 14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.757 16.992 14.962 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.733 16.622 16.334 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.047 19.004 14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.387 19.133 15.742 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.427 19.865 17.034 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.266 18.190 17.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.568 19.191 16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.166 17.583 16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.034 18.786 15.255 1.00 0.00 H new ATOM 1287 N ASP A 87 -0.597 18.646 11.904 1.00 0.00 N ATOM 1288 CA ASP A 87 -0.259 19.924 11.287 1.00 0.00 C ATOM 1289 C ASP A 87 -0.507 21.077 12.254 1.00 0.00 C ATOM 1290 O ASP A 87 -1.207 20.921 13.255 1.00 0.00 O ATOM 1291 CB ASP A 87 -1.073 20.129 10.009 1.00 0.00 C ATOM 1292 CG ASP A 87 -0.616 21.339 9.219 1.00 0.00 C ATOM 1293 OD1 ASP A 87 0.598 21.630 9.231 1.00 0.00 O ATOM 1294 OD2 ASP A 87 -1.472 21.995 8.589 1.00 0.00 O ATOM 0 H ASP A 87 -1.598 18.463 11.973 1.00 0.00 H new ATOM 0 HA ASP A 87 0.801 19.908 11.034 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.993 19.239 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.126 20.244 10.267 1.00 0.00 H new ATOM 1299 N SER A 88 0.072 22.234 11.948 1.00 0.00 N ATOM 1300 CA SER A 88 -0.083 23.413 12.793 1.00 0.00 C ATOM 1301 C SER A 88 -1.412 24.110 12.515 1.00 0.00 C ATOM 1302 O SER A 88 -2.078 23.828 11.519 1.00 0.00 O ATOM 1303 CB SER A 88 1.074 24.387 12.562 1.00 0.00 C ATOM 1304 OG SER A 88 1.071 25.421 13.531 1.00 0.00 O ATOM 0 H SER A 88 0.652 22.380 11.122 1.00 0.00 H new ATOM 0 HA SER A 88 -0.074 23.088 13.833 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.021 23.848 12.603 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.996 24.819 11.564 1.00 0.00 H new ATOM 0 HG SER A 88 1.821 26.029 13.363 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.791 25.021 13.404 1.00 0.00 N ATOM 1311 CA LYS A 89 -3.039 25.761 13.256 1.00 0.00 C ATOM 1312 C LYS A 89 -2.824 27.249 13.516 1.00 0.00 C ATOM 1313 O LYS A 89 -2.226 27.633 14.520 1.00 0.00 O ATOM 1314 CB LYS A 89 -4.098 25.213 14.216 1.00 0.00 C ATOM 1315 CG LYS A 89 -4.439 23.753 13.975 1.00 0.00 C ATOM 1316 CD LYS A 89 -5.348 23.584 12.769 1.00 0.00 C ATOM 1317 CE LYS A 89 -5.816 22.145 12.620 1.00 0.00 C ATOM 1318 NZ LYS A 89 -7.070 22.049 11.823 1.00 0.00 N ATOM 0 H LYS A 89 -1.252 25.265 14.235 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.387 25.636 12.231 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.744 25.331 15.240 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.005 25.810 14.122 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.522 23.185 13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.926 23.341 14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.213 24.240 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.818 23.890 11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.034 21.557 12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.979 21.712 13.