USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 492 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 37 CYS SG : rot -71:sc= -4.23! USER MOD Set 1.2: A 40 CYS SG : rot 69:sc= -2.37! USER MOD Set 2.1: A 35 TYR OH : rot 99:sc= -2.82! USER MOD Set 2.2: A 36 HIS : no HD1:sc= -32! C(o=-35!,f=-43!) USER MOD Set 3.1: A 9 THR OG1 : rot -45:sc= 1.27 USER MOD Set 3.2: A 13 ASN : amide:sc= 0.552 K(o=1.8,f=1) USER MOD Single : A 15 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.9!) USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= 1.98 (180deg=1.47) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 46:sc= 0.109 USER MOD Single : A 24 GLN : amide:sc= -0.481 K(o=-0.48,f=-2.8!) USER MOD Single : A 25 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.9!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 29 GLN : amide:sc= 0.686 K(o=0.69,f=0) USER MOD Single : A 34 ASN : amide:sc=-0.00895 X(o=-0.0089,f=-0.3) USER MOD Single : A 38 GLN : amide:sc= -0.0584 X(o=-0.058,f=0) USER MOD Single : A 44 SER OG : rot 140:sc= -0.67 USER MOD Single : A 49 TYR OH : rot -130:sc= -0.353 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 142:sc= -0.97 (180deg=-3.68!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.819) USER MOD Single : A 58 ASN : amide:sc= -2.26! C(o=-2.3!,f=-1.5!) USER MOD Single : A 70 GLN : amide:sc= 0.859 K(o=0.86,f=-4.7!) USER MOD Single : A 72 GLN : amide:sc= -2.88 K(o=-2.9,f=-6!) USER MOD Single : A 73 TYR OH : rot -171:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 60.470 -7.725 6.583 1.00 0.00 N ATOM 38 CA ASP A 3 59.558 -6.764 5.910 1.00 0.00 C ATOM 39 C ASP A 3 58.946 -7.459 4.666 1.00 0.00 C ATOM 40 O ASP A 3 58.837 -8.675 4.626 1.00 0.00 O ATOM 41 CB ASP A 3 60.372 -5.517 5.530 1.00 0.00 C ATOM 42 CG ASP A 3 59.532 -4.237 5.679 1.00 0.00 C ATOM 43 OD1 ASP A 3 58.375 -4.238 5.279 1.00 0.00 O ATOM 44 OD2 ASP A 3 60.083 -3.260 6.149 1.00 0.00 O ATOM 0 HA ASP A 3 58.741 -6.455 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 3 61.257 -5.450 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 3 60.722 -5.608 4.502 1.00 0.00 H new ATOM 49 N ARG A 4 58.535 -6.706 3.665 1.00 0.00 N ATOM 50 CA ARG A 4 57.902 -7.286 2.416 1.00 0.00 C ATOM 51 C ARG A 4 56.563 -8.010 2.761 1.00 0.00 C ATOM 52 O ARG A 4 56.112 -8.872 2.029 1.00 0.00 O ATOM 53 CB ARG A 4 58.873 -8.270 1.726 1.00 0.00 C ATOM 54 CG ARG A 4 60.176 -7.558 1.328 1.00 0.00 C ATOM 55 CD ARG A 4 61.374 -8.491 1.556 1.00 0.00 C ATOM 56 NE ARG A 4 61.596 -8.675 3.028 1.00 0.00 N ATOM 57 CZ ARG A 4 62.338 -9.638 3.481 1.00 0.00 C ATOM 58 NH1 ARG A 4 61.997 -10.874 3.280 1.00 0.00 N ATOM 59 NH2 ARG A 4 63.419 -9.356 4.131 1.00 0.00 N ATOM 0 H ARG A 4 58.612 -5.689 3.657 1.00 0.00 H new ATOM 0 HA ARG A 4 57.687 -6.465 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 4 59.096 -9.099 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 4 58.400 -8.695 0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 4 60.132 -7.259 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 4 60.297 -6.647 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 4 61.192 -9.456 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 4 62.267 -8.072 1.093 1.00 0.00 H new ATOM 0 HE ARG A 4 61.155 -8.031 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 4 61.144 -11.090 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 4 62.582 -11.629 3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 4 63.683 -8.383 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 4 64.008 -10.107 4.491 1.00 0.00 H new ATOM 73 N ARG A 5 55.932 -7.655 3.871 1.00 0.00 N ATOM 74 CA ARG A 5 54.634 -8.290 4.289 1.00 0.00 C ATOM 75 C ARG A 5 53.602 -7.197 4.642 1.00 0.00 C ATOM 76 O ARG A 5 52.449 -7.300 4.262 1.00 0.00 O ATOM 77 CB ARG A 5 54.829 -9.241 5.501 1.00 0.00 C ATOM 78 CG ARG A 5 56.033 -8.852 6.398 1.00 0.00 C ATOM 79 CD ARG A 5 56.817 -10.105 6.827 1.00 0.00 C ATOM 80 NE ARG A 5 57.328 -10.856 5.626 1.00 0.00 N ATOM 81 CZ ARG A 5 58.347 -11.657 5.729 1.00 0.00 C ATOM 82 NH1 ARG A 5 58.268 -12.738 6.443 1.00 0.00 N ATOM 83 NH2 ARG A 5 59.442 -11.367 5.108 1.00 0.00 N ATOM 0 H ARG A 5 56.273 -6.939 4.512 1.00 0.00 H new ATOM 0 HA ARG A 5 54.267 -8.883 3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 5 53.921 -9.241 6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 5 54.970 -10.259 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 5 56.691 -8.172 5.857 1.00 0.00 H new ATOM 0 HG3 ARG A 5 55.679 -8.319 7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 5 57.654 -9.815 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 5 56.175 -10.755 7.421 1.00 0.00 H new ATOM 0 HE ARG A 5 56.870 -10.735 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 5 57.401 -12.966 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 5 59.073 -13.360 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 5 59.500 -10.518 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 5 60.249 -11.987 5.180 1.00 0.00 H new ATOM 97 N ILE A 6 54.014 -6.150 5.352 1.00 0.00 N ATOM 98 CA ILE A 6 53.067 -5.032 5.727 1.00 0.00 C ATOM 99 C ILE A 6 52.453 -4.324 4.474 1.00 0.00 C ATOM 100 O ILE A 6 51.392 -3.736 4.602 1.00 0.00 O ATOM 101 CB ILE A 6 53.753 -4.023 6.701 1.00 0.00 C ATOM 102 CG1 ILE A 6 54.897 -3.214 6.059 1.00 0.00 C ATOM 103 CG2 ILE A 6 54.353 -4.799 7.866 1.00 0.00 C ATOM 104 CD1 ILE A 6 54.348 -1.972 5.343 1.00 0.00 C ATOM 0 H ILE A 6 54.970 -6.026 5.687 1.00 0.00 H new ATOM 0 HA ILE A 6 52.227 -5.481 6.257 1.00 0.00 H new ATOM 0 HB ILE A 6 52.978 -3.321 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 6 55.610 -2.912 6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 6 55.438 -3.840 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 6 54.836 -4.106 8.555 1.00 0.00 H new ATOM 0 HG22 ILE A 6 53.563 -5.339 8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 6 55.090 -5.509 7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 6 55.172 -1.415 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 6 53.653 -2.280 4.562 1.00 0.00 H new ATOM 0 HD13 ILE A 6 53.828 -1.338 6.061 1.00 0.00 H new ATOM 116 N PRO A 7 53.084 -4.455 3.288 1.00 0.00 N ATOM 117 CA PRO A 7 52.441 -3.842 2.067 1.00 0.00 C ATOM 118 C PRO A 7 51.482 -4.839 1.349 1.00 0.00 C ATOM 119 O PRO A 7 51.183 -4.681 0.175 1.00 0.00 O ATOM 120 CB PRO A 7 53.608 -3.471 1.140 1.00 0.00 C ATOM 121 CG PRO A 7 54.830 -4.233 1.664 1.00 0.00 C ATOM 122 CD PRO A 7 54.567 -4.491 3.140 1.00 0.00 C ATOM 0 HA PRO A 7 51.831 -2.981 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 7 53.389 -3.748 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 7 53.786 -2.396 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 7 54.966 -5.170 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 7 55.741 -3.650 1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 7 54.970 -5.456 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 7 55.043 -3.733 3.763 1.00 0.00 H new ATOM 130 N GLY A 8 51.002 -5.849 2.046 1.00 0.00 N ATOM 131 CA GLY A 8 50.064 -6.864 1.431 1.00 0.00 C ATOM 132 C GLY A 8 50.768 -8.219 1.158 1.00 0.00 C ATOM 133 O GLY A 8 50.098 -9.184 0.849 1.00 0.00 O ATOM 0 H GLY A 8 51.221 -6.018 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 8 49.216 -7.024 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 8 49.665 -6.469 0.497 1.00 0.00 H new ATOM 137 N THR A 9 52.105 -8.282 1.248 1.00 0.00 N ATOM 138 CA THR A 9 52.948 -9.534 0.999 1.00 0.00 C ATOM 139 C THR A 9 53.139 -9.820 -0.504 1.00 0.00 C ATOM 140 O THR A 9 54.188 -10.292 -0.908 1.00 0.00 O ATOM 141 CB THR A 9 52.409 -10.792 1.730 1.00 0.00 C ATOM 142 OG1 THR A 9 51.397 -11.450 0.971 1.00 0.00 O ATOM 143 CG2 THR A 9 51.863 -10.408 3.108 1.00 0.00 C ATOM 0 H THR A 9 52.670 -7.470 1.497 1.00 0.00 H new ATOM 0 HA THR A 9 53.924 -9.310 1.429 1.00 0.00 H new ATOM 0 HB THR A 9 53.241 -11.486 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 9 50.766 -10.786 0.622 1.00 0.00 H new ATOM 0 HG21 THR A 9 51.487 -11.299 3.612 1.00 0.00 H new ATOM 0 HG22 THR A 9 52.660 -9.963 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 9 51.052 -9.689 2.991 1.00 0.00 H new ATOM 151 N ALA A 10 52.152 -9.530 -1.321 1.00 0.00 N ATOM 152 CA ALA A 10 52.265 -9.771 -2.802 1.00 0.00 C ATOM 153 C ALA A 10 51.378 -8.748 -3.572 1.00 0.00 C ATOM 154 O ALA A 10 51.799 -7.626 -3.796 1.00 0.00 O ATOM 155 CB ALA A 10 51.867 -11.230 -3.102 1.00 0.00 C ATOM 0 H ALA A 10 51.261 -9.132 -1.023 1.00 0.00 H new ATOM 0 HA ALA A 10 53.291 -9.624 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 51.945 -11.416 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 10 52.534 -11.906 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 10 50.840 -11.401 -2.778 1.00 0.00 H new ATOM 161 N GLU A 11 50.171 -9.120 -3.967 1.00 0.00 N ATOM 162 CA GLU A 11 49.250 -8.189 -4.716 1.00 0.00 C ATOM 163 C GLU A 11 47.832 -8.296 -4.076 1.00 0.00 C ATOM 164 O GLU A 11 47.680 -7.952 -2.912 1.00 0.00 O ATOM 165 CB GLU A 11 49.261 -8.526 -6.246 1.00 0.00 C ATOM 166 CG GLU A 11 49.619 -10.015 -6.537 1.00 0.00 C ATOM 167 CD GLU A 11 48.603 -10.979 -5.907 1.00 0.00 C ATOM 168 OE1 GLU A 11 47.530 -11.125 -6.459 1.00 0.00 O ATOM 169 OE2 GLU A 11 48.915 -11.540 -4.872 1.00 0.00 O ATOM 0 H GLU A 11 49.781 -10.047 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 11 49.585 -7.155 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 11 48.281 -8.304 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 11 49.980 -7.880 -6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 49.654 -10.177 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 11 50.615 -10.232 -6.150 1.00 0.00 H new ATOM 176 N GLU A 12 46.811 -8.803 -4.767 1.00 0.00 N ATOM 177 CA GLU A 12 45.459 -8.957 -4.128 1.00 0.00 C ATOM 178 C GLU A 12 45.300 -10.390 -3.542 1.00 0.00 C ATOM 179 O GLU A 12 44.194 -10.874 -3.379 1.00 0.00 O ATOM 180 CB GLU A 12 44.355 -8.664 -5.161 1.00 0.00 C ATOM 181 CG GLU A 12 43.150 -8.026 -4.441 1.00 0.00 C ATOM 182 CD GLU A 12 41.850 -8.288 -5.207 1.00 0.00 C ATOM 183 OE1 GLU A 12 41.473 -9.441 -5.327 1.00 0.00 O ATOM 184 OE2 GLU A 12 41.246 -7.322 -5.646 1.00 0.00 O ATOM 0 H GLU A 12 46.866 -9.111 -5.738 1.00 0.00 H new ATOM 0 HA GLU A 12 45.368 -8.243 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 12 44.731 -7.993 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 12 44.052 -9.585 -5.659 1.00 0.00 H new ATOM 0 HG2 GLU A 12 43.069 -8.430 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 12 43.308 -6.952 -4.342 1.00 0.00 H new ATOM 191 N ASN A 13 46.405 -11.057 -3.192 1.00 0.00 N ATOM 192 CA ASN A 13 46.355 -12.448 -2.585 1.00 0.00 C ATOM 193 C ASN A 13 45.375 -12.512 -1.395 1.00 0.00 C ATOM 194 O ASN A 13 44.722 -13.517 -1.164 1.00 0.00 O ATOM 195 CB ASN A 13 47.779 -12.872 -2.130 1.00 0.00 C ATOM 196 CG ASN A 13 48.240 -12.049 -0.918 1.00 0.00 C ATOM 197 OD1 ASN A 13 48.123 -12.489 0.203 1.00 0.00 O ATOM 198 ND2 ASN A 13 48.746 -10.868 -1.088 1.00 0.00 N ATOM 0 H ASN A 13 47.348 -10.686 -3.305 1.00 0.00 H new ATOM 0 HA ASN A 13 45.994 -13.139 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 13 47.783 -13.932 -1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 13 48.482 -12.739 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 13 49.041 -10.319 -0.281 1.00 0.00 H new ATOM 0 HD22 ASN A 13 48.849 -10.488 -2.029 1.00 0.00 H new ATOM 205 N LEU A 14 45.288 -11.439 -0.664 1.00 0.00 N ATOM 206 CA LEU A 14 44.373 -11.350 0.526 1.00 0.00 C ATOM 207 C LEU A 14 42.882 -11.400 0.097 1.00 0.00 C ATOM 208 O LEU A 14 42.073 -12.006 0.782 1.00 0.00 O ATOM 209 CB LEU A 14 44.711 -10.095 1.405 1.00 0.00 C ATOM 210 CG LEU A 14 44.356 -8.693 0.802 1.00 0.00 C ATOM 211 CD1 LEU A 14 45.006 -8.446 -0.560 1.00 0.00 C ATOM 212 CD2 LEU A 14 42.841 -8.479 0.705 1.00 0.00 C ATOM 0 H LEU A 14 45.826 -10.590 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 14 44.542 -12.225 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 14 44.190 -10.197 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 14 45.779 -10.111 1.623 1.00 0.00 H new ATOM 0 HG LEU A 14 44.769 -7.965 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 44.722 -7.459 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 14 46.090 -8.498 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 14 44.670 -9.205 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 42.639 -7.495 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 42.406 -9.246 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 14 42.400 -8.544 1.700 1.00 0.00 H new ATOM 224 N GLN A 15 42.524 -10.798 -1.025 1.00 0.00 N ATOM 225 CA GLN A 15 41.095 -10.819 -1.506 1.00 0.00 C ATOM 226 C GLN A 15 40.866 -11.977 -2.501 1.00 0.00 C ATOM 227 O GLN A 15 39.831 -12.619 -2.453 1.00 0.00 O ATOM 228 CB GLN A 15 40.758 -9.481 -2.196 1.00 0.00 C ATOM 229 CG GLN A 15 39.881 -8.607 -1.283 1.00 0.00 C ATOM 230 CD GLN A 15 38.545 -9.303 -0.989 1.00 0.00 C ATOM 231 OE1 GLN A 15 37.742 -9.513 -1.870 1.00 0.00 O ATOM 232 NE2 GLN A 15 38.271 -9.678 0.225 1.00 0.00 N ATOM 0 H GLN A 15 43.168 -10.290 -1.631 1.00 0.00 H new ATOM 0 HA GLN A 15 40.446 -10.966 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.678 -8.951 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.239 -9.671 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 15 40.406 -8.407 -0.349 1.00 0.00 H new ATOM 0 HG3 GLN A 15 39.698 -7.644 -1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 15 38.940 -9.506 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 15 37.387 -10.144 0.427 1.00 0.00 H new ATOM 241 N LYS A 16 41.820 -12.230 -3.400 1.00 0.00 N ATOM 242 CA LYS A 16 41.725 -13.328 -4.441 1.00 0.00 C ATOM 243 C LYS A 16 40.783 -12.907 -5.591 1.00 0.00 C ATOM 244 O LYS A 16 41.191 -12.905 -6.742 1.00 0.00 O ATOM 245 CB LYS A 16 41.262 -14.667 -3.830 1.00 0.00 C ATOM 246 CG LYS A 16 42.188 -15.078 -2.673 1.00 0.00 C ATOM 247 CD LYS A 16 41.366 -15.224 -1.384 1.00 0.00 C ATOM 248 CE LYS A 16 42.227 -15.835 -0.274 1.00 0.00 C ATOM 249 NZ LYS A 16 42.928 -14.746 0.471 1.00 0.00 N ATOM 0 H LYS A 16 42.688 -11.697 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 16 42.727 -13.481 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 16 40.238 -14.574 -3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 16 41.261 -15.442 -4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 16 42.685 -16.019 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 42.969 -14.330 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 16 40.993 -14.249 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 16 40.496 -15.854 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 16 41.603 -16.413 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.955 -16.524 -0.