USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot -149:sc= 0.628 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.389 X(o=-6.7,f=-6.2) USER MOD Set 1.3: A 60 CYS SG : rot 158:sc= -2.89 USER MOD Set 1.4: A 73 HIS : no HD1:sc= -2.84 X(o=-6.7,f=-6.8) USER MOD Set 1.5: A 78 HIS : no HE2:sc= -1.2 K(o=-6.7,f=-7.8) USER MOD Set 2.1: A 27 CYS SG : rot 100:sc= -0.0693 USER MOD Set 2.2: A 30 CYS SG : rot -84:sc= -1.65 USER MOD Set 2.3: A 44 HIS : no HD1:sc= -1.21 X(o=-2.3,f=-2.3) USER MOD Set 2.4: A 48 CYS SG : rot 166:sc= 0.672 USER MOD Single : A 14 GLN : amide:sc= -0.0812 K(o=-0.081,f=-1.1!) USER MOD Single : A 16 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 20 HIS :FLIP no HD1:sc= -2.7 F(o=-5.2!,f=-2.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.7!) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.413 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0305 (180deg=-0.247) USER MOD Single : A 37 THR OG1 : rot -17:sc= 1.06 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0296 (180deg=-0.316) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -178:sc= -1.35 (180deg=-1.46) USER MOD Single : A 49 GLN : amide:sc= -0.0146 X(o=-0.015,f=-0.43) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0691 K(o=-0.069,f=-0.71) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0578) USER MOD Single : A 63 GLN : amide:sc= -3.37! C(o=-3.4!,f=-5.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.747 X(o=-0.75,f=-0.95) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 83:sc= 1.11 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -4.895 16.615 -7.407 1.00 0.00 N ATOM 95 CA PRO A 11 -4.779 15.889 -8.675 1.00 0.00 C ATOM 96 C PRO A 11 -3.382 15.997 -9.278 1.00 0.00 C ATOM 97 O PRO A 11 -2.981 15.162 -10.088 1.00 0.00 O ATOM 98 CB PRO A 11 -5.805 16.581 -9.576 1.00 0.00 C ATOM 99 CG PRO A 11 -5.940 17.953 -9.011 1.00 0.00 C ATOM 100 CD PRO A 11 -5.746 17.811 -7.527 1.00 0.00 C ATOM 0 HA PRO A 11 -4.954 14.820 -8.550 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.466 16.611 -10.612 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.759 16.054 -9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.197 18.626 -9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.920 18.374 -9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.266 18.691 -7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.696 17.682 -7.008 1.00 0.00 H new ATOM 108 N GLU A 12 -2.648 17.030 -8.878 1.00 0.00 N ATOM 109 CA GLU A 12 -1.296 17.245 -9.381 1.00 0.00 C ATOM 110 C GLU A 12 -0.331 17.542 -8.236 1.00 0.00 C ATOM 111 O GLU A 12 0.016 18.697 -7.988 1.00 0.00 O ATOM 112 CB GLU A 12 -1.280 18.397 -10.388 1.00 0.00 C ATOM 113 CG GLU A 12 -2.269 18.222 -11.528 1.00 0.00 C ATOM 114 CD GLU A 12 -2.766 19.545 -12.077 1.00 0.00 C ATOM 115 OE1 GLU A 12 -1.948 20.481 -12.200 1.00 0.00 O ATOM 116 OE2 GLU A 12 -3.972 19.646 -12.384 1.00 0.00 O ATOM 0 H GLU A 12 -2.966 17.730 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.971 16.332 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.501 19.328 -9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.276 18.494 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.797 17.655 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.119 17.635 -11.180 1.00 0.00 H new ATOM 123 N GLU A 13 0.098 16.492 -7.544 1.00 0.00 N ATOM 124 CA GLU A 13 1.022 16.641 -6.425 1.00 0.00 C ATOM 125 C GLU A 13 2.466 16.459 -6.884 1.00 0.00 C ATOM 126 O GLU A 13 3.310 17.329 -6.670 1.00 0.00 O ATOM 127 CB GLU A 13 0.694 15.629 -5.326 1.00 0.00 C ATOM 128 CG GLU A 13 1.726 15.583 -4.212 1.00 0.00 C ATOM 129 CD GLU A 13 1.652 14.305 -3.399 1.00 0.00 C ATOM 130 OE1 GLU A 13 2.285 13.307 -3.802 1.00 0.00 O ATOM 131 OE2 GLU A 13 0.960 14.304 -2.360 1.00 0.00 O ATOM 0 H GLU A 13 -0.179 15.530 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 13 0.910 17.649 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.279 15.872 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.608 14.638 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.723 15.678 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.580 16.438 -3.552 1.00 0.00 H new ATOM 138 N GLN A 14 2.741 15.323 -7.516 1.00 0.00 N ATOM 139 CA GLN A 14 4.083 15.026 -8.004 1.00 0.00 C ATOM 140 C GLN A 14 4.290 15.591 -9.406 1.00 0.00 C ATOM 141 O GLN A 14 5.320 16.199 -9.694 1.00 0.00 O ATOM 142 CB GLN A 14 4.325 13.516 -8.009 1.00 0.00 C ATOM 143 CG GLN A 14 5.779 13.131 -7.791 1.00 0.00 C ATOM 144 CD GLN A 14 6.163 13.110 -6.324 1.00 0.00 C ATOM 145 OE1 GLN A 14 5.359 12.748 -5.465 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.398 13.500 -6.030 1.00 0.00 N ATOM 0 H GLN A 14 2.053 14.593 -7.702 1.00 0.00 H new ATOM 0 HA GLN A 14 4.799 15.499 -7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.716 13.056 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.988 13.106 -8.961 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.959 12.147 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.421 13.835 -8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.031 13.792 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.713 13.507 -5.060 1.00 0.00 H new ATOM 155 N TRP A 15 3.305 15.384 -10.272 1.00 0.00 N ATOM 156 CA TRP A 15 3.379 15.872 -11.644 1.00 0.00 C ATOM 157 C TRP A 15 3.594 17.382 -11.674 1.00 0.00 C ATOM 158 O TRP A 15 4.305 17.899 -12.536 1.00 0.00 O ATOM 159 CB TRP A 15 2.103 15.511 -12.406 1.00 0.00 C ATOM 160 CG TRP A 15 1.939 14.038 -12.627 1.00 0.00 C ATOM 161 CD1 TRP A 15 2.928 13.135 -12.894 1.00 0.00 C ATOM 162 CD2 TRP A 15 0.714 13.298 -12.601 1.00 0.00 C ATOM 163 NE1 TRP A 15 2.391 11.878 -13.036 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.034 11.951 -12.860 1.00 0.00 C ATOM 165 CE3 TRP A 15 -0.623 13.642 -12.381 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.066 10.952 -12.906 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -1.582 12.649 -12.428 1.00 0.00 C ATOM 168 CH2 TRP A 15 -1.234 11.317 -12.688 1.00 0.00 C ATOM 0 H TRP A 15 2.446 14.882 -10.049 1.00 0.00 H new ATOM 0 HA TRP A 15 4.230 15.393 -12.128 1.00 0.00 H new ATOM 0 HB2 TRP A 15 1.241 15.886 -11.855 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.109 16.017 -13.371 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.978 13.374 -12.981 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.917 11.028 -13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -0.901 14.666 -12.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.332 9.925 -13.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.618 12.904 -12.261 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -2.007 10.564 -12.717 1.00 0.00 H new ATOM 179 N GLN A 16 2.976 18.082 -10.729 1.00 0.00 N ATOM 180 CA GLN A 16 3.100 19.533 -10.649 1.00 0.00 C ATOM 181 C GLN A 16 4.520 19.937 -10.263 1.00 0.00 C ATOM 182 O GLN A 16 4.998 21.003 -10.650 1.00 0.00 O ATOM 183 CB GLN A 16 2.104 20.096 -9.634 1.00 0.00 C ATOM 184 CG GLN A 16 2.275 21.584 -9.375 1.00 0.00 C ATOM 185 CD GLN A 16 1.577 22.441 -10.412 1.00 0.00 C ATOM 186 OE1 GLN A 16 0.350 22.548 -10.422 1.00 0.00 O ATOM 187 NE2 GLN A 16 2.356 23.058 -11.292 1.00 0.00 N ATOM 0 H GLN A 16 2.385 17.669 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 16 2.878 19.946 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.091 19.912 -9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.213 19.557 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.883 21.824 -8.387 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.337 21.827 -9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.368 22.941 -11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.942 23.649 -12.013 1.00 0.00 H new ATOM 196 N ARG A 17 5.187 19.078 -9.499 1.00 0.00 N ATOM 197 CA ARG A 17 6.551 19.347 -9.060 1.00 0.00 C ATOM 198 C ARG A 17 7.563 18.798 -10.062 1.00 0.00 C ATOM 199 O ARG A 17 8.680 19.301 -10.170 1.00 0.00 O ATOM 200 CB ARG A 17 6.797 18.731 -7.682 1.00 0.00 C ATOM 201 CG ARG A 17 8.228 18.264 -7.469 1.00 0.00 C ATOM 202 CD ARG A 17 8.628 18.344 -6.004 1.00 0.00 C ATOM 203 NE ARG A 17 10.074 18.457 -5.837 1.00 0.00 N ATOM 204 CZ ARG A 17 10.654 18.888 -4.723 1.00 0.00 C ATOM 205 NH1 ARG A 17 9.914 19.244 -3.682 1.00 0.00 N ATOM 206 NH2 ARG A 17 11.977 18.962 -4.647 1.00 0.00 N ATOM 0 H ARG A 17 4.805 18.191 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 17 6.678 20.428 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.545 19.464 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.124 17.885 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.333 17.238 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.904 18.876 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.142 19.203 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.271 