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.356 21.052 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -7.823 22.589 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.908 22.439 10.872 1.00 0.00 H new ATOM 1332 N GLY A 90 -3.317 28.082 12.604 1.00 0.00 N ATOM 1333 CA GLY A 90 -3.169 29.518 12.754 1.00 0.00 C ATOM 1334 C GLY A 90 -4.357 30.153 13.448 1.00 0.00 C ATOM 1335 O GLY A 90 -4.192 31.002 14.324 1.00 0.00 O ATOM 0 H GLY A 90 -3.816 27.788 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.264 29.729 13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.041 29.972 11.771 1.00 0.00 H new ATOM 1339 N SER A 91 -5.559 29.744 13.054 1.00 0.00 N ATOM 1340 CA SER A 91 -6.780 30.283 13.640 1.00 0.00 C ATOM 1341 C SER A 91 -6.718 31.805 13.721 1.00 0.00 C ATOM 1342 O SER A 91 -6.937 32.392 14.780 1.00 0.00 O ATOM 1343 CB SER A 91 -7.004 29.696 15.035 1.00 0.00 C ATOM 1344 OG SER A 91 -6.798 28.294 15.038 1.00 0.00 O ATOM 0 H SER A 91 -5.713 29.041 12.331 1.00 0.00 H new ATOM 0 HA SER A 91 -7.615 30.004 12.998 1.00 0.00 H new ATOM 0 HB2 SER A 91 -6.325 30.168 15.745 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.018 29.918 15.368 1.00 0.00 H new ATOM 0 HG SER A 91 -6.946 27.944 15.941 1.00 0.00 H new ATOM 1350 N GLY A 92 -6.418 32.439 12.591 1.00 0.00 N ATOM 1351 CA GLY A 92 -6.331 33.888 12.554 1.00 0.00 C ATOM 1352 C GLY A 92 -7.662 34.540 12.237 1.00 0.00 C ATOM 1353 O GLY A 92 -8.471 34.010 11.474 1.00 0.00 O ATOM 0 H GLY A 92 -6.234 31.976 11.701 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.971 34.252 13.516 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.596 34.186 11.806 1.00 0.00 H new ATOM 1357 N PRO A 93 -7.906 35.717 12.831 1.00 0.00 N ATOM 1358 CA PRO A 93 -9.148 36.467 12.623 1.00 0.00 C ATOM 1359 C PRO A 93 -9.247 37.046 11.216 1.00 0.00 C ATOM 1360 O PRO A 93 -8.265 37.071 10.475 1.00 0.00 O ATOM 1361 CB PRO A 93 -9.061 37.591 13.659 1.00 0.00 C ATOM 1362 CG PRO A 93 -7.603 37.771 13.902 1.00 0.00 C ATOM 1363 CD PRO A 93 -6.987 36.407 13.752 1.00 0.00 C ATOM 0 HA PRO A 93 -10.029 35.835 12.732 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.516 38.509 13.287 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.585 37.325 14.577 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.172 38.474 13.189 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.420 38.174 14.898 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.978 36.465 13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.915 35.891 14.709 1.00 0.00 H new ATOM 1371 N SER A 94 -10.439 37.511 10.855 1.00 0.00 N ATOM 1372 CA SER A 94 -10.667 38.087 9.535 1.00 0.00 C ATOM 1373 C SER A 94 -11.895 38.992 9.542 1.00 0.00 C ATOM 1374 O SER A 94 -12.853 38.751 10.276 1.00 0.00 O ATOM 1375 CB SER A 94 -10.842 36.979 8.495 1.00 0.00 C ATOM 1376 OG SER A 94 -9.596 36.392 8.161 1.00 0.00 O ATOM 0 H SER A 94 -11.261 37.500 11.458 1.00 0.00 H new ATOM 0 HA SER A 94 -9.796 38.688 9.273 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.515 36.215 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.307 37.388 7.598 1.00 0.00 H new ATOM 0 HG SER A 94 -8.930 36.630 8.839 1.00 0.00 H new ATOM 1382 N SER A 95 -11.858 40.035 8.718 1.00 0.00 N ATOM 1383 CA SER A 95 -12.966 40.979 8.631 1.00 0.00 C ATOM 1384 C SER A 95 -14.301 40.245 8.557 1.00 0.00 C ATOM 1385 O SER A 95 -14.385 39.138 8.028 1.00 0.00 O ATOM 1386 CB SER A 95 -12.799 41.882 7.408 1.00 0.00 C ATOM 1387 OG SER A 95 -11.589 42.616 7.476 1.00 0.00 O ATOM 0 H SER A 95 -11.073 40.247 8.102 1.00 0.00 H new ATOM 0 HA SER A 95 -12.959 41.593 9.531 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.810 41.277 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.642 42.570 7.343 1.00 0.00 H new ATOM 0 HG SER A 95 -11.506 43.184 6.682 1.00 0.00 H new ATOM 1393 N GLY A 96 -15.345 40.872 9.093 1.00 0.00 N ATOM 1394 CA GLY A 96 -16.663 40.264 9.078 1.00 0.00 C ATOM 1395 C GLY A 96 -17.320 40.338 7.714 1.00 0.00 C ATOM 1396 O GLY A 96 -16.637 40.411 6.692 1.00 0.00 O ATOM 0 H GLY A 96 -15.301 41.789 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -16.582 39.221 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.298 40.762 9.811 1.00 0.00 H new TER 1400 GLY A 96