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.183 -15.084 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 43.790 -14.473 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.299 -13.922 0.554 1.00 0.00 H new ATOM 263 N SER A 17 39.544 -12.543 -5.296 1.00 0.00 N ATOM 264 CA SER A 17 38.593 -12.105 -6.374 1.00 0.00 C ATOM 265 C SER A 17 38.948 -10.665 -6.794 1.00 0.00 C ATOM 266 O SER A 17 38.574 -9.709 -6.127 1.00 0.00 O ATOM 267 CB SER A 17 37.153 -12.165 -5.860 1.00 0.00 C ATOM 268 OG SER A 17 36.252 -12.069 -6.960 1.00 0.00 O ATOM 0 H SER A 17 39.156 -12.532 -4.353 1.00 0.00 H new ATOM 0 HA SER A 17 38.679 -12.770 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.987 -13.097 -5.320 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.973 -11.352 -5.156 1.00 0.00 H new ATOM 0 HG SER A 17 35.329 -12.109 -6.632 1.00 0.00 H new ATOM 274 N SER A 18 39.690 -10.525 -7.888 1.00 0.00 N ATOM 275 CA SER A 18 40.133 -9.168 -8.402 1.00 0.00 C ATOM 276 C SER A 18 38.965 -8.161 -8.394 1.00 0.00 C ATOM 277 O SER A 18 38.000 -8.303 -9.133 1.00 0.00 O ATOM 278 CB SER A 18 40.696 -9.301 -9.831 1.00 0.00 C ATOM 279 OG SER A 18 39.815 -10.083 -10.644 1.00 0.00 O ATOM 0 H SER A 18 40.012 -11.309 -8.455 1.00 0.00 H new ATOM 0 HA SER A 18 40.912 -8.795 -7.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 40.825 -8.312 -10.271 1.00 0.00 H new ATOM 0 HB3 SER A 18 41.681 -9.767 -9.799 1.00 0.00 H new ATOM 0 HG SER A 18 38.892 -9.783 -10.508 1.00 0.00 H new ATOM 285 N GLY A 19 39.048 -7.166 -7.535 1.00 0.00 N ATOM 286 CA GLY A 19 37.955 -6.140 -7.407 1.00 0.00 C ATOM 287 C GLY A 19 37.631 -5.874 -5.919 1.00 0.00 C ATOM 288 O GLY A 19 37.118 -4.819 -5.590 1.00 0.00 O ATOM 0 H GLY A 19 39.839 -7.020 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 19 38.261 -5.212 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 19 37.060 -6.487 -7.923 1.00 0.00 H new ATOM 292 N GLY A 20 37.923 -6.816 -5.023 1.00 0.00 N ATOM 293 CA GLY A 20 37.634 -6.626 -3.557 1.00 0.00 C ATOM 294 C GLY A 20 38.611 -5.636 -2.869 1.00 0.00 C ATOM 295 O GLY A 20 38.434 -5.358 -1.700 1.00 0.00 O ATOM 0 H GLY A 20 38.352 -7.711 -5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 20 36.613 -6.262 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 20 37.689 -7.591 -3.053 1.00 0.00 H new ATOM 299 N VAL A 21 39.628 -5.122 -3.576 1.00 0.00 N ATOM 300 CA VAL A 21 40.639 -4.157 -3.019 1.00 0.00 C ATOM 301 C VAL A 21 41.796 -4.936 -2.330 1.00 0.00 C ATOM 302 O VAL A 21 41.572 -5.707 -1.407 1.00 0.00 O ATOM 303 CB VAL A 21 39.977 -3.076 -2.100 1.00 0.00 C ATOM 304 CG1 VAL A 21 40.273 -3.300 -0.614 1.00 0.00 C ATOM 305 CG2 VAL A 21 40.507 -1.697 -2.496 1.00 0.00 C ATOM 0 H VAL A 21 39.790 -5.353 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 21 41.077 -3.593 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 21 38.898 -3.149 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 21 39.789 -2.521 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 21 39.891 -4.275 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 21 41.350 -3.264 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 40.052 -0.936 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 21 41.590 -1.674 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 21 40.258 -1.497 -3.538 1.00 0.00 H new ATOM 315 N PRO A 22 43.009 -4.695 -2.820 1.00 0.00 N ATOM 316 CA PRO A 22 44.192 -5.378 -2.224 1.00 0.00 C ATOM 317 C PRO A 22 44.710 -4.558 -1.023 1.00 0.00 C ATOM 318 O PRO A 22 44.594 -4.979 0.115 1.00 0.00 O ATOM 319 CB PRO A 22 45.241 -5.450 -3.350 1.00 0.00 C ATOM 320 CG PRO A 22 44.634 -4.775 -4.595 1.00 0.00 C ATOM 321 CD PRO A 22 43.223 -4.316 -4.241 1.00 0.00 C ATOM 0 HA PRO A 22 43.957 -6.375 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 22 46.160 -4.946 -3.050 1.00 0.00 H new ATOM 0 HB3 PRO A 22 45.502 -6.486 -3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 22 45.244 -3.927 -4.904 1.00 0.00 H new ATOM 0 HG3 PRO A 22 44.609 -5.472 -5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 22 43.118 -3.240 -4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 22 42.485 -4.792 -4.886 1.00 0.00 H new ATOM 329 N GLY A 23 45.254 -3.380 -1.279 1.00 0.00 N ATOM 330 CA GLY A 23 45.764 -2.492 -0.179 1.00 0.00 C ATOM 331 C GLY A 23 45.402 -1.032 -0.479 1.00 0.00 C ATOM 332 O GLY A 23 46.203 -0.139 -0.272 1.00 0.00 O ATOM 0 H GLY A 23 45.365 -2.996 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.332 -2.795 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.845 -2.597 -0.087 1.00 0.00 H new ATOM 336 N GLN A 24 44.195 -0.788 -0.967 1.00 0.00 N ATOM 337 CA GLN A 24 43.757 0.616 -1.293 1.00 0.00 C ATOM 338 C GLN A 24 42.688 1.124 -0.294 1.00 0.00 C ATOM 339 O GLN A 24 41.962 2.063 -0.566 1.00 0.00 O ATOM 340 CB GLN A 24 43.206 0.634 -2.716 1.00 0.00 C ATOM 341 CG GLN A 24 44.345 0.849 -3.732 1.00 0.00 C ATOM 342 CD GLN A 24 45.220 -0.414 -3.826 1.00 0.00 C ATOM 343 OE1 GLN A 24 44.756 -1.461 -4.219 1.00 0.00 O ATOM 344 NE2 GLN A 24 46.469 -0.366 -3.470 1.00 0.00 N ATOM 0 H GLN A 24 43.495 -1.506 -1.153 1.00 0.00 H new ATOM 0 HA GLN A 24 44.615 1.284 -1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 24 42.695 -0.306 -2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 24 42.466 1.428 -2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 24 43.929 1.085 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 24 44.955 1.701 -3.431 1.00 0.00 H new ATOM 0 HE21 GLN A 24 46.871 0.510 -3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 24 47.047 -1.205 -3.523 1.00 0.00 H new ATOM 353 N ASN A 25 42.628 0.522 0.867 1.00 0.00 N ATOM 354 CA ASN A 25 41.660 0.941 1.939 1.00 0.00 C ATOM 355 C ASN A 25 42.366 1.919 2.903 1.00 0.00 C ATOM 356 O ASN A 25 41.810 2.938 3.266 1.00 0.00 O ATOM 357 CB ASN A 25 41.124 -0.307 2.675 1.00 0.00 C ATOM 358 CG ASN A 25 42.233 -1.199 3.195 1.00 0.00 C ATOM 359 OD1 ASN A 25 42.854 -0.932 4.195 1.00 0.00 O ATOM 360 ND2 ASN A 25 42.491 -2.277 2.537 1.00 0.00 N ATOM 0 H ASN A 25 43.224 -0.264 1.127 1.00 0.00 H new ATOM 0 HA ASN A 25 40.805 1.455 1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.496 0.009 3.508 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.490 -0.879 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.223 -2.909 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.963 -2.498 1.693 1.00 0.00 H new ATOM 367 N THR A 26 43.602 1.629 3.274 1.00 0.00 N ATOM 368 CA THR A 26 44.395 2.543 4.166 1.00 0.00 C ATOM 369 C THR A 26 44.965 3.715 3.332 1.00 0.00 C ATOM 370 O THR A 26 45.226 4.781 3.864 1.00 0.00 O ATOM 371 CB THR A 26 45.565 1.772 4.811 1.00 0.00 C ATOM 372 OG1 THR A 26 46.288 1.064 3.807 1.00 0.00 O ATOM 373 CG2 THR A 26 45.033 0.778 5.850 1.00 0.00 C ATOM 0 H THR A 26 44.098 0.784 2.990 1.00 0.00 H new ATOM 0 HA THR A 26 43.739 2.926 4.948 1.00 0.00 H new ATOM 0 HB THR A 26 46.226 2.485 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 26 47.031 0.577 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 26 45.868 0.239 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 26 44.490 1.318 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 26 44.362 0.069 5.365 1.00 0.00 H new ATOM 381 N GLY A 27 45.162 3.515 2.027 1.00 0.00 N ATOM 382 