17.456 -5.482 1.00 0.00 H new ATOM 0 HE ARG A 17 10.672 18.190 -6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.897 19.187 -3.736 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.362 19.575 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.550 18.688 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.421 19.293 -3.791 1.00 0.00 H new ATOM 220 N ALA A 18 7.162 17.762 -10.793 1.00 0.00 N ATOM 221 CA ALA A 18 8.032 17.146 -11.786 1.00 0.00 C ATOM 222 C ALA A 18 7.902 17.841 -13.137 1.00 0.00 C ATOM 223 O ALA A 18 8.828 17.819 -13.949 1.00 0.00 O ATOM 224 CB ALA A 18 7.714 15.664 -11.920 1.00 0.00 C ATOM 0 H ALA A 18 6.240 17.333 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 18 9.062 17.256 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.372 15.217 -12.665 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.866 15.171 -10.960 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.677 15.541 -12.231 1.00 0.00 H new ATOM 230 N ILE A 19 6.748 18.457 -13.371 1.00 0.00 N ATOM 231 CA ILE A 19 6.498 19.159 -14.624 1.00 0.00 C ATOM 232 C ILE A 19 7.011 20.594 -14.562 1.00 0.00 C ATOM 233 O ILE A 19 7.778 21.029 -15.421 1.00 0.00 O ATOM 234 CB ILE A 19 4.998 19.177 -14.970 1.00 0.00 C ATOM 235 CG1 ILE A 19 4.503 17.758 -15.260 1.00 0.00 C ATOM 236 CG2 ILE A 19 4.739 20.088 -16.160 1.00 0.00 C ATOM 237 CD1 ILE A 19 3.002 17.607 -15.149 1.00 0.00 C ATOM 0 H ILE A 19 5.972 18.484 -12.710 1.00 0.00 H new ATOM 0 HA ILE A 19 7.035 18.617 -15.402 1.00 0.00 H new ATOM 0 HB ILE A 19 4.447 19.566 -14.114 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.816 17.471 -16.264 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.982 17.066 -14.567 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.674 20.090 -16.392 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.059 21.102 -15.919 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.298 19.727 -17.023 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.723 16.576 -15.368 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.684 17.862 -14.138 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.516 18.273 -15.861 1.00 0.00 H new ATOM 249 N HIS A 20 6.583 21.326 -13.537 1.00 0.00 N ATOM 250 CA HIS A 20 7.000 22.712 -13.361 1.00 0.00 C ATOM 251 C HIS A 20 8.498 22.797 -13.082 1.00 0.00 C ATOM 252 O HIS A 20 9.066 23.887 -13.021 1.00 0.00 O ATOM 253 CB HIS A 20 6.219 23.361 -12.218 1.00 0.00 C ATOM 254 CG HIS A 20 6.889 23.230 -10.885 1.00 0.00 C ATOM 255 ND1 HIS A 20 7.514 22.177 -10.308 1.00 0.00 N flip ATOM 256 CD2 HIS A 20 6.965 24.264 -9.976 1.00 0.00 C flip ATOM 257 CE1 HIS A 20 7.953 22.590 -9.074 1.00 0.00 C flip ATOM 258 NE2 HIS A 20 7.610 23.853 -8.898 1.00 0.00 N flip ATOM 0 H HIS A 20 5.948 20.982 -12.817 1.00 0.00 H new ATOM 0 HA HIS A 20 6.789 23.249 -14.286 1.00 0.00 H new ATOM 0 HB2 HIS A 20 6.076 24.418 -12.441 1.00 0.00 H new ATOM 0 HB3 HIS A 20 5.228 22.910 -12.163 1.00 0.00 H new ATOM 0 HD2 HIS A 20 6.561 25.255 -10.122 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.491 21.981 -8.363 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.809 24.416 -8.071 1.00 0.00 H new ATOM 266 N GLU A 21 9.130 21.640 -12.913 1.00 0.00 N ATOM 267 CA GLU A 21 10.561 21.586 -12.639 1.00 0.00 C ATOM 268 C GLU A 21 11.352 21.345 -13.922 1.00 0.00 C ATOM 269 O GLU A 21 12.361 22.003 -14.175 1.00 0.00 O ATOM 270 CB GLU A 21 10.867 20.483 -11.624 1.00 0.00 C ATOM 271 CG GLU A 21 12.267 19.906 -11.755 1.00 0.00 C ATOM 272 CD GLU A 21 12.832 19.441 -10.427 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.455 18.341 -9.973 1.00 0.00 O ATOM 274 OE2 GLU A 21 13.654 20.178 -9.842 1.00 0.00 O ATOM 0 H GLU A 21 8.674 20.729 -12.961 1.00 0.00 H new ATOM 0 HA GLU A 21 10.862 22.547 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.740 20.882 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.140 19.680 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.247 19.067 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.928 20.659 -12.183 1.00 0.00 H new ATOM 281 N ARG A 22 10.886 20.396 -14.728 1.00 0.00 N ATOM 282 CA ARG A 22 11.550 20.066 -15.983 1.00 0.00 C ATOM 283 C ARG A 22 10.795 20.659 -17.169 1.00 0.00 C ATOM 284 O ARG A 22 11.280 21.575 -17.831 1.00 0.00 O ATOM 285 CB ARG A 22 11.661 18.549 -16.142 1.00 0.00 C ATOM 286 CG ARG A 22 12.155 17.840 -14.892 1.00 0.00 C ATOM 287 CD ARG A 22 12.275 16.340 -15.113 1.00 0.00 C ATOM 288 NE ARG A 22 11.048 15.634 -14.752 1.00 0.00 N ATOM 289 CZ ARG A 22 10.767 14.398 -15.149 1.00 0.00 C ATOM 290 NH1 ARG A 22 11.621 13.735 -15.916 1.00 0.00 N ATOM 291 NH2 ARG A 22 9.630 13.823 -14.779 1.00 0.00 N ATOM 0 H ARG A 22 10.051 19.843 -14.534 1.00 0.00 H new ATOM 0 HA ARG A 22 12.551 20.496 -15.960 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.685 18.148 -16.415 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.338 18.327 -16.967 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.125 18.245 -14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.469 18.034 -14.067 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.511 16.145 -16.159 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.104 15.952 -14.522 1.00 0.00 H new ATOM 0 HE ARG A 22 10.370 16.117 -14.163 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.496 14.174 -16.203 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.403 12.786 -16.220 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.970 14.330 -14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.415 12.874 -15.085 1.00 0.00 H new ATOM 305 N GLY A 23 9.605 20.128 -17.432 1.00 0.00 N ATOM 306 CA GLY A 23 8.803 20.616 -18.538 1.00 0.00 C ATOM 307 C GLY A 23 7.469 19.904 -18.646 1.00 0.00 C ATOM 308 O GLY A 23 6.422 20.545 -18.728 1.00 0.00 O ATOM 0 H GLY A 23 9.182 19.368 -16.899 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.632 21.685 -18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.356 20.487 -19.468 1.00 0.00 H new ATOM 312 N GLU A 24 7.507 18.576 -18.648 1.00 0.00 N ATOM 313 CA GLU A 24 6.292 17.777 -18.750 1.00 0.00 C ATOM 314 C GLU A 24 6.503 16.386 -18.158 1.00 0.00 C ATOM 315 O GLU A 24 7.628 15.892 -18.095 1.00 0.00 O ATOM 316 CB GLU A 24 5.852 17.660 -20.211 1.00 0.00 C ATOM 317 CG GLU A 24 6.883 16.992 -21.105 1.00 0.00 C ATOM 318 CD GLU A 24 8.025 17.919 -21.472 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.837 19.152 -21.400 1.00 0.00 O ATOM 320 OE2 GLU A 24 9.109 17.412 -21.830 1.00 0.00 O ATOM 0 H GLU A 24 8.366 18.030 -18.580 1.00 0.00 H new ATOM 0 HA GLU A 24 5.510 18.280 -18.182 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.922 17.094 -20.257 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.638 18.656 -20.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.282 16.113 -20.599 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.397 16.642 -22.016 1.00 0.00 H new ATOM 327 N ALA A 25 5.413 15.762 -17.725 1.00 0.00 N ATOM 328 CA ALA A 25 5.478 14.428 -17.140 1.00 0.00 C ATOM 329 C ALA A 25 4.802 13.400 -18.041 1.00 0.00 C ATOM 330 O ALA A 25 3.641 13.047 -17.835 1.00 0.00 O ATOM 331 CB ALA A 25 4.838 14.426 -15.760 1.00 0.00 C ATOM 0 H ALA A 25 4.474 16.158 -17.768 1.00 0.00 H new ATOM 0 HA ALA A 25 6.528 14.151 -17.042 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.893 13.424 -15.335 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.367 15.125 -15.112 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.794 14.728 -15.843 1.00 0.00 H new ATOM 337 N VAL A 26 5.536 12.923 -19.041 1.00 0.00 N ATOM 338 CA VAL A 26 5.008 11.934 -19.973 1.00 0.00 C ATOM 339 C VAL A 26 4.508 10.696 -19.237 1.00 0.00 C ATOM 340 O VAL A 26 4.689 10.565 -18.026 1.00 0.00 O ATOM 341 CB VAL A 26 6.070 11.510 -21.004 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.627 12.727 -21.728 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.185 10.726 -20.328 1.00 0.00 C ATOM 0 H VAL A 26 6.498 13.206 -19.227 1.00 0.00 H new ATOM 0 HA VAL A 26 4.174 12.405 -20.494 1.00 0.00 H new ATOM 0 HB VAL A 26 5.597 10.862 -21.742 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.376 12.408 -22.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.819 13.244 -22.245 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.086 13.402 -21.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.927 10.434 -21.071 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.658 11.348 -19.