CA GLY A 27 45.715 4.596 1.133 1.00 0.00 C ATOM 383 C GLY A 27 47.161 4.949 1.523 1.00 0.00 C ATOM 384 O GLY A 27 47.534 6.108 1.504 1.00 0.00 O ATOM 0 H GLY A 27 44.958 2.637 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 45.685 4.265 0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 27 45.089 5.485 1.202 1.00 0.00 H new ATOM 388 N GLY A 28 47.973 3.965 1.887 1.00 0.00 N ATOM 389 CA GLY A 28 49.399 4.245 2.294 1.00 0.00 C ATOM 390 C GLY A 28 49.471 4.561 3.798 1.00 0.00 C ATOM 391 O GLY A 28 50.244 3.950 4.513 1.00 0.00 O ATOM 0 H GLY A 28 47.706 2.981 1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.026 3.383 2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.790 5.085 1.720 1.00 0.00 H new ATOM 395 N GLN A 29 48.682 5.536 4.258 1.00 0.00 N ATOM 396 CA GLN A 29 48.647 5.982 5.688 1.00 0.00 C ATOM 397 C GLN A 29 49.808 6.955 5.946 1.00 0.00 C ATOM 398 O GLN A 29 50.727 7.075 5.146 1.00 0.00 O ATOM 399 CB GLN A 29 48.711 4.786 6.664 1.00 0.00 C ATOM 400 CG GLN A 29 47.642 4.943 7.755 1.00 0.00 C ATOM 401 CD GLN A 29 47.778 3.814 8.778 1.00 0.00 C ATOM 402 OE1 GLN A 29 47.196 2.763 8.617 1.00 0.00 O ATOM 403 NE2 GLN A 29 48.524 3.981 9.827 1.00 0.00 N ATOM 0 H GLN A 29 48.038 6.053 3.659 1.00 0.00 H new ATOM 0 HA GLN A 29 47.699 6.489 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 29 48.555 3.854 6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 29 49.700 4.728 7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 29 47.752 5.909 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 29 46.648 4.924 7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 29 49.016 4.863 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 29 48.618 3.230 10.511 1.00 0.00 H new ATOM 412 N GLU A 30 49.746 7.659 7.046 1.00 0.00 N ATOM 413 CA GLU A 30 50.815 8.668 7.434 1.00 0.00 C ATOM 414 C GLU A 30 52.164 7.957 7.808 1.00 0.00 C ATOM 415 O GLU A 30 52.727 8.139 8.879 1.00 0.00 O ATOM 416 CB GLU A 30 50.274 9.579 8.589 1.00 0.00 C ATOM 417 CG GLU A 30 50.225 8.880 9.987 1.00 0.00 C ATOM 418 CD GLU A 30 49.420 7.575 9.957 1.00 0.00 C ATOM 419 OE1 GLU A 30 48.205 7.650 9.887 1.00 0.00 O ATOM 420 OE2 GLU A 30 50.032 6.523 9.984 1.00 0.00 O ATOM 0 H GLU A 30 48.983 7.584 7.719 1.00 0.00 H new ATOM 0 HA GLU A 30 51.040 9.304 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 30 50.902 10.467 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 49.271 9.918 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 30 51.241 8.670 10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 30 49.784 9.560 10.716 1.00 0.00 H new ATOM 427 N ALA A 31 52.697 7.164 6.896 1.00 0.00 N ATOM 428 CA ALA A 31 53.981 6.439 7.135 1.00 0.00 C ATOM 429 C ALA A 31 55.150 7.135 6.403 1.00 0.00 C ATOM 430 O ALA A 31 54.991 8.177 5.788 1.00 0.00 O ATOM 431 CB ALA A 31 53.828 4.999 6.634 1.00 0.00 C ATOM 0 H ALA A 31 52.281 6.991 5.981 1.00 0.00 H new ATOM 0 HA ALA A 31 54.206 6.443 8.202 1.00 0.00 H new ATOM 0 HB1 ALA A 31 54.758 4.455 6.801 1.00 0.00 H new ATOM 0 HB2 ALA A 31 53.019 4.509 7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 31 53.599 5.007 5.568 1.00 0.00 H new ATOM 437 N ARG A 32 56.334 6.555 6.507 1.00 0.00 N ATOM 438 CA ARG A 32 57.580 7.120 5.882 1.00 0.00 C ATOM 439 C ARG A 32 57.928 8.598 6.397 1.00 0.00 C ATOM 440 O ARG A 32 57.810 9.538 5.627 1.00 0.00 O ATOM 441 CB ARG A 32 57.436 7.092 4.337 1.00 0.00 C ATOM 442 CG ARG A 32 58.224 5.904 3.749 1.00 0.00 C ATOM 443 CD ARG A 32 57.260 4.764 3.370 1.00 0.00 C ATOM 444 NE ARG A 32 57.545 4.248 1.973 1.00 0.00 N ATOM 445 CZ ARG A 32 57.832 5.055 0.980 1.00 0.00 C ATOM 446 NH1 ARG A 32 57.086 6.092 0.744 1.00 0.00 N ATOM 447 NH2 ARG A 32 58.854 4.806 0.221 1.00 0.00 N ATOM 0 H ARG A 32 56.488 5.685 7.017 1.00 0.00 H new ATOM 0 HA ARG A 32 58.417 6.493 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 32 56.384 7.010 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 32 57.804 8.027 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 32 58.781 6.227 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 32 58.954 5.547 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 32 57.355 3.950 4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 32 56.231 5.120 3.426 1.00 0.00 H new ATOM 0 HE ARG A 32 57.513 3.243 1.800 1.00 0.00 H new ATOM 0 HH11 ARG A 32 56.274 6.281 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 32 57.312 6.718 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 32 59.432 3.984 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 32 59.080 5.432 -0.552 1.00 0.00 H new ATOM 461 N PRO A 33 58.390 8.760 7.680 1.00 0.00 N ATOM 462 CA PRO A 33 58.769 10.152 8.149 1.00 0.00 C ATOM 463 C PRO A 33 60.096 10.206 8.967 1.00 0.00 C ATOM 464 O PRO A 33 61.150 10.305 8.370 1.00 0.00 O ATOM 465 CB PRO A 33 57.577 10.596 8.998 1.00 0.00 C ATOM 466 CG PRO A 33 56.972 9.293 9.564 1.00 0.00 C ATOM 467 CD PRO A 33 57.437 8.149 8.641 1.00 0.00 C ATOM 0 HA PRO A 33 58.966 10.806 7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 33 57.892 11.264 9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 33 56.848 11.140 8.398 1.00 0.00 H new ATOM 0 HG2 PRO A 33 57.306 9.124 10.588 1.00 0.00 H new ATOM 0 HG3 PRO A 33 55.884 9.351 9.590 1.00 0.00 H new ATOM 0 HD2 PRO A 33 57.916 7.355 9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 33 56.591 7.700 8.120 1.00 0.00 H new ATOM 475 N ASN A 34 60.090 10.173 10.313 1.00 0.00 N ATOM 476 CA ASN A 34 61.409 10.232 11.055 1.00 0.00 C ATOM 477 C ASN A 34 61.748 9.023 11.915 1.00 0.00 C ATOM 478 O ASN A 34 62.857 8.938 12.403 1.00 0.00 O ATOM 479 CB ASN A 34 61.626 11.484 11.780 1.00 0.00 C ATOM 480 CG ASN A 34 60.467 11.829 12.724 1.00 0.00 C ATOM 481 OD1 ASN A 34 59.402 12.201 12.285 1.00 0.00 O ATOM 482 ND2 ASN A 34 60.626 11.717 14.007 1.00 0.00 N ATOM 0 H ASN A 34 59.257 10.110 10.898 1.00 0.00 H new ATOM 0 HA ASN A 34 62.127 10.200 10.235 1.00 0.00 H new ATOM 0 HB2 ASN A 34 62.549 11.411 12.356 1.00 0.00 H new ATOM 0 HB3 ASN A 34 61.760 12.295 11.064 1.00 0.00 H new ATOM 0 HD21 ASN A 34 59.857 11.942 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 34 61.520 11.404 14.385 1.00 0.00 H new ATOM 489 N TYR A 35 60.871 8.058 11.913 1.00 0.00 N ATOM 490 CA TYR A 35 61.115 6.675 12.474 1.00 0.00 C ATOM 491 C TYR A 35 62.668 6.319 12.499 1.00 0.00 C ATOM 492 O TYR A 35 63.229 5.911 13.493 1.00 0.00 O ATOM 493 CB TYR A 35 60.317 5.691 11.526 1.00 0.00 C ATOM 494 CG TYR A 35 60.250 6.067 9.993 1.00 0.00 C ATOM 495 CD1 TYR A 35 60.858 7.206 9.398 1.00 0.00 C ATOM 496 CD2 TYR A 35 59.602 5.187 9.142 1.00 0.00 C ATOM 497 CE1 TYR A 35 60.840 7.412 8.058 1.00 0.00 C ATOM 498 CE2 TYR A 35 59.580 5.423 7.768 1.00 0.00 C ATOM 499 CZ TYR A 35 60.224 6.540 7.230 1.00 0.00 C ATOM 500 OH TYR A 35 60.309 6.748 5.871 1.00 0.00 O ATOM 0 H TYR A 35 59.935 8.170 11.523 1.00 0.00 H new ATOM 0 HA TYR A 35 60.780 6.600 13.509 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.764 4.701 11.612 1.00 0.00 H new ATOM 0 HB3 TYR A 35 59.296 5.614 11.901 1.00 0.00 H new ATOM 0 HD1 TYR A 35 61.349 7.929 10.032 1.00 0.00 H new ATOM 0 HD2 TYR A 35 59.111 4.313 9.545 1.00 0.00 H new ATOM 0 HE1 TYR A 35 61.325 8.285 7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 35 59.061 4.737 7.115 1.00 0.00 H new ATOM 0 HH TYR A 35 61.011 6.176 5.496 1.00 0.00 H new ATOM 510 N HIS A 36 63.297 6.569 11.379 1.00 0.00 N ATOM 511 CA HIS A 36 64.783 6.424 11.059 1.00 0.00 C ATOM 512 C HIS A 36 65.110 7.553 9.979 1.00 0.00 C ATOM 513 O HIS A 36 65.860 7.383 9.062 1.00 0.00 O ATOM 514 CB HIS A 36 64.980 5.064 10.476 1.00 0.00 C ATOM 515 CG HIS A 36 63.982 4.937 9.420 1.00 0.00 C ATOM 516 ND1 HIS A 36 63.144 3.895 9.419 1.00 0.00 N ATOM 517 CD2 HIS A 36 63.547 5.819 8.452 1.00 0.00 C ATOM 518 CE1 HIS A 36 62.253 4.157 8.506 1.00 0.00 C ATOM 519 NE2 HIS A 36 62.482 5.276 7.877 1.00 0.00 N ATOM 0 H HIS A 36 62.782 6.911 10.568 1.00 0.00 H new ATOM 0 HA HIS A 36 65.429 6.535 11.930 1.00 0.00 H new ATOM 0 HB2 HIS A 36 65.988 4.952 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 36 64.849 4.291 11.233 1.00 0.00 H new ATOM 0 HD2 HIS A 36 63.991 6.773 8.208 1.00 0.00 H new ATOM 0 HE1 HIS A 36 61.412 3.514 8.292 1.00 0.00 H new ATOM 0 HE2 HIS A 36 61.948 5.658 7.097 1.00 0.00 H new ATOM 527 N CYS A 37 64.388 8.643 10.076 1.00 0.00 N ATOM 528 CA CYS A 37 64.363 9.827 9.129 1.00 0.00 C ATOM 529 C CYS A 37 64.555 9.437 7.663 1.00 0.00 C ATOM 530 O CYS A 37 65.475 9.844 7.002 1.00 0.00 O ATOM 531 CB CYS A 37 65.281 10.847 9.671 1.00 0.00 C ATOM 532 SG CYS A 37 66.977 10.212 9.847 1.00 0.00 S ATOM 0 H CYS A 37 63.745 8.776 10.857 1.00 0.00 H new ATOM 0 HA CYS A 37 63.370 10.275 9.086 1.00 0.00 H new ATOM 0 HB2 CYS A 37 65.286 11.717 9.014 1.00 0.00 H new ATOM 0 HB3 CYS A 37 64.917 11.183 10.642 1.00 0.00 H new ATOM 0 HG CYS A 37 67.019 9.352 10.821 1.00 0.00 H new ATOM 538 N GLN A 38 63.622 8.586 7.243 1.00 0.00 N ATOM 539 CA GLN A 38 63.511 7.913 5.877 1.00 0.00 C ATOM 540 C GLN A 38 64.878 7.767 5.241 1.00 0.00 C ATOM 541 O GLN A 38 65.043 8.005 4.062 1.00 0.00 O ATOM 542 CB GLN A 38 62.527 8.631 4.907 1.00 0.00 C ATOM 543 CG GLN A 38 61.626 9.652 5.614 1.00 0.00 C ATOM 544 CD GLN A 38 61.037 10.619 4.586 1.00 0.00 C ATOM 545 OE1 GLN A 38 61.547 11.698 4.393 1.00 0.00 O ATOM 546 NE2 GLN A 38 59.979 10.281 3.913 1.00 0.00 N ATOM 0 H GLN A 38 62.858 8.306 7.858 1.00 0.00 H new ATOM 0 HA GLN A 38 63.090 6.924 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 38 63.098 9.136 4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 38 61.904 7.886 4.413 1.00 0.00 H new ATOM 0 HG2 GLN A 38 60.825 9.138 6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 38 62.200 10.203 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 38 59.543 9.372 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 38 59.584 10.924 3.227 1.00 0.00 H new ATOM 555 N LEU A 39 65.843 7.370 6.053 1.00 0.00 N ATOM 556 CA LEU A 39 67.262 7.213 5.621 1.00 0.00 C ATOM 557 C LEU A 39 67.950 6.272 6.584 1.00 0.00 C ATOM 558 O LEU A 39 68.422 5.221 6.197 1.00 0.00 O ATOM 559 CB LEU A 39 67.919 8.581 5.735 1.00 0.00 C ATOM 560 CG LEU A 39 67.258 9.547 4.758 1.00 0.00 C ATOM 561 CD1 LEU A 39 67.849 10.918 4.929 1.00 0.00 C ATOM 562 CD2 LEU A 39 67.400 9.016 3.328 1.00 0.00 C ATOM 0 H LEU A 39 65.687 7.142 7.035 1.00 0.00 H new ATOM 0 HA LEU A 39 67.328 6.825 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 39 67.825 8.957 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 68.985 8.503 5.521 1.00 0.00 H new ATOM 0 HG LEU A 39 66.191 9.626 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 67.376 11.608 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 39 67.680 11.262 5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 68.920 10.880 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 39 66.926 9.710 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 39 68.457 8.919 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 39 66.918 8.041 3.252 1.00 0.00 H new ATOM 574 N CYS A 40 67.938 6.637 7.866 1.00 0.00 N ATOM 575 CA CYS A 40 68.507 5.777 8.938 1.00 0.00 C ATOM 576 C CYS A 40 67.953 4.339 8.765 1.00 0.00 C ATOM 577 O CYS A 40 68.654 3.374 9.008 1.00 0.00 O ATOM 578 CB CYS A 40 68.175 6.323 10.345 1.00 0.00 C ATOM 579 SG CYS A 40 68.644 8.074 10.474 1.00 0.00 S ATOM 0 H CYS A 40 67.545 7.517 8.200 1.00 0.00 H new ATOM 0 HA CYS A 40 69.593 5.772 8.849 1.00 0.00 H new ATOM 0 HB2 CYS A 40 67.109 6.210 10.543 1.00 0.00 H new ATOM 0 HB3 CYS A 40 68.703 5.742 11.101 1.00 0.00 H new ATOM 0 HG CYS A 40 67.864 8.789 9.719 1.00 0.00 H new ATOM 585 N PHE A 41 66.688 4.237 8.302 1.00 0.00 N ATOM 586 CA PHE A 41 65.967 2.972 8.050 1.00 0.00 C ATOM 587 C PHE A 41 66.396 1.874 9.050 1.00 0.00 C ATOM 588 O PHE A 41 66.265 2.123 10.235 1.00 0.00 O ATOM 589 CB PHE A 41 66.068 2.676 6.542 1.00 0.00 C ATOM 590 CG PHE A 41 64.972 3.452 5.814 1.00 0.00 C ATOM 591 CD1 PHE A 41 63.596 3.269 6.078 1.00 0.00 C ATOM 592 CD2 PHE A 41 65.342 4.404 4.892 1.00 0.00 C ATOM 593 CE1 PHE A 41 62.666 4.044 5.425 1.00 0.00 C ATOM 594 CE2 PHE A 41 64.407 5.167 4.253 1.00 0.00 C ATOM 595 CZ PHE A 41 63.077 4.997 4.524 1.00 0.00 C ATOM 0 H PHE A 41 66.124 5.059 8.087 1.00 0.00 H new ATOM 0 HA PHE A 41 64.899 3.032 8.258 1.00 0.00 H new ATOM 0 HB2 PHE A 41 67.049 2.965 6.165 1.00 0.00 H new ATOM 0 HB3 PHE A 41 65.959 1.607 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 41 63.276 2.523 6.790 1.00 0.00 H new ATOM 0 HD2 PHE A 41 66.389 4.550 4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 41 61.613 3.904 5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.719 5.907 3.531 1.00 0.00 H new ATOM 0 HZ PHE A 41 62.345 5.616 4.027 1.00 0.00 H new ATOM 605 N LEU A 42 66.853 0.692 8.643 1.00 0.00 N ATOM 606 CA LEU A 42 67.219 -0.402 9.641 1.00 0.00 C ATOM 607 C LEU A 42 65.932 -0.879 10.393 1.00 0.00 C ATOM 608 O LEU A 42 65.441 -1.966 10.139 1.00 0.00 O ATOM 609 CB LEU A 42 68.283 0.109 10.643 1.00 0.00 C ATOM 610 CG LEU A 42 69.513 -0.806 10.619 1.00 0.00 C ATOM 611 CD1 LEU A 42 70.718 -0.048 11.170 1.00 0.00 C ATOM 612 CD2 LEU A 42 69.256 -2.038 11.491 1.00 0.00 C ATOM 0 H LEU A 42 66.989 0.437 7.665 1.00 0.00 H new ATOM 0 HA LEU A 42 67.646 -1.248 9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.574 1.128 10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.862 0.139 11.648 1.00 0.00 H new ATOM 0 HG LEU A 42 69.709 -1.119 9.593 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.594 -0.696 11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.907 0.832 10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 42 70.515 0.262 12.195 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.132 -2.686 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.059 -1.724 12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 42 68.393 -2.582 11.107 1.00 0.00 H new ATOM 624 N ARG A 43 65.371 -0.050 11.273 1.00 0.00 N ATOM 625 CA ARG A 43 64.104 -0.388 12.017 1.00 0.00 C ATOM 626 C ARG A 43 62.953 0.525 11.511 1.00 0.00 C ATOM 627 O ARG A 43 63.117 1.730 11.424 1.00 0.00 O ATOM 628 CB ARG A 43 64.318 -0.164 13.524 1.00 0.00 C ATOM 629 CG ARG A 43 65.080 -1.352 14.132 1.00 0.00 C ATOM 630 CD ARG A 43 64.095 -2.475 14.510 1.00 0.00 C ATOM 631 NE ARG A 43 64.474 -3.776 13.837 1.00 0.00 N ATOM 632 CZ ARG A 43 64.817 -3.822 12.580 1.00 0.00 C ATOM 633 NH1 ARG A 43 63.901 -3.891 11.663 1.00 0.00 N ATOM 634 NH2 ARG A 43 66.072 -3.809 12.255 1.00 0.00 N ATOM 0 H ARG A 43 65.755 0.866 11.505 1.00 0.00 H new ATOM 0 HA ARG A 43 63.844 -1.432 11.842 1.00 0.00 H new ATOM 0 HB2 ARG A 43 64.876 0.758 13.687 1.00 0.00 H new ATOM 0 HB3 ARG A 43 63.356 -0.046 14.022 