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.770 9.833 -19.860 1.00 0.00 H new ATOM 353 N CYS A 27 3.878 9.789 -19.976 1.00 0.00 N ATOM 354 CA CYS A 27 3.352 8.560 -19.394 1.00 0.00 C ATOM 355 C CYS A 27 4.484 7.645 -18.937 1.00 0.00 C ATOM 356 O CYS A 27 5.326 7.217 -19.727 1.00 0.00 O ATOM 357 CB CYS A 27 2.468 7.830 -20.407 1.00 0.00 C ATOM 358 SG CYS A 27 1.506 6.454 -19.700 1.00 0.00 S ATOM 0 H CYS A 27 3.719 9.882 -20.979 1.00 0.00 H new ATOM 0 HA CYS A 27 2.752 8.827 -18.524 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.780 8.547 -20.856 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.096 7.445 -21.210 1.00 0.00 H new ATOM 0 HG CYS A 27 0.287 6.846 -19.477 1.00 0.00 H new ATOM 363 N PRO A 28 4.507 7.338 -17.632 1.00 0.00 N ATOM 364 CA PRO A 28 5.530 6.471 -17.040 1.00 0.00 C ATOM 365 C PRO A 28 5.383 5.018 -17.480 1.00 0.00 C ATOM 366 O PRO A 28 6.114 4.141 -17.018 1.00 0.00 O ATOM 367 CB PRO A 28 5.279 6.602 -15.536 1.00 0.00 C ATOM 368 CG PRO A 28 3.841 6.976 -15.422 1.00 0.00 C ATOM 369 CD PRO A 28 3.535 7.813 -16.633 1.00 0.00 C ATOM 0 HA PRO A 28 6.536 6.760 -17.345 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.487 5.666 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.922 7.362 -15.092 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.208 6.089 -15.390 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.654 7.534 -14.504 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.509 7.670 -16.971 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.657 8.876 -16.428 1.00 0.00 H new ATOM 377 N THR A 29 4.434 4.769 -18.376 1.00 0.00 N ATOM 378 CA THR A 29 4.191 3.422 -18.878 1.00 0.00 C ATOM 379 C THR A 29 4.714 3.263 -20.301 1.00 0.00 C ATOM 380 O THR A 29 5.577 2.426 -20.566 1.00 0.00 O ATOM 381 CB THR A 29 2.690 3.075 -18.853 1.00 0.00 C ATOM 382 OG1 THR A 29 2.204 3.100 -17.506 1.00 0.00 O ATOM 383 CG2 THR A 29 2.441 1.704 -19.462 1.00 0.00 C ATOM 0 H THR A 29 3.821 5.483 -18.769 1.00 0.00 H new ATOM 0 HA THR A 29 4.725 2.738 -18.219 1.00 0.00 H new ATOM 0 HB THR A 29 2.158 3.820 -19.445 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.249 2.880 -17.499 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.374 1.481 -19.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.785 1.697 -20.496 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.985 0.949 -18.894 1.00 0.00 H new ATOM 391 N CYS A 30 4.186 4.072 -21.214 1.00 0.00 N ATOM 392 CA CYS A 30 4.600 4.021 -22.611 1.00 0.00 C ATOM 393 C CYS A 30 5.305 5.312 -23.017 1.00 0.00 C ATOM 394 O CYS A 30 5.951 5.377 -24.061 1.00 0.00 O ATOM 395 CB CYS A 30 3.388 3.783 -23.515 1.00 0.00 C ATOM 396 SG CYS A 30 1.877 4.644 -22.974 1.00 0.00 S ATOM 0 H CYS A 30 3.471 4.770 -21.011 1.00 0.00 H new ATOM 0 HA CYS A 30 5.300 3.194 -22.727 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.634 4.105 -24.527 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.187 2.713 -23.561 1.00 0.00 H new ATOM 0 HG CYS A 30 1.264 3.925 -22.081 1.00 0.00 H new ATOM 401 N ASN A 31 5.175 6.338 -22.182 1.00 0.00 N ATOM 402 CA ASN A 31 5.799 7.628 -22.453 1.00 0.00 C ATOM 403 C ASN A 31 5.246 8.241 -23.737 1.00 0.00 C ATOM 404 O ASN A 31 6.000 8.602 -24.640 1.00 0.00 O ATOM 405 CB ASN A 31 7.317 7.471 -22.563 1.00 0.00 C ATOM 406 CG ASN A 31 7.940 6.967 -21.276 1.00 0.00 C ATOM 407 OD1 ASN A 31 7.531 5.939 -20.736 1.00 0.00 O ATOM 408 ND2 ASN A 31 8.936 7.691 -20.778 1.00 0.00 N ATOM 0 H ASN A 31 4.643 6.301 -21.312 1.00 0.00 H new ATOM 0 HA ASN A 31 5.569 8.296 -21.623 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.550 6.779 -23.372 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.761 8.431 -22.827 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.395 7.402 -19.914 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.242 8.536 -21.259 1.00 0.00 H new ATOM 415 N VAL A 32 3.923 8.356 -23.809 1.00 0.00 N ATOM 416 CA VAL A 32 3.269 8.927 -24.980 1.00 0.00 C ATOM 417 C VAL A 32 1.936 9.567 -24.607 1.00 0.00 C ATOM 418 O VAL A 32 0.968 8.874 -24.295 1.00 0.00 O ATOM 419 CB VAL A 32 3.028 7.860 -26.064 1.00 0.00 C ATOM 420 CG1 VAL A 32 4.338 7.470 -26.731 1.00 0.00 C ATOM 421 CG2 VAL A 32 2.341 6.640 -25.467 1.00 0.00 C ATOM 0 H VAL A 32 3.284 8.061 -23.070 1.00 0.00 H new ATOM 0 HA VAL A 32 3.938 9.691 -25.375 1.00 0.00 H new ATOM 0 HB VAL A 32 2.372 8.283 -26.825 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.147 6.715 -27.494 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.786 8.349 -27.194 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.021 7.066 -25.984 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.178 5.896 -26.247 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.970 6.214 -24.685 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.382 6.935 -25.041 1.00 0.00 H new ATOM 431 N VAL A 33 1.894 10.895 -24.642 1.00 0.00 N ATOM 432 CA VAL A 33 0.679 11.630 -24.310 1.00 0.00 C ATOM 433 C VAL A 33 0.790 13.092 -24.728 1.00 0.00 C ATOM 434 O VAL A 33 1.797 13.513 -25.299 1.00 0.00 O ATOM 435 CB VAL A 33 0.376 11.560 -22.801 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.508 10.362 -22.489 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.668 11.503 -22.001 1.00 0.00 C ATOM 0 H VAL A 33 2.687 11.484 -24.897 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.136 11.159 -24.859 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.163 12.463 -22.513 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.711 10.329 -21.419 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.448 10.451 -23.034 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.001 9.446 -22.790 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.435 11.454 -20.937 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.236 10.618 -22.289 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.260 12.396 -22.202 1.00 0.00 H new ATOM 447 N THR A 34 -0.253 13.865 -24.439 1.00 0.00 N ATOM 448 CA THR A 34 -0.274 15.281 -24.785 1.00 0.00 C ATOM 449 C THR A 34 1.053 15.950 -24.444 1.00 0.00 C ATOM 450 O THR A 34 1.781 15.492 -23.563 1.00 0.00 O ATOM 451 CB THR A 34 -1.411 16.020 -24.056 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.603 15.226 -24.075 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.684 17.369 -24.706 1.00 0.00 C ATOM 0 H THR A 34 -1.094 13.534 -23.966 1.00 0.00 H new ATOM 0 HA THR A 34 -0.442 15.341 -25.860 1.00 0.00 H new ATOM 0 HB THR A 34 -1.103 16.187 -23.024 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.380 15.799 -23.908 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.491 17.873 -24.174 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.784 17.982 -24.664 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.973 17.220 -25.746 1.00 0.00 H new ATOM 461 N ARG A 35 1.361 17.036 -25.145 1.00 0.00 N ATOM 462 CA ARG A 35 2.600 17.768 -24.916 1.00 0.00 C ATOM 463 C ARG A 35 2.666 18.290 -23.484 1.00 0.00 C ATOM 464 O ARG A 35 3.734 18.322 -22.871 1.00 0.00 O ATOM 465 CB ARG A 35 2.720 18.932 -25.901 1.00 0.00 C ATOM 466 CG ARG A 35 3.284 18.529 -27.254 1.00 0.00 C ATOM 467 CD ARG A 35 4.803 18.599 -27.268 1.00 0.00 C ATOM 468 NE ARG A 35 5.410 17.441 -26.618 1.00 0.00 N ATOM 469 CZ ARG A 35 6.614 17.461 -26.057 1.00 0.00 C ATOM 470 NH1 ARG A 35 7.335 18.573 -26.066 1.00 0.00 N ATOM 471 NH2 ARG A 35 7.098 16.366 -25.485 1.00 0.00 N ATOM 0 H ARG A 35 0.769 17.428 -25.877 1.00 0.00 H new ATOM 0 HA ARG A 35 3.432 17.082 -25.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.736 19.378 -26.045 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.358 19.701 -25.465 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.963 17.516 -27.496 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.881 19.184 -28.027 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.154 18.662 -28.298 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.129 19.509 -26.765 1.00 0.00 H new ATOM 0 HE ARG A 35 4.881 16.569 -26.593 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.966 19.417 -26.504 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.259 18.585 -25.634 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.546 15.509 -25.476 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.022 16.382 -25.054 1.00 0.00 H new ATOM 485 N LYS A 36 1.518 18.701 -22.956 1.00 0.00 N ATOM 486 CA LYS A 36 1.444 19.222 -21.597 1.00 0.00 C ATOM 487 C LYS A 36 1.389 18.086 -20.581 1.00 0.00 C ATOM 488 O LYS A 36 1.869 18.221 -19.455 1.00 0.00 O ATOM 489 CB LYS A 36 0.215 20.121 -21.439 1.00 0.00 C ATOM 490 CG LYS A 36 0.460 21.563 -21.847 1.00 0.00 C ATOM 491 CD LYS A 36 1.305 22.297 -20.818 1.00 0.00 C ATOM 492 CE LYS A 36 0.473 22.729 -19.620 1.00 0.00 C ATOM 493 NZ LYS A 36 -0.474 23.824 -19.969 1.00 0.00 N ATOM 0 H LYS A 36 0.626 18.683 -23.450 1.00 0.00 H new ATOM 0 HA LYS A 36 2.343 19.810 -21.411 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.600 19.716 -22.