1.00 0.00 H new ATOM 0 HG2 ARG A 43 65.814 -1.726 13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 43 65.630 -1.028 15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 43 64.088 -2.609 15.592 1.00 0.00 H new ATOM 0 HD3 ARG A 43 63.084 -2.191 14.218 1.00 0.00 H new ATOM 0 HE ARG A 43 64.461 -4.639 14.381 1.00 0.00 H new ATOM 0 HH11 ARG A 43 62.916 -3.909 11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 43 64.166 -3.927 10.679 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.786 -3.763 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 43 66.345 -3.845 11.273 1.00 0.00 H new ATOM 648 N SER A 44 61.825 -0.086 11.124 1.00 0.00 N ATOM 649 CA SER A 44 60.585 0.609 10.542 1.00 0.00 C ATOM 650 C SER A 44 60.572 0.265 9.034 1.00 0.00 C ATOM 651 O SER A 44 60.186 -0.836 8.698 1.00 0.00 O ATOM 652 CB SER A 44 60.554 2.121 10.812 1.00 0.00 C ATOM 653 OG SER A 44 59.209 2.573 10.729 1.00 0.00 O ATOM 0 H SER A 44 61.709 -1.097 11.193 1.00 0.00 H new ATOM 0 HA SER A 44 59.680 0.249 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 44 60.965 2.337 11.798 1.00 0.00 H new ATOM 0 HB3 SER A 44 61.174 2.647 10.086 1.00 0.00 H new ATOM 0 HG SER A 44 59.040 3.230 11.436 1.00 0.00 H new ATOM 659 N LEU A 45 61.104 1.123 8.148 1.00 0.00 N ATOM 660 CA LEU A 45 61.275 0.797 6.715 1.00 0.00 C ATOM 661 C LEU A 45 59.919 0.702 6.007 1.00 0.00 C ATOM 662 O LEU A 45 59.441 1.695 5.478 1.00 0.00 O ATOM 663 CB LEU A 45 62.127 -0.507 6.628 1.00 0.00 C ATOM 664 CG LEU A 45 63.548 -0.383 7.299 1.00 0.00 C ATOM 665 CD1 LEU A 45 64.510 0.083 6.262 1.00 0.00 C ATOM 666 CD2 LEU A 45 63.662 0.620 8.482 1.00 0.00 C ATOM 0 H LEU A 45 61.427 2.057 8.399 1.00 0.00 H new ATOM 0 HA LEU A 45 61.806 1.589 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 45 61.580 -1.320 7.105 1.00 0.00 H new ATOM 0 HB3 LEU A 45 62.253 -0.779 5.580 1.00 0.00 H new ATOM 0 HG LEU A 45 63.753 -1.373 7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.503 0.177 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.542 -0.638 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.190 1.052 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.683 0.619 8.862 1.00 0.00 H new ATOM 0 HD22 LEU A 45 63.404 1.621 8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 62.978 0.323 9.278 1.00 0.00 H new ATOM 678 N GLY A 46 59.300 -0.450 5.996 1.00 0.00 N ATOM 679 CA GLY A 46 57.960 -0.587 5.322 1.00 0.00 C ATOM 680 C GLY A 46 58.028 -1.403 4.016 1.00 0.00 C ATOM 681 O GLY A 46 56.998 -1.756 3.468 1.00 0.00 O ATOM 0 H GLY A 46 59.658 -1.305 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 46 57.261 -1.065 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 46 57.565 0.405 5.105 1.00 0.00 H new ATOM 685 N ILE A 47 59.213 -1.651 3.490 1.00 0.00 N ATOM 686 CA ILE A 47 59.365 -2.378 2.174 1.00 0.00 C ATOM 687 C ILE A 47 60.837 -2.833 2.012 1.00 0.00 C ATOM 688 O ILE A 47 61.422 -2.645 0.956 1.00 0.00 O ATOM 689 CB ILE A 47 59.021 -1.380 1.006 1.00 0.00 C ATOM 690 CG1 ILE A 47 59.229 0.112 1.415 1.00 0.00 C ATOM 691 CG2 ILE A 47 57.566 -1.567 0.566 1.00 0.00 C ATOM 692 CD1 ILE A 47 60.655 0.375 1.957 1.00 0.00 C ATOM 0 H ILE A 47 60.095 -1.377 3.923 1.00 0.00 H new ATOM 0 HA ILE A 47 58.701 -3.242 2.148 1.00 0.00 H new ATOM 0 HB ILE A 47 59.704 -1.608 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 47 59.046 0.753 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 47 58.497 0.384 2.175 1.00 0.00 H new ATOM 0 HG21 ILE A 47 57.338 -0.872 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 47 57.420 -2.589 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 47 56.903 -1.373 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 47 60.753 1.426 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 47 60.830 -0.245 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 47 61.388 0.129 1.188 1.00 0.00 H new ATOM 704 N ASP A 48 61.477 -3.334 3.075 1.00 0.00 N ATOM 705 CA ASP A 48 62.952 -3.681 3.002 1.00 0.00 C ATOM 706 C ASP A 48 63.669 -2.408 2.454 1.00 0.00 C ATOM 707 O ASP A 48 64.503 -2.451 1.566 1.00 0.00 O ATOM 708 CB ASP A 48 63.150 -4.920 2.091 1.00 0.00 C ATOM 709 CG ASP A 48 63.518 -6.162 2.921 1.00 0.00 C ATOM 710 OD1 ASP A 48 62.984 -6.336 4.010 1.00 0.00 O ATOM 711 OD2 ASP A 48 64.315 -6.943 2.443 1.00 0.00 O ATOM 0 H ASP A 48 61.039 -3.513 3.979 1.00 0.00 H new ATOM 0 HA ASP A 48 63.371 -3.948 3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 48 62.236 -5.112 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 63.936 -4.719 1.363 1.00 0.00 H new ATOM 716 N TYR A 49 63.223 -1.259 2.966 1.00 0.00 N ATOM 717 CA TYR A 49 63.683 0.098 2.525 1.00 0.00 C ATOM 718 C TYR A 49 65.165 0.210 2.253 1.00 0.00 C ATOM 719 O TYR A 49 65.535 0.759 1.225 1.00 0.00 O ATOM 720 CB TYR A 49 63.340 1.121 3.613 1.00 0.00 C ATOM 721 CG TYR A 49 62.860 2.375 2.962 1.00 0.00 C ATOM 722 CD1 TYR A 49 63.715 3.125 2.164 1.00 0.00 C ATOM 723 CD2 TYR A 49 61.542 2.780 3.141 1.00 0.00 C ATOM 724 CE1 TYR A 49 63.252 4.253 1.550 1.00 0.00 C ATOM 725 CE2 TYR A 49 61.072 3.908 2.538 1.00 0.00 C ATOM 726 CZ TYR A 49 61.918 4.666 1.722 1.00 0.00 C ATOM 727 OH TYR A 49 61.451 5.808 1.105 1.00 0.00 O ATOM 0 H TYR A 49 62.524 -1.223 3.708 1.00 0.00 H new ATOM 0 HA TYR A 49 63.168 0.285 1.583 1.00 0.00 H new ATOM 0 HB2 TYR A 49 62.572 0.723 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 49 64.217 1.327 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 49 64.741 2.817 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 49 60.883 2.194 3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 49 63.916 4.834 0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 49 60.048 4.216 2.690 1.00 0.00 H new ATOM 0 HH TYR A 49 60.995 6.373 1.764 1.00 0.00 H new ATOM 737 N LEU A 50 66.002 -0.212 3.197 1.00 0.00 N ATOM 738 CA LEU A 50 67.478 -0.036 3.067 1.00 0.00 C ATOM 739 C LEU A 50 67.731 1.466 3.333 1.00 0.00 C ATOM 740 O LEU A 50 68.197 1.832 4.397 1.00 0.00 O ATOM 741 CB LEU A 50 67.942 -0.446 1.647 1.00 0.00 C ATOM 742 CG LEU A 50 69.475 -0.651 1.564 1.00 0.00 C ATOM 743 CD1 LEU A 50 70.231 0.642 1.892 1.00 0.00 C ATOM 744 CD2 LEU A 50 69.911 -1.749 2.541 1.00 0.00 C ATOM 0 H LEU A 50 65.706 -0.675 4.056 1.00 0.00 H new ATOM 0 HA LEU A 50 68.036 -0.661 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 67.438 -1.368 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 50 67.641 0.321 0.934 1.00 0.00 H new ATOM 0 HG LEU A 50 69.715 -0.944 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 50 71.304 0.463 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 50 69.947 1.419 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 50 69.980 0.964 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 50 70.990 -1.886 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 50 69.643 -1.459 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 50 69.410 -2.683 2.286 1.00 0.00 H new ATOM 756 N ASP A 51 67.370 2.306 2.359 1.00 0.00 N ATOM 757 CA ASP A 51 67.494 3.792 2.415 1.00 0.00 C ATOM 758 C ASP A 51 67.172 4.310 0.994 1.00 0.00 C ATOM 759 O ASP A 51 66.185 4.995 0.816 1.00 0.00 O ATOM 760 CB ASP A 51 68.896 4.140 2.923 1.00 0.00 C ATOM 761 CG ASP A 51 69.198 5.646 3.007 1.00 0.00 C ATOM 762 OD1 ASP A 51 68.584 6.429 2.307 1.00 0.00 O ATOM 763 OD2 ASP A 51 70.099 5.979 3.752 1.00 0.00 O ATOM 0 H ASP A 51 66.971 1.977 1.480 1.00 0.00 H new ATOM 0 HA ASP A 51 66.802 4.272 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 51 69.027 3.702 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 51 69.631 3.673 2.267 1.00 0.00 H new ATOM 768 N ALA A 52 67.948 3.915 -0.018 1.00 0.00 N ATOM 769 CA ALA A 52 67.691 4.290 -1.472 1.00 0.00 C ATOM 770 C ALA A 52 67.730 5.812 -1.773 1.00 0.00 C ATOM 771 O ALA A 52 68.355 6.205 -2.742 1.00 0.00 O ATOM 772 CB ALA A 52 66.351 3.705 -1.921 1.00 0.00 C ATOM 0 H ALA A 52 68.774 3.330 0.111 1.00 0.00 H new ATOM 0 HA ALA A 52 68.519 3.863 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 66.167 3.973 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 52 66.378 2.620 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 52 65.552 4.105 -1.297 1.00 0.00 H new ATOM 778 N SER A 53 67.099 6.659 -0.964 1.00 0.00 N ATOM 779 CA SER A 53 67.120 8.151 -1.198 1.00 0.00 C ATOM 780 C SER A 53 68.590 8.563 -1.128 1.00 0.00 C ATOM 781 O SER A 53 69.183 8.973 -2.109 1.00 0.00 O ATOM 782 CB SER A 53 66.277 8.839 -0.107 1.00 0.00 C ATOM 783 OG SER A 53 66.384 10.254 -0.230 1.00 0.00 O ATOM 0 H SER A 53 66.566 6.370 -0.144 1.00 0.00 H new ATOM 0 HA SER A 53 66.696 8.439 -2.160 1.00 0.00 H new ATOM 0 HB2 SER A 53 65.234 8.536 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 53 66.617 8.525 0.880 1.00 0.00 H new ATOM 0 HG SER A 53 65.844 10.685 0.466 1.00 0.00 H new ATOM 789 N LEU A 54 69.192 8.330 0.007 1.00 0.00 N ATOM 790 CA LEU A 54 70.645 8.552 0.177 1.00 0.00 C ATOM 791 C LEU A 54 71.357 7.183 0.020 1.00 0.00 C ATOM 792 O LEU A 54 72.519 7.136 -0.344 1.00 0.00 O ATOM 793 CB LEU A 54 70.906 9.082 1.592 1.00 0.00 C ATOM 794 CG LEU A 54 70.357 10.504 1.744 1.00 0.00 C ATOM 795 CD1 LEU A 54 70.540 10.955 3.186 1.00 0.00 C ATOM 796 CD2 LEU A 54 71.108 11.466 0.821 1.00 0.00 C ATOM 0 H LEU A 54 68.718 7.986 0.842 1.00 0.00 H new ATOM 0 HA LEU A 54 71.012 9.267 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 54 70.437 8.425 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 54 71.977 9.076 1.797 1.00 0.00 H new ATOM 0 HG LEU A 54 69.300 10.508 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 70.152 11.967 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 54 70.000 10.280 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 54 71.600 10.942 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 54 70.707 12.472 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 72.167 11.465 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 54 70.986 11.147 -0.214 1.00 0.00 H new ATOM 808 N ARG A 55 70.660 6.073 0.348 1.00 0.00 N ATOM 809 CA ARG A 55 71.238 4.684 0.317 1.00 0.00 C ATOM 810 C ARG A 55 72.643 4.696 0.978 1.00 0.00 C ATOM 811 O ARG A 55 73.592 4.086 0.503 1.00 0.00 O ATOM 812 CB ARG A 55 71.279 4.138 -1.101 1.00 0.00 C ATOM 813 CG ARG A 55 71.221 2.612 -1.028 1.00 0.00 C ATOM 814 CD ARG A 55 70.336 2.043 -2.146 1.00 0.00 C ATOM 815 NE ARG A 55 69.361 1.073 -1.538 1.00 0.00 N ATOM 816 CZ ARG A 55 68.348 0.604 -2.209 1.00 0.00 C ATOM 817 NH1 ARG A 55 68.527 0.062 -3.375 1.00 0.00 N ATOM 818 NH2 ARG A 55 67.157 0.665 -1.698 1.00 0.00 N ATOM 0 H ARG A 55 69.684 6.099 0.642 1.00 0.00 H new ATOM 0 HA ARG A 55 70.596 4.014 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 55 70.440 4.523 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 55 72.190 4.460 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 55 72.227 2.202 -1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 55 70.830 2.305 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 55 69.803 2.847 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 55 70.949 1.544 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 55 69.497 0.774 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 55 69.465 0.002 -3.771 1.00 0.00 H new ATOM 0 HH12 ARG A 55 67.729 -0.303 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 55 67.018 1.078 -0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 55 66.359 0.300 -2.218 1.00 0.00 H new ATOM 832 N LYS A 56 72.743 5.421 2.085 1.00 0.00 N ATOM 833 CA LYS A 56 74.025 5.580 2.883 1.00 0.00 C ATOM 834 C LYS A 56 75.255 6.066 2.044 1.00 0.00 C ATOM 835 O LYS A 56 76.373 6.016 2.538 1.00 0.00 O ATOM 836 CB LYS A 56 74.348 4.240 3.552 1.00 0.00 C ATOM 837 CG LYS A 56 73.269 3.931 4.590 1.00 0.00 C ATOM 838 CD LYS A 56 72.209 3.000 3.982 1.00 0.00 C ATOM 839 CE LYS A 56 71.220 2.553 5.070 1.00 0.00 C ATOM 840 NZ LYS A 56 70.568 3.746 5.705 1.00 0.00 N ATOM 0 H LYS A 56 71.954 5.930 2.484 1.00 0.00 H new ATOM 0 HA LYS A 56 73.847 6.366 3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 56 74.391 3.447 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 56 75.328 4.283 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 73.718 3.462 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 56 72.802 4.856 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 56 71.676 3.515 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 56 72.690 2.130 3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 56 70.460 1.904 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 56 71.742 1.969 5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 69.570 3.532 5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 71.056 3.976 6.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 70.626 4.558 5.058 1.00 0.00 H new ATOM 854 N LYS A 57 75.063 6.543 0.812 1.00 0.00 N ATOM 855 CA LYS A 57 76.198 7.039 -0.076 1.00 0.00 C ATOM 856 C LYS A 57 75.717 7.231 -1.547 1.00 0.00 C ATOM 857 O LYS A 57 76.240 8.074 -2.259 1.00 0.00 O ATOM 858 CB LYS A 57 77.398 6.053 -0.084 1.00 0.00 C ATOM 859 CG LYS A 57 76.994 4.640 -0.580 1.00 0.00 C ATOM 860 CD LYS A 57 76.964 3.621 0.579 1.00 0.00 C ATOM 861 CE LYS A 57 78.342 3.511 1.255 1.00 0.00 C ATOM 862 NZ LYS A 57 78.223 3.900 2.697 1.00 0.00 N ATOM 0 H LYS A 57 74.143 6.610 0.377 1.00 0.00 H new ATOM 0 HA LYS A 57 76.518 7.994 0.341 1.00 0.00 H new ATOM 0 HB2 LYS A 57 78.187 6.449 -0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 57 77.811 5.978 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.012 4.686 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.698 4.306 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 57 76.218 3.923 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 57 76.662 2.644 0.201 1.00 0.00 H new ATOM 0 HE2 LYS A 57 78.719 2.492 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.059 4.158 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 79.152 4.203 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.544 4.682 2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 77.890 3.085 3.250 1.00 0.00 H new ATOM 876 N ASN A 58 74.744 6.439 -1.988 1.00 0.00 N ATOM 877 CA ASN A 58 74.193 6.498 -3.396 1.00 0.00 C ATOM 878 C ASN A 58 73.740 7.927 -3.755 1.00 0.00 C ATOM 879 O ASN A 58 74.392 8.577 -4.534 1.00 0.00 O ATOM 880 CB ASN A 58 72.994 5.536 -3.487 1.00 0.00 C ATOM 881 CG ASN A 58 73.469 4.084 -3.631 1.00 0.00 C ATOM 882 OD1 ASN A 58 73.373 3.510 -4.693 1.00 0.00 O ATOM 883 ND2 ASN A 58 73.960 3.447 -2.607 1.00 0.00 N ATOM 0 H ASN A 58 74.297 5.731 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 58 74.973 6.208 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 58 72.375 5.634 -2.595 1.00 0.00 H new ATOM 0 HB3 ASN A 58 