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.111 20.097 -20.399 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.960 21.588 -22.815 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.494 22.075 -21.968 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.117 21.651 -20.485 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.763 23.172 -21.279 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.085 21.874 -19.238 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.134 23.062 -18.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.796 24.295 -19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.005 24.516 -20.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.294 23.427 -20.471 1.00 0.00 H new ATOM 507 N THR A 37 0.801 16.964 -20.985 1.00 0.00 N ATOM 508 CA THR A 37 0.684 15.804 -20.111 1.00 0.00 C ATOM 509 C THR A 37 0.041 16.181 -18.781 1.00 0.00 C ATOM 510 O THR A 37 0.486 15.744 -17.719 1.00 0.00 O ATOM 511 CB THR A 37 2.058 15.163 -19.841 1.00 0.00 C ATOM 512 OG1 THR A 37 2.788 15.950 -18.893 1.00 0.00 O ATOM 513 CG2 THR A 37 2.859 15.037 -21.128 1.00 0.00 C ATOM 0 H THR A 37 0.398 16.835 -21.913 1.00 0.00 H new ATOM 0 HA THR A 37 0.050 15.082 -20.626 1.00 0.00 H new ATOM 0 HB THR A 37 1.895 14.165 -19.435 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.385 16.841 -18.828 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.825 14.582 -20.912 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.314 14.413 -21.836 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.012 16.026 -21.559 1.00 0.00 H new ATOM 521 N LEU A 38 -1.008 16.994 -18.845 1.00 0.00 N ATOM 522 CA LEU A 38 -1.713 17.430 -17.645 1.00 0.00 C ATOM 523 C LEU A 38 -3.177 17.003 -17.688 1.00 0.00 C ATOM 524 O LEU A 38 -3.707 16.467 -16.715 1.00 0.00 O ATOM 525 CB LEU A 38 -1.616 18.949 -17.496 1.00 0.00 C ATOM 526 CG LEU A 38 -1.618 19.485 -16.063 1.00 0.00 C ATOM 527 CD1 LEU A 38 -2.690 18.792 -15.236 1.00 0.00 C ATOM 528 CD2 LEU A 38 -0.249 19.304 -15.424 1.00 0.00 C ATOM 0 H LEU A 38 -1.389 17.365 -19.716 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.241 16.956 -16.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.702 19.284 -17.987 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.450 19.401 -18.033 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.844 20.551 -16.094 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.677 19.186 -14.220 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.668 18.973 -15.683 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.495 17.720 -15.212 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.269 19.691 -14.405 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.006 18.245 -15.405 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.498 19.847 -16.004 1.00 0.00 H new ATOM 540 N VAL A 39 -3.824 17.244 -18.824 1.00 0.00 N ATOM 541 CA VAL A 39 -5.226 16.882 -18.996 1.00 0.00 C ATOM 542 C VAL A 39 -5.365 15.562 -19.745 1.00 0.00 C ATOM 543 O VAL A 39 -6.226 14.743 -19.427 1.00 0.00 O ATOM 544 CB VAL A 39 -5.999 17.976 -19.757 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.035 19.265 -18.951 1.00 0.00 C ATOM 546 CG2 VAL A 39 -5.378 18.211 -21.126 1.00 0.00 C ATOM 0 H VAL A 39 -3.400 17.688 -19.638 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.650 16.776 -17.998 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.025 17.638 -19.901 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.585 20.025 -19.505 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.529 19.083 -17.996 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.017 19.611 -18.773 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.936 18.987 -21.650 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.342 18.528 -21.006 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.411 17.287 -21.704 1.00 0.00 H new ATOM 556 N GLY A 40 -4.509 15.361 -20.743 1.00 0.00 N ATOM 557 CA GLY A 40 -4.553 14.138 -21.523 1.00 0.00 C ATOM 558 C GLY A 40 -3.872 12.979 -20.821 1.00 0.00 C ATOM 559 O GLY A 40 -4.215 11.818 -21.048 1.00 0.00 O ATOM 0 H GLY A 40 -3.786 16.023 -21.025 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.592 13.877 -21.725 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.073 14.308 -22.487 1.00 0.00 H new ATOM 563 N LEU A 41 -2.903 13.293 -19.969 1.00 0.00 N ATOM 564 CA LEU A 41 -2.170 12.268 -19.233 1.00 0.00 C ATOM 565 C LEU A 41 -3.114 11.440 -18.367 1.00 0.00 C ATOM 566 O LEU A 41 -3.085 10.209 -18.400 1.00 0.00 O ATOM 567 CB LEU A 41 -1.092 12.913 -18.359 1.00 0.00 C ATOM 568 CG LEU A 41 -0.481 12.019 -17.279 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.479 11.015 -17.897 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.229 12.862 -16.229 1.00 0.00 C ATOM 0 H LEU A 41 -2.606 14.248 -19.770 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.695 11.606 -19.956 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.290 13.266 -19.007 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.521 13.791 -17.876 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.286 11.468 -16.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.904 10.388 -17.113 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.058 10.390 -18.611 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.280 11.546 -18.411 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.658 12.210 -15.468 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.023 13.439 -16.702 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.485 13.541 -15.764 1.00 0.00 H new ATOM 582 N LYS A 42 -3.952 12.122 -17.594 1.00 0.00 N ATOM 583 CA LYS A 42 -4.908 11.451 -16.722 1.00 0.00 C ATOM 584 C LYS A 42 -5.918 10.649 -17.536 1.00 0.00 C ATOM 585 O LYS A 42 -6.074 9.444 -17.340 1.00 0.00 O ATOM 586 CB LYS A 42 -5.638 12.473 -15.848 1.00 0.00 C ATOM 587 CG LYS A 42 -4.723 13.222 -14.894 1.00 0.00 C ATOM 588 CD LYS A 42 -5.348 14.527 -14.431 1.00 0.00 C ATOM 589 CE LYS A 42 -6.509 14.281 -13.479 1.00 0.00 C ATOM 590 NZ LYS A 42 -6.061 13.644 -12.210 1.00 0.00 N ATOM 0 H LYS A 42 -3.988 13.141 -17.554 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.356 10.763 -16.082 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.145 13.192 -16.491 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.409 11.961 -15.272 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.505 12.595 -14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.772 13.427 -15.386 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.593 15.138 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.698 15.091 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.002 15.227 -13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.248 13.643 -13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.794 13.767 -11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.898 12.629 -12.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.177 14.090 -11.891 1.00 0.00 H new ATOM 604 N LYS A 43 -6.602 11.326 -18.453 1.00 0.00 N ATOM 605 CA LYS A 43 -7.596 10.677 -19.300 1.00 0.00 C ATOM 606 C LYS A 43 -6.970 9.539 -20.100 1.00 0.00 C ATOM 607 O LYS A 43 -7.666 8.635 -20.562 1.00 0.00 O ATOM 608 CB LYS A 43 -8.228 11.695 -20.251 1.00 0.00 C ATOM 609 CG LYS A 43 -8.982 12.805 -19.540 1.00 0.00 C ATOM 610 CD LYS A 43 -9.535 13.823 -20.524 1.00 0.00 C ATOM 611 CE LYS A 43 -8.443 14.745 -21.045 1.00 0.00 C ATOM 612 NZ LYS A 43 -8.812 15.361 -22.349 1.00 0.00 N ATOM 0 H LYS A 43 -6.486 12.324 -18.628 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.370 10.261 -18.655 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.446 12.136 -20.869 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.911 11.176 -20.923 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.800 12.377 -18.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.317 13.303 -18.834 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.004 13.305 -21.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.312 14.415 -20.039 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.252 15.530 -20.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.516 14.182 -21.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.042 15.982 -22.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.970 14.613 -23.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.682 15.919 -22.235 1.00 0.00 H new ATOM 626 N HIS A 44 -5.651 9.589 -20.258 1.00 0.00 N ATOM 627 CA HIS A 44 -4.930 8.560 -21.000 1.00 0.00 C ATOM 628 C HIS A 44 -4.652 7.347 -20.117 1.00 0.00 C ATOM 629 O HIS A 44 -5.112 6.242 -20.402 1.00 0.00 O ATOM 630 CB HIS A 44 -3.616 9.121 -21.545 1.00 0.00 C ATOM 631 CG HIS A 44 -2.641 8.063 -21.962 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.551 7.590 -23.254 1.00 0.00 N ATOM 633 CD2 HIS A 44 -1.709 7.389 -21.249 1.00 0.00 C ATOM 634 CE1 HIS A 44 -1.607 6.668 -23.317 1.00 0.00 C ATOM 635 NE2 HIS A 44 -1.080 6.527 -22.114 1.00 0.00 N ATOM 0 H HIS A 44 -5.060 10.331 -19.882 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.555 8.243 -21.835 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.831 9.763 -22.399 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.155 9.749 -20.783 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.499 7.507 -20.196 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.316 6.122 -24.202 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.328 5.883 -21.868 1.00 0.00 H new ATOM 643 N MET A 45 -3.896 7.562 -19.045 1.00 0.00 N ATOM 644 CA MET A 45 -3.558 6.486 -18.121 1.00 0.00 C ATOM 645 C MET A 45 -4.780 5.626 -17.817 1.00 0.00 C ATOM 646 O MET A 45 -4.651 4.470 -17.414 1.00 0.00 O ATOM 647 CB MET A 45 -2.988 7.061 -16.823 1.00 0.00 C ATOM 648 CG MET A 45 -4.040 7.693 -15.925 1.00 0.00 C ATOM 649 SD MET A 45 -3.545 7.725 -14.192 1.00 0.00 S ATOM 650 CE MET A 45 -1.988 8.604 -14.300 1.00 0.00 C ATOM 0 H MET A 45 -3.506 8.471 -18.795 1.00 0.00 H new ATOM 0 HA MET A 45 -2.803 5.858 -18.594 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.483 6.266 -16.274 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.233 7.809 -17.067 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.236 8.711 -16.262 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.974 7.140 -16.022 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.539 8.673 -13.309 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.313 8.068 -14.967 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.163 9.607 -14.689 1.00 0.00 H new ATOM 660 N GLU A 46 -5.964 6.197 -18.013 1.00 0.00 N ATOM 661 CA GLU A 46 -7.209 5.481 -17.758 1.00 0.00 C ATOM 662 C GLU A 46 -7.244 4.162 -18.524 1.00 0.00 C ATOM 663 O GLU A 46 -7.429 3.096 -17.938 1.00 0.00 O ATOM 664 CB GLU A 46 -8.409 6.344 -18.152 1.00 0.00 C ATOM 665 CG GLU A 46 -8.402 7.724 -17.516 1.00 0.00 C ATOM 666 CD GLU A 46 -9.798 8.274 -17.297 1.00 0.00 C ATOM 667 OE1 GLU A 46 -10.742 7.464 -17.183 1.00 0.00 O ATOM 668 OE2 GLU A 46 -9.947 9.512 -17.241 1.00 0.00 O ATOM 0 H GLU A 46 -6.088 7.153 -18.347 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.262 5.264 -16.691 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.427 6.453 -19.236 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.326 5.827 -17.869 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.880 7.676 -16.560 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.841 8.410 -18.151 1.00 0.00 H new ATOM 675 N VAL A 47 -7.065 4.243 -19.839 1.00 0.00 N ATOM 676 CA VAL A 47 -7.075 3.056 -20.686 1.00 0.00 C ATOM 677 C VAL A 47 -5.688 2.429 -20.771 1.00 0.00 C ATOM 678 O VAL A 47 -5.552 1.211 -20.889 1.00 0.00 O ATOM 679 CB VAL A 47 -7.565 3.387 -22.109 1.00 0.00 C ATOM 680 CG1 VAL A 47 -8.971 3.965 -22.069 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.604 4.347 -22.793 1.00 0.00 C ATOM 0 H VAL A 47 -6.911 5.118 -20.340 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.763 2.346 -20.228 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.594 2.464 -22.688 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.300 4.192 -23.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.650 3.239 -21.621 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.972 4.878 -21.474 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.965 4.570 -23.797 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.540 5.270 -22.217 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.616 3.890 -22.856 1.00 0.00 H new ATOM 691 N CYS A 48 -4.661 3.269 -20.709 1.00 0.00 N ATOM 692 CA CYS A 48 -3.283 2.798 -20.778 1.00 0.00 C ATOM 693 C CYS A 48 -3.119 1.481 -20.026 1.00 0.00 C ATOM 694 O CYS A 48 -2.993 0.419 -20.635 1.00 0.00 O ATOM 695 CB CYS A 48 -2.333 3.849 -20.201 1.00 0.00 C ATOM 696 SG CYS A 48 -0.568 3.435 -20.379 1.00 0.00 S ATOM 0 H CYS A 48 -4.757 4.280 -20.611 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.035 2.630 -21.826 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.523 4.803 -20.693 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.558 3.985 -19.143 1.00 0.00 H new ATOM 0 HG CYS A 48 0.151 4.492 -20.144 1.00 0.00 H new ATOM 701 N GLN A 49 -3.123 1.559 -18.699 1.00 0.00 N ATOM 702 CA GLN A 49 -2.974 0.373 -17.864 1.00 0.00 C ATOM 703 C GLN A 49 -3.856 -0.763 -18.371 1.00 0.00 C ATOM 704 O GLN A 49 -3.436 -1.920 -18.408 1.00 0.00 O ATOM 705 CB GLN A 49 -3.327 0.699 -16.412 1.00 0.00 C ATOM 706 CG GLN A 49 -2.647 -0.212 -15.402 1.00 0.00 C ATOM 707 CD GLN A 49 -3.301 -0.158 -14.035 1.00 0.00 C ATOM 708 OE1 GLN A 49 -4.526 -0.204 -13.918 1.00 0.00 O ATOM 709 NE2 GLN A 49 -2.485 -0.060 -12.992 1.00 0.00 N ATOM 0 H GLN A 49 -3.228 2.430 -18.179 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.934 0.052 -17.914 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.049 1.732 -16.202 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.407 0.627 -16.284 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.669 -1.237 -15.771 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.599 0.072 -15.311 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.476 -0.025 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.867 -0.020 -12.047 1.00 0.00 H new ATOM 718 N LYS A 50 -5.081 -0.427 -18.760 1.00 0.00 N ATOM 719 CA LYS A 50 -6.024 -1.418 -19.266 1.00 0.00 C ATOM 720 C LYS A 50 -5.521 -2.031 -20.569 1.00 0.00 C ATOM 721 O LYS A 50 -5.791 -3.196 -20.864 1.00 0.00 O ATOM 722 CB LYS A 50 -7.397 -0.780 -19.487 1.00 0.00 C ATOM 723 CG LYS A 50 -8.361 -1.664 -20.258 1.00 0.00 C ATOM 724 CD LYS A 50 -9.339 -0.839 -21.079 1.00 0.00 C ATOM 725 CE LYS A 50 -9.781 -1.582 -22.330 1.00 0.00 C ATOM 726 NZ LYS A 50 -11.148 -1.176 -22.762 1.00 0.00 N ATOM 0 H LYS A 50 -5.445 0.526 -18.735 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.114 -2.210 -18.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.835 -0.537 -18.519 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.269 0.160 -20.025 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.800 -2.327 -20.917 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.912 -2.297 -19.562 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.211 -0.596 -20.472 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.873 0.105 -21.361 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.073 -1.389 -23.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.764 -2.655 -22.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.413 -1.705 -23.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.828 -1.383 -22.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.159 -0.157 -22.968 1.00 0.00 H new ATOM 740 N LEU A 51 -4.788 -1.240 -21.345 1.00 0.00 N ATOM 741 CA LEU A 51 -4.245 -1.706 -22.617 1.00 0.00 C ATOM 742 C LEU A 51 -2.973 -2.519 -22.401 1.00 0.00 C ATOM 743 O LEU A 51 -2.908 -3.695 -22.759 1.00 0.00 O ATOM 744 CB LEU A 51 -3.956 -0.518 -23.536 1.00 0.00 C ATOM 745 CG LEU A 51 -5.126 -0.032 -24.392 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.801 1.313 -25.024 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.466 -1.058 -25.463 1.00 0.00 C ATOM 0 H LEU A 51 -4.556 -0.273 -21.116 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.989 -2.349 -23.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.610 0.314 -22.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.134 -0.789 -24.199 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.996 0.092 -23.748 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.645 1.644 -25.630 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.607 2.046 -24.241 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.918 1.215 -25.655 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.301 -0.695 -26.062 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.599 -1.215 -26.105 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.742 -2.000 -24.990 1.00 0.00 H new ATOM 759 N GLN A 52 -1.964 -1.884 -21.812 1.00 0.00 N ATOM 760 CA GLN A 52 -0.694 -2.549 -21.548 1.00 0.00 C ATOM 761 C GLN A 52 -0.919 -3.934 -20.950 1.00 0.00 C ATOM 762 O GLN A 52 -0.072 -4.819 -21.073 1.00 0.00 O ATOM 763 CB GLN A 52 0.161 -1.705 -20.601 1.00 0.00 C ATOM 764 CG GLN A 52 -0.602 -1.187 -19.391 1.00 0.00 C ATOM 765 CD GLN A 52 0.309 -0.857 -18.225 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.225 0.225 -17.644 1.00 0.00 O ATOM 767 NE2 GLN A 52 1.186 -1.791 -17.876 1.00 0.00 N ATOM 0 H GLN A 52 -2.002 -0.911 -21.509 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.169 -2.663 -22.496 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.007 -2.302 -20.259 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.571 -0.858 -21.152 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.162 -0.295 -19.674 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.330 -1.935 -19.078 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.221 -2.674 -18.386 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.825 -1.626 -17.098 1.00 0.00 H new ATOM 776 N ASP A 53 -2.065 -4.115 -20.303 1.00 0.00 N ATOM 777 CA ASP A 53 -2.402 -5.393 -19.686 1.00 0.00 C ATOM 778 C ASP A 53 -2.843 -6.404 -20.739 1.00 0.00 C ATOM 779 O ASP A 53 -2.529 -7.591 -20.644 1.00 0.00 O ATOM 780 CB ASP A 53 -3.507 -5.206 -18.646 1.00 0.00 C ATOM 781 CG ASP A 53 -3.439 -6.237 -17.537 1.00 0.00 C ATOM 782 OD1 ASP A 53 -2.398 -6.301 -16.849 1.00 0.00 O ATOM 783 OD2 ASP A 53 -4.427 -6.979 -17.356 1.00 0.00 O ATOM 0 H ASP A 53 -2.777 -3.393 -20.192 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.510 -5.776 -19.191 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.431 -4.208 -18.215 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.478 -5.268 -19.137 1.00 0.00 H new ATOM 788 N ALA A 54 -3.573 -5.927 -21.742 1.00 0.00 N ATOM 789 CA ALA A 54 -4.057 -6.790 -22.813 1.00 0.00 C ATOM 790 C ALA A 54 -2.903 -7.302 -23.668 1.00 0.00 C ATOM 791 O ALA A 54 -2.744 -8.508 -23.857 1.00 0.00 O ATOM 792 CB ALA A 54 -5.066 -6.046 -23.674 1.00 0.00 C ATOM 0 H ALA A 54 -3.842 -4.948 -21.835 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.548 -7.651 -22.360 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -5.419 -6.702 -24.470 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.910 -5.735 -23.059 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.593 -5.167 -24.112 1.00 0.00 H new ATOM 798 N LEU A 55 -2.101 -6.378 -24.186 1.00 0.00 N ATOM 799 CA LEU A 55 -0.961 -6.736 -25.023 1.00 0.00 C ATOM 800 C LEU A 55 -0.001 -7.653 -24.273 1.00 0.00 C ATOM 801 O LEU A 55 0.589 -8.563 -24.856 1.00 0.00 O ATOM 802 CB LEU A 55 -0.226 -5.476 -25.483 1.00 0.00 C ATOM 803 CG LEU A 55 -0.874 -4.702 -26.632 1.00 0.00 C ATOM 804 CD1 LEU A 55 -0.809 -5.508 -27.921 1.00 0.00 C ATOM 805 CD2 LEU A 55 -2.315 -4.350 -26.293 1.00 0.00 C ATOM 0 H LEU A 55 -2.219 -5.375 -24.041 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.336 -7.270 -25.896 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.128 -4.805 -24.630 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.783 -5.758 -25.785 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.320 -3.775 -26.778 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.275 -4.942 -28.728 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.232 -5.709 -28.173 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.338 -6.451 -27.787 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.760 -3.800 -27.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.882 -5.265 -26.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.337 -3.733 -25.395 1.00 0.00 H new ATOM 817 N LYS A 56 0.149 -7.410 -22.975 1.00 0.00 N ATOM 818 CA LYS A 56 1.034 -8.215 -22.142 1.00 0.00 C ATOM 819 C LYS A 56 0.813 -9.703 -22.394 1.00 0.00 C ATOM 820 O LYS A 56 -0.303 -10.206 -22.263 1.00 0.00 O ATOM 821 CB LYS A 56 0.805 -7.898 -20.663 1.00 0.00 C ATOM 822 CG LYS A 56 1.930 -8.371 -19.758 1.00 0.00 C ATOM 823 CD LYS A 56 1.534 -8.302 -18.293 1.00 0.00 C ATOM 824 CE LYS A 56 1.857 -6.943 -17.691 1.00 0.00 C ATOM 825 NZ LYS A 56 0.980 -6.627 -16.530 1.00 0.00 N ATOM 0 H LYS A 56 -0.332 -6.661 -22.477 1.00 0.00 H new ATOM 0 HA LYS A 56 2.063 -7.968 -22.405 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.684 -6.821 -20.545 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.128 -8.361 -20.341 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.199 -9.396 -20.015 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.815 -7.758 -19.926 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.467 -8.501 -18.194 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.056 -9.081 -17.737 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.900 -6.925 -17.374 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.742 -6.172 -18.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.232 -5.693 -16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.013 -6.619 -16.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.108 -7.348 -15.792 1.00 0.00 H new ATOM 839 N CYS A 57 1.883 -10.403 -22.755 1.00 0.00 N ATOM 840 CA CYS A 57 1.807 -11.834 -23.024 1.00 0.00 C ATOM 841 C CYS A 57 1.589 -12.619 -21.734 1.00 0.00 C ATOM 842 O CYS A 57 1.475 -12.039 -20.655 1.00 0.00 O ATOM 843 CB CYS A 57 3.084 -12.313 -23.717 1.00 0.00 C ATOM 844 SG CYS A 57 2.837 -13.727 -24.838 1.00 0.00 S ATOM 0 H CYS A 57 2.814 -10.002 -22.868 1.00 0.00 H new ATOM 0 HA CYS A 57 0.957 -12.010 -23.683 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.510 -11.485 -24.283 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.815 -12.589 -22.957 1.00 0.00 H new ATOM 0 HG CYS A 57 3.914 -14.455 -24.862 1.00 0.00 H new ATOM 849 N GLN A 58 1.534 -13.942 -21.855 1.00 0.00 N ATOM 850 CA GLN A 58 1.330 -14.806 -20.699 1.00 0.00 C ATOM 851 C GLN A 58 2.533 -15.718 -20.481 1.00 0.00 C ATOM 852 O GLN A 58 3.201 -15.646 -19.449 1.00 0.00 O ATOM 853 CB GLN A 58 0.065 -15.647 -20.881 1.00 0.00 C ATOM 854 CG GLN A 58 -0.507 -16.176 -19.575 1.00 0.00 C ATOM 855 CD GLN A 58 -1.120 -15.083 -18.722 1.00 0.00 C ATOM 856 OE1 GLN A 58 -1.733 -14.147 -19.236 1.00 0.00 O ATOM 857 NE2 GLN A 58 -0.957 -15.196 -17.408 1.00 0.00 N ATOM 0 H GLN A 58 1.628 -14.438 -22.741 1.00 0.00 H new ATOM 0 HA GLN A 58 1.214 -14.172 -19.820 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.693 -15.045 -21.382 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.289 -16.488 -21.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.264 -16.929 -19.793 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.283 -16.672 -19.011 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.442 -15.988 -17.024 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.347 -14.490 -16.783 1.00 0.00 H new ATOM 866 N HIS A 59 2.804 -16.576 -21.460 1.00 0.00 N ATOM 867 CA HIS A 59 3.928 -17.502 -21.376 1.00 0.00 C ATOM 868 C HIS A 59 5.205 -16.771 -20.971 1.00 0.00 C ATOM 869 O HIS A 59 5.936 -17.220 -20.088 1.00 0.00 O ATOM 870 CB HIS A 59 4.134 -18.210 -22.715 1.00 0.00 C ATOM 871 CG HIS A 59 2.886 -18.829 -23.264 1.00 0.00 C ATOM 872 ND1 HIS A 59 2.105 -19.711 -22.547 1.00 0.00 N ATOM 873 CD2 HIS A 59 2.282 -18.687 -24.467 1.00 0.00 C ATOM 874 CE1 HIS A 59 1.077 -20.087 -23.286 1.00 0.00 C ATOM 875 NE2 HIS A 59 1.160 -19.480 -24.456 1.00 0.00 N ATOM 0 H HIS A 59 2.261 -16.649 -22.320 1.00 0.00 H new ATOM 0 HA HIS A 59 3.698 -18.245 -20.613 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.523 -17.494 -23.439 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.891 -18.985 -22.594 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.619 -18.066 -25.284 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.300 -20.774 -22.985 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.499 -19.583 -25.226 1.00 0.00 H new ATOM 883 N CYS A 60 5.468 -15.644 -21.624 1.00 0.00 N ATOM 884 CA CYS A 60 6.656 -14.851 -21.334 1.00 0.00 C ATOM 885 C CYS A 60 6.319 -13.681 -20.414 1.00 0.00 C ATOM 886 O CYS A 60 7.166 -13.210 -19.655 1.00 0.00 O ATOM 887 CB CYS A 60 7.277 -14.331 -22.632 1.00 0.00 C ATOM 888 SG CYS A 60 6.330 -12.993 -23.426 1.00 0.00 S ATOM 0 H CYS A 60 4.874 -15.259 -22.358 1.00 0.00 H new ATOM 0 HA CYS A 60 7.376 -15.493 -20.826 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.285 -13.973 -22.422 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.373 -15.160 -23.334 1.00 0.00 H new ATOM 0 HG CYS A 60 7.113 -12.313 -24.210 1.00 0.00 H new ATOM 893 N ARG A 61 5.076 -13.216 -20.489 1.00 0.00 N ATOM 894 CA ARG A 61 4.626 -12.101 -19.664 1.00 0.00 C ATOM 895 C ARG A 61 5.452 -10.849 -19.946 1.00 0.00 C ATOM 896 O ARG A 61 5.980 -10.221 -19.029 1.00 0.00 O ATOM 897 CB ARG A 61 4.721 -12.465 -18.181 1.00 0.00 C ATOM 898 CG ARG A 61 3.431 -13.029 -17.609 1.00 0.00 C ATOM 899 CD ARG A 61 3.707 -14.071 -16.537 1.00 0.00 C ATOM 900 NE ARG A 61 3.765 -13.482 -15.202 1.00 0.00 N ATOM 901 CZ ARG A 61 2.697 -13.045 -14.544 1.00 0.00 C ATOM 902 NH1 ARG A 61 1.494 -13.131 -15.095 1.00 0.00 N ATOM 903 NH2 ARG A 61 2.830 -12.521 -13.333 1.00 0.00 N ATOM 0 H ARG A 61 4.363 -13.594 -21.113 1.00 0.00 H new ATOM 0 HA ARG A 61 3.586 -11.893 -19.914 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.519 -13.195 -18.045 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.002 -11.577 -17.615 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.834 -12.220 -17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.841 -13.476 -18.409 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.928 -14.833 -16.563 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.651 -14.572 -16.753 1.00 0.00 H new ATOM 0 HE ARG A 61 4.676 -13.402 -14.750 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.387 -13.533 -16.026 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.675 -12.795 -14.588 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.754 -12.453 -12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.009 -12.186 -12.829 1.00 0.00 H new ATOM 917 N LYS A 62 5.560 -10.493 -21.222 1.00 0.00 N ATOM 918 CA LYS A 62 6.320 -9.316 -21.626 1.00 0.00 C ATOM 919 C LYS A 62 5.396 -8.234 -22.175 1.00 0.00 C ATOM 920 O LYS A 62 4.355 -8.532 -22.759 1.00 0.00 O ATOM 921 CB LYS A 62 7.363 -9.695 -22.680 1.00 0.00 C ATOM 922 CG LYS A 62 8.671 -10.191 -22.091 1.00 0.00 C ATOM 923 CD LYS A 62 9.560 -10.816 -23.153 1.00 0.00 C ATOM 924 CE LYS A 62 11.005 -10.907 -22.687 1.00 0.00 C ATOM 925 NZ LYS A 62 11.681 -9.580 -22.712 1.00 0.00 N ATOM 0 H LYS A 62 5.131 -11.003 -21.994 1.00 0.00 H new ATOM 0 HA LYS A 62 6.828 -8.922 -20.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.949 -10.469 -23.327 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.563 -8.828 -23.309 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.196 -9.361 -21.618 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.465 -10.924 -21.311 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.192 -11.813 -23.397 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.508 -10.224 -24.067 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.035 -11.311 -21.675 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.549 -11.604 -23.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.703 -9.708 -22.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.514 -9.123 -23.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.298 -8.981 -21.953 1.00 0.00 H new ATOM 939 N GLN A 63 5.785 -6.977 -21.984 1.00 0.00 N ATOM 940 CA GLN A 63 4.991 -5.851 -22.462 1.00 0.00 C ATOM 941 C GLN A 63 5.330 -5.523 -23.912 1.00 0.00 C ATOM 942 O GLN A 63 6.499 -5.503 -24.299 1.00 0.00 O ATOM 943 CB GLN A 63 5.227 -4.624 -21.580 1.00 0.00 C ATOM 944 CG GLN A 63 4.075 -3.632 -21.599 1.00 0.00 C ATOM 945 CD GLN A 63 3.726 -3.168 -22.999 1.00 0.00 C ATOM 946 OE1 GLN A 63 4.563 -2.603 -23.705 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.486 -3.405 -23.410 1.00 0.00 N ATOM 0 H GLN A 63 6.644 -6.713 -21.502 1.00 0.00 H new ATOM 0 HA GLN A 63 3.939 -6.131 -22.409 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.397 -4.951 -20.554 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.136 -4.120 -21.909 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.198 -4.091 -21.144 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.335 -2.767 -20.988 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.825 -3.876 -22.792 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.194 -3.116 -24.344 1.00 0.00 H new ATOM 956 N PHE A 64 4.300 -5.266 -24.712 1.00 0.00 N ATOM 957 CA PHE A 64 4.488 -4.940 -26.120 1.00 0.00 C ATOM 958 C PHE A 64 3.813 -3.616 -26.467 1.00 0.00 C ATOM 959 O PHE A 64 2.599 -3.468 -26.321 1.00 0.00 O ATOM 960 CB PHE A 64 3.929 -6.057 -27.004 1.00 0.00 C ATOM 961 CG PHE A 64 4.876 -7.209 -27.185 1.00 0.00 C ATOM 962 CD1 PHE A 64 5.844 -7.177 -28.176 1.00 0.00 C ATOM 963 CD2 PHE A 64 4.798 -8.323 -26.365 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.717 -8.235 -28.345 1.00 0.00 C ATOM 965 CE2 PHE A 64 5.668 -9.384 -26.530 1.00 0.00 C ATOM 966 CZ PHE A 64 6.629 -9.340 -27.521 1.00 0.00 C ATOM 0 H PHE A 64 3.326 -5.277 -24.408 1.00 0.00 H new ATOM 0 HA PHE A 64 5.558 -4.842 -26.304 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.001 -6.425 -26.567 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.679 -5.645 -27.982 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.917 -6.316 -28.824 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.049 -8.363 -25.588 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.467 -8.198 -29.121 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.596 -10.247 -25.885 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.310 -10.168 -27.651 1.00 0.00 H new ATOM 976 N LYS A 65 4.608 -2.656 -26.927 1.00 0.00 N ATOM 977 CA LYS A 65 4.089 -1.344 -27.295 1.00 0.00 C ATOM 978 C LYS A 65 3.577 -1.345 -28.732 1.00 0.00 C ATOM 979 O LYS A 65 3.639 -0.330 -29.424 1.00 0.00 O ATOM 980 CB LYS A 65 5.176 -0.279 -27.131 1.00 0.00 C ATOM 981 CG LYS A 65 6.313 -0.411 -28.130 1.00 0.00 C ATOM 982 CD LYS A 65 7.427 -1.294 -27.593 1.00 0.00 C ATOM 983 CE LYS A 65 8.773 -0.922 -28.195 1.00 0.00 C ATOM 984 NZ LYS A 65 9.417 0.202 -27.461 1.00 0.00 N ATOM 0 H LYS A 65 5.615 -2.762 -27.054 1.00 0.00 H new ATOM 0 HA LYS A 65 3.256 -1.111 -26.631 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.725 0.708 -27.235 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.582 -0.339 -26.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.933 -0.829 -29.062 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.711 0.577 -28.363 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.475 -1.202 -26.508 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.204 -2.338 -27.815 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.431 -1.791 -28.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.639 -0.644 -29.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.332 0.426 -27.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.801 1.039 -27.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.568 -0.072 -26.469 1.00 0.00 H new ATOM 998 N SER A 66 3.068 -2.492 -29.173 1.00 0.00 N ATOM 999 CA SER A 66 2.547 -2.626 -30.528 1.00 0.00 C ATOM 1000 C SER A 66 1.771 -3.930 -30.685 1.00 0.00 C ATOM 1001 O SER A 66 2.148 -4.961 -30.129 1.00 0.00 O ATOM 1002 CB SER A 66 3.689 -2.573 -31.544 1.00 0.00 C ATOM 1003 OG SER A 66 3.196 -2.647 -32.871 1.00 0.00 O ATOM 0 H SER A 66 3.006 -3.341 -28.611 1.00 0.00 H new ATOM 0 HA SER A 66 1.867 -1.794 -30.713 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.253 -1.650 -31.413 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.379 -3.397 -31.363 1.00 0.00 H new ATOM 0 HG SER A 66 3.946 -2.609 -33.501 1.00 0.00 H new ATOM 1009 N LYS A 67 0.684 -3.876 -31.448 1.00 0.00 N ATOM 1010 CA LYS A 67 -0.146 -5.051 -31.681 1.00 0.00 C ATOM 1011 C LYS A 67 0.534 -6.014 -32.649 1.00 0.00 C ATOM 1012 O LYS A 67 0.559 -7.223 -32.422 1.00 0.00 O ATOM 1013 CB LYS A 67 -1.511 -4.635 -32.234 1.00 0.00 C ATOM 1014 CG LYS A 67 -2.495 -5.786 -32.354 1.00 0.00 C ATOM 1015 CD LYS A 67 -3.303 -5.965 -31.079 1.00 0.00 C ATOM 1016 CE LYS A 67 -4.544 -5.085 -31.077 1.00 0.00 C ATOM 1017 NZ LYS A 67 -5.521 -5.506 -30.036 1.00 0.00 N ATOM 0 H LYS A 67 0.358 -3.030 -31.915 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.287 -5.560 -30.728 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.938 -3.869 -31.587 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.373 -4.182 -33.216 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.170 -5.603 -33.191 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.954 -6.706 -32.575 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.596 -7.010 -30.977 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.682 -5.722 -30.217 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.254 -4.049 -30.905 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.019 -5.124 -32.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.352 -4.882 -30.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.818 -6.487 -30.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.077 -5.444 -29.098 1.00 0.00 H new ATOM 1031 N ALA A 68 1.084 -5.470 -33.729 1.00 0.00 N ATOM 1032 CA ALA A 68 1.767 -6.280 -34.730 1.00 0.00 C ATOM 1033 C ALA A 68 2.900 -7.087 -34.103 1.00 0.00 C ATOM 1034 O ALA A 68 3.125 -8.242 -34.462 1.00 0.00 O ATOM 1035 CB ALA A 68 2.301 -5.399 -35.849 1.00 0.00 C ATOM 0 H ALA A 68 1.070 -4.471 -33.933 1.00 0.00 H new ATOM 0 HA ALA A 68 1.044 -6.981 -35.148 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.808 -6.018 -36.589 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.473 -4.872 -36.323 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.004 -4.675 -35.438 1.00 0.00 H new ATOM 1041 N GLY A 69 3.611 -6.469 -33.165 1.00 0.00 N ATOM 1042 CA GLY A 69 4.712 -7.145 -32.504 1.00 0.00 C ATOM 1043 C GLY A 69 4.270 -8.398 -31.774 1.00 0.00 C ATOM 1044 O GLY A 69 4.869 -9.462 -31.933 1.00 0.00 O ATOM 0 H GLY A 69 3.444 -5.513 -32.851 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.469 -7.407 -33.243 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.181 -6.462 -31.796 1.00 0.00 H new ATOM 1048 N LEU A 70 3.220 -8.272 -30.970 1.00 0.00 N ATOM 1049 CA LEU A 70 2.698 -9.403 -30.211 1.00 0.00 C ATOM 1050 C LEU A 70 2.227 -10.514 -31.144 1.00 0.00 C ATOM 1051 O LEU A 70 2.504 -11.690 -30.914 1.00 0.00 O ATOM 1052 CB LEU A 70 1.545 -8.952 -29.314 1.00 0.00 C ATOM 1053 CG LEU A 70 0.992 -10.003 -28.350 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.004 -10.309 -27.257 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -0.324 -9.535 -27.747 1.00 0.00 C ATOM 0 H LEU A 70 2.714 -7.398 -30.827 1.00 0.00 H new ATOM 0 HA LEU A 70 3.503 -9.793 -29.588 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.879 -8.094 -28.731 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.730 -8.607 -29.950 1.00 0.00 H new ATOM 0 HG LEU A 70 0.805 -10.919 -28.910 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.593 -11.059 -26.581 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.921 -10.689 -27.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.224 -9.399 -26.699 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.702 -10.296 -27.064 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.164 -8.605 -27.202 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.050 -9.369 -28.543 1.00 0.00 H new ATOM 1067 N ASN A 71 1.513 -10.132 -32.198 1.00 0.00 N ATOM 1068 CA ASN A 71 1.005 -11.096 -33.168 1.00 0.00 C ATOM 1069 C ASN A 71 2.101 -12.066 -33.597 1.00 0.00 C ATOM 1070 O ASN A 71 1.976 -13.278 -33.420 1.00 0.00 O ATOM 1071 CB ASN A 71 0.442 -10.371 -34.392 1.00 0.00 C ATOM 1072 CG ASN A 71 -0.878 -9.683 -34.101 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -1.693 -10.182 -33.325 1.00 0.00 O ATOM 1074 ND2 ASN A 71 -1.094 -8.530 -34.724 1.00 0.00 N ATOM 0 H ASN A 71 1.273 -9.162 -32.402 1.00 0.00 H new ATOM 0 HA ASN A 71 0.207 -11.666 -32.692 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.165 -9.632 -34.738 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.305 -11.086 -35.203 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.964 -8.021 -34.567 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.390 -8.154 -35.359 1.00 0.00 H new ATOM 1081 N TYR A 72 3.175 -11.525 -34.160 1.00 0.00 N ATOM 1082 CA TYR A 72 4.293 -12.342 -34.616 1.00 0.00 C ATOM 1083 C TYR A 72 5.001 -13.003 -33.437 1.00 0.00 C ATOM 1084 O TYR A 72 5.116 -14.228 -33.375 1.00 0.00 O ATOM 1085 CB TYR A 72 5.286 -11.490 -35.408 1.00 0.00 C ATOM 1086 CG TYR A 72 6.041 -12.264 -36.464 1.00 0.00 C ATOM 1087 CD1 TYR A 72 6.674 -13.462 -36.156 1.00 0.00 C ATOM 1088 CD2 TYR A 72 6.124 -11.797 -37.770 1.00 0.00 C ATOM 1089 CE1 TYR A 72 7.366 -14.173 -37.117 1.00 0.00 C ATOM 1090 CE2 TYR A 72 6.812 -12.502 -38.739 1.00 0.00 C ATOM 1091 CZ TYR A 72 7.432 -13.689 -38.407 1.00 0.00 C ATOM 1092 OH TYR A 72 8.120 -14.394 -39.368 1.00 0.00 O ATOM 0 H TYR A 72 3.295 -10.524 -34.312 1.00 0.00 H new ATOM 0 HA TYR A 72 3.897 -13.124 -35.264 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.749 -10.670 -35.885 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.001 -11.043 -34.717 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.624 -13.844 -35.147 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.642 -10.867 -38.032 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.852 -15.102 -36.860 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.864 -12.126 -39.750 1.00 0.00 H new ATOM 0 HH TYR A 72 8.069 -13.917 -40.223 1.00 0.00 H new ATOM 1102 N HIS A 73 5.473 -12.184 -32.503 1.00 0.00 N ATOM 1103 CA HIS A 73 6.168 -12.688 -31.325 1.00 0.00 C ATOM 1104 C HIS A 73 5.495 -13.951 -30.795 1.00 0.00 C ATOM 1105 O HIS A 73 6.124 -15.004 -30.688 1.00 0.00 O ATOM 1106 CB HIS A 73 6.205 -11.619 -30.232 1.00 0.00 C ATOM 1107 CG HIS A 73 6.191 -12.181 -28.844 1.00 0.00 C ATOM 1108 ND1 HIS A 73 7.339 -12.432 -28.122 1.00 0.00 N ATOM 1109 CD2 HIS A 73 5.159 -12.540 -28.044 1.00 0.00 C ATOM 1110 CE1 HIS A 73 7.014 -12.922 -26.939 1.00 0.00 C ATOM 1111 NE2 HIS A 73 5.697 -12.997 -26.866 1.00 0.00 N ATOM 0 H HIS A 73 5.387 -11.168 -32.539 1.00 0.00 H new ATOM 0 HA HIS A 73 7.189 -12.936 -31.615 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.101 -11.011 -30.360 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.349 -10.955 -30.355 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.109 -12.478 -28.287 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.707 -13.212 -26.163 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.166 -13.339 -26.065 1.00 0.00 H new ATOM 1119 N THR A 74 4.213 -13.838 -30.465 1.00 0.00 N ATOM 1120 CA THR A 74 3.455 -14.969 -29.945 1.00 0.00 C ATOM 1121 C THR A 74 3.859 -16.266 -30.636 1.00 0.00 C ATOM 1122 O THR A 74 4.114 -17.277 -29.981 1.00 0.00 O ATOM 1123 CB THR A 74 1.939 -14.759 -30.120 1.00 0.00 C ATOM 1124 OG1 THR A 74 1.548 -13.508 -29.543 1.00 0.00 O ATOM 1125 CG2 THR A 74 1.157 -15.889 -29.470 1.00 0.00 C ATOM 0 H THR A 74 3.677 -12.974 -30.549 1.00 0.00 H new ATOM 0 HA THR A 74 3.684 -15.040 -28.882 1.00 0.00 H new ATOM 0 HB THR A 74 1.717 -14.752 -31.187 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.723 -12.785 -30.181 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.089 -15.718 -29.607 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.435 -16.836 -29.932 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.385 -15.924 -28.405 1.00 0.00 H new ATOM 1133 N MET A 75 3.918 -16.231 -31.963 1.00 0.00 N ATOM 1134 CA MET A 75 4.294 -17.404 -32.743 1.00 0.00 C ATOM 1135 C MET A 75 5.801 -17.633 -32.689 1.00 0.00 C ATOM 1136 O MET A 75 6.261 -18.717 -32.330 1.00 0.00 O ATOM 1137 CB MET A 75 3.843 -17.244 -34.196 1.00 0.00 C ATOM 1138 CG MET A 75 4.468 -18.257 -35.142 1.00 0.00 C ATOM 1139 SD MET A 75 3.411 -18.633 -36.553 1.00 0.00 S ATOM 1140 CE MET A 75 3.457 -17.075 -37.436 1.00 0.00 C ATOM 0 H MET A 75 3.710 -15.403 -32.521 1.00 0.00 H new ATOM 0 HA MET A 75 3.796 -18.271 -32.309 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.758 -17.336 -34.243 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.092 -16.239 -34.537 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.423 -17.873 -35.500 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.679 -19.176 -34.596 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.848 -17.149 -38.337 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.066 -16.283 -36.797 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.486 -16.843 -37.712 1.00 0.00 H new ATOM 1150 N ALA A 76 6.564 -16.606 -33.047 1.00 0.00 N ATOM 1151 CA ALA A 76 8.019 -16.695 -33.038 1.00 0.00 C ATOM 1152 C ALA A 76 8.519 -17.368 -31.764 1.00 0.00 C ATOM 1153 O ALA A 76 9.177 -18.407 -31.818 1.00 0.00 O ATOM 1154 CB ALA A 76 8.634 -15.311 -33.181 1.00 0.00 C ATOM 0 H ALA A 76 6.199 -15.702 -33.347 1.00 0.00 H new ATOM 0 HA ALA A 76 8.326 -17.306 -33.887 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.721 -15.393 -33.173 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.311 -14.865 -34.122 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.311 -14.682 -32.351 1.00 0.00 H new ATOM 1160 N GLU A 77 8.203 -16.769 -30.620 1.00 0.00 N ATOM 1161 CA GLU A 77 8.623 -17.312 -29.333 1.00 0.00 C ATOM 1162 C GLU A 77 7.753 -18.500 -28.934 1.00 0.00 C ATOM 1163 O GLU A 77 8.259 -19.583 -28.639 1.00 0.00 O ATOM 1164 CB GLU A 77 8.556 -16.230 -28.253 1.00 0.00 C ATOM 1165 CG GLU A 77 9.815 -15.384 -28.159 1.00 0.00 C ATOM 1166 CD GLU A 77 11.080 -16.219 -28.167 1.00 0.00 C ATOM 1167 OE1 GLU A 77 11.401 -16.823 -27.122 1.00 0.00 O ATOM 1168 OE2 GLU A 77 11.750 -16.269 -29.220 1.00 0.00 O ATOM 0 H GLU A 77 7.658 -15.909 -30.558 1.00 0.00 H new ATOM 0 HA GLU A 77 9.653 -17.655 -29.430 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.705 -15.579 -28.455 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.373 -16.703 -27.288 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.841 -14.684 -28.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.782 -14.790 -27.246 1.00 0.00 H new ATOM 1175 N HIS A 78 6.441 -18.289 -28.926 1.00 0.00 N ATOM 1176 CA HIS A 78 5.499 -19.342 -28.563 1.00 0.00 C ATOM 1177 C HIS A 78 4.761 -19.860 -29.795 1.00 0.00 C ATOM 1178 O HIS A 78 3.567 -19.615 -29.962 1.00 0.00 O ATOM 1179 CB HIS A 78 4.495 -18.825 -27.533 1.00 0.00 C ATOM 1180 CG HIS A 78 5.052 -17.763 -26.635 1.00 0.00 C ATOM 1181 ND1 HIS A 78 6.323 -17.817 -26.104 1.00 0.00 N ATOM 1182 CD2 HIS A 78 4.503 -16.615 -26.176 1.00 0.00 C ATOM 1183 CE1 HIS A 78 6.532 -16.749 -25.356 1.00 0.00 C ATOM 1184 NE2 HIS A 78 5.442 -16.002 -25.383 1.00 0.00 N ATOM 0 H HIS A 78 6.006 -17.399 -29.167 1.00 0.00 H new ATOM 0 HA HIS A 78 6.064 -20.166 -28.127 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.624 -18.428 -28.054 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.149 -19.660 -26.924 1.00 0.00 H new ATOM 0 HD1 HIS A 78 6.997 -18.566 -26.264 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.511 -16.249 -26.393 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.439 -16.524 -24.814 1.00 0.00 H new