72.370 5.805 -4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 58 74.258 2.477 -2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 58 74.046 3.919 -1.707 1.00 0.00 H new ATOM 1057 N GLY A 68 63.904 2.478 -10.249 1.00 0.00 N ATOM 1058 CA GLY A 68 63.235 2.426 -8.901 1.00 0.00 C ATOM 1059 C GLY A 68 63.237 3.834 -8.290 1.00 0.00 C ATOM 1060 O GLY A 68 63.897 4.076 -7.297 1.00 0.00 O ATOM 0 HA2 GLY A 68 62.213 2.060 -9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 68 63.760 1.730 -8.246 1.00 0.00 H new ATOM 1064 N ARG A 69 62.512 4.757 -8.910 1.00 0.00 N ATOM 1065 CA ARG A 69 62.447 6.196 -8.438 1.00 0.00 C ATOM 1066 C ARG A 69 62.156 6.293 -6.922 1.00 0.00 C ATOM 1067 O ARG A 69 62.900 6.932 -6.197 1.00 0.00 O ATOM 1068 CB ARG A 69 61.357 6.947 -9.229 1.00 0.00 C ATOM 1069 CG ARG A 69 61.829 7.169 -10.675 1.00 0.00 C ATOM 1070 CD ARG A 69 60.650 7.619 -11.559 1.00 0.00 C ATOM 1071 NE ARG A 69 59.688 6.480 -11.827 1.00 0.00 N ATOM 1072 CZ ARG A 69 60.106 5.256 -12.002 1.00 0.00 C ATOM 1073 NH1 ARG A 69 60.745 4.935 -13.083 1.00 0.00 N ATOM 1074 NH2 ARG A 69 59.867 4.362 -11.095 1.00 0.00 N ATOM 0 H ARG A 69 61.951 4.568 -9.741 1.00 0.00 H new ATOM 0 HA ARG A 69 63.421 6.653 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 69 60.429 6.375 -9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.144 7.905 -8.754 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.617 7.922 -10.696 1.00 0.00 H new ATOM 0 HG3 ARG A 69 62.258 6.248 -11.070 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.120 8.437 -11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.030 8.005 -12.505 1.00 0.00 H new ATOM 0 HE ARG A 69 58.688 6.675 -11.872 1.00 0.00 H new ATOM 0 HH11 ARG A 69 60.922 5.640 -13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 69 61.071 3.978 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG A 69 59.355 4.617 -10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 69 60.191 3.404 -11.226 1.00 0.00 H new ATOM 1088 N GLN A 70 61.100 5.659 -6.439 1.00 0.00 N ATOM 1089 CA GLN A 70 60.782 5.698 -4.993 1.00 0.00 C ATOM 1090 C GLN A 70 61.155 4.340 -4.371 1.00 0.00 C ATOM 1091 O GLN A 70 60.934 3.307 -4.983 1.00 0.00 O ATOM 1092 CB GLN A 70 59.277 5.955 -4.825 1.00 0.00 C ATOM 1093 CG GLN A 70 58.808 5.494 -3.433 1.00 0.00 C ATOM 1094 CD GLN A 70 57.891 6.531 -2.779 1.00 0.00 C ATOM 1095 OE1 GLN A 70 58.185 7.023 -1.711 1.00 0.00 O ATOM 1096 NE2 GLN A 70 56.775 6.869 -3.356 1.00 0.00 N ATOM 0 H GLN A 70 60.448 5.115 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 70 61.342 6.491 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 70 59.066 7.017 -4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 70 58.722 5.423 -5.598 1.00 0.00 H new ATOM 0 HG2 GLN A 70 58.280 4.544 -3.522 1.00 0.00 H new ATOM 0 HG3 GLN A 70 59.674 5.319 -2.795 1.00 0.00 H new ATOM 0 HE21 GLN A 70 56.521 6.459 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 70 56.154 7.544 -2.910 1.00 0.00 H new ATOM 1105 N PRO A 71 61.650 4.388 -3.147 1.00 0.00 N ATOM 1106 CA PRO A 71 61.971 3.117 -2.465 1.00 0.00 C ATOM 1107 C PRO A 71 60.700 2.531 -1.795 1.00 0.00 C ATOM 1108 O PRO A 71 60.527 2.568 -0.583 1.00 0.00 O ATOM 1109 CB PRO A 71 63.050 3.447 -1.448 1.00 0.00 C ATOM 1110 CG PRO A 71 63.308 4.970 -1.515 1.00 0.00 C ATOM 1111 CD PRO A 71 62.441 5.535 -2.632 1.00 0.00 C ATOM 0 HA PRO A 71 62.325 2.356 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 71 62.733 3.156 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 71 63.964 2.894 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 71 63.063 5.442 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 71 64.362 5.172 -1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 71 61.788 6.325 -2.260 1.00 0.00 H new ATOM 0 HD3 PRO A 71 63.054 5.973 -3.420 1.00 0.00 H new ATOM 1119 N GLN A 72 59.821 1.982 -2.602 1.00 0.00 N ATOM 1120 CA GLN A 72 58.552 1.353 -2.088 1.00 0.00 C ATOM 1121 C GLN A 72 58.419 -0.057 -2.666 1.00 0.00 C ATOM 1122 O GLN A 72 57.464 -0.454 -3.312 1.00 0.00 O ATOM 1123 CB GLN A 72 57.375 2.271 -2.379 1.00 0.00 C ATOM 1124 CG GLN A 72 56.749 2.130 -3.794 1.00 0.00 C ATOM 1125 CD GLN A 72 57.767 2.280 -4.940 1.00 0.00 C ATOM 1126 OE1 GLN A 72 58.004 3.362 -5.404 1.00 0.00 O ATOM 1127 NE2 GLN A 72 58.340 1.239 -5.459 1.00 0.00 N ATOM 0 H GLN A 72 59.929 1.941 -3.615 1.00 0.00 H new ATOM 0 HA GLN A 72 58.574 1.235 -1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 72 56.599 2.083 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 72 57.700 3.303 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 72 56.268 1.155 -3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 72 55.968 2.882 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 72 58.152 0.311 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 72 58.979 1.348 -6.247 1.00 0.00 H new ATOM 1136 N TYR A 73 59.450 -0.781 -2.458 1.00 0.00 N ATOM 1137 CA TYR A 73 59.558 -2.162 -3.016 1.00 0.00 C ATOM 1138 C TYR A 73 60.248 -3.140 -2.014 1.00 0.00 C ATOM 1139 O TYR A 73 59.641 -3.506 -1.027 1.00 0.00 O ATOM 1140 CB TYR A 73 60.292 -2.055 -4.389 1.00 0.00 C ATOM 1141 CG TYR A 73 61.324 -0.914 -4.459 1.00 0.00 C ATOM 1142 CD1 TYR A 73 62.303 -0.737 -3.462 1.00 0.00 C ATOM 1143 CD2 TYR A 73 61.344 -0.087 -5.588 1.00 0.00 C ATOM 1144 CE1 TYR A 73 63.283 0.241 -3.608 1.00 0.00 C ATOM 1145 CE2 TYR A 73 62.315 0.903 -5.720 1.00 0.00 C ATOM 1146 CZ TYR A 73 63.295 1.063 -4.737 1.00 0.00 C ATOM 1147 OH TYR A 73 64.273 2.032 -4.872 1.00 0.00 O ATOM 0 H TYR A 73 60.257 -0.482 -1.911 1.00 0.00 H new ATOM 0 HA TYR A 73 58.570 -2.593 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 73 60.795 -3.000 -4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 73 59.551 -1.910 -5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 73 62.293 -1.362 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 73 60.602 -0.217 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 73 64.037 0.365 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 73 62.310 1.549 -6.585 1.00 0.00 H new ATOM 0 HH TYR A 73 64.056 2.612 -5.631 1.00 0.00 H new ATOM 1157 N LEU A 74 61.478 -3.578 -2.268 1.00 0.00 N ATOM 1158 CA LEU A 74 62.204 -4.534 -1.345 1.00 0.00 C ATOM 1159 C LEU A 74 63.633 -4.782 -1.895 1.00 0.00 C ATOM 1160 O LEU A 74 64.064 -5.912 -2.086 1.00 0.00 O ATOM 1161 CB LEU A 74 61.422 -5.855 -1.206 1.00 0.00 C ATOM 1162 CG LEU A 74 61.071 -6.438 -2.580 1.00 0.00 C ATOM 1163 CD1 LEU A 74 61.549 -7.879 -2.631 1.00 0.00 C ATOM 1164 CD2 LEU A 74 59.555 -6.392 -2.791 1.00 0.00 C ATOM 0 H LEU A 74 62.015 -3.306 -3.091 1.00 0.00 H new ATOM 0 HA LEU A 74 62.279 -4.095 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 74 62.016 -6.575 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 74 60.508 -5.682 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 74 61.554 -5.855 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 74 61.307 -8.309 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 62.628 -7.910 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 74 61.056 -8.454 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 74 59.311 -6.807 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 74 59.062 -6.977 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 74 59.212 -5.359 -2.740 1.00 0.00 H new ATOM 1176 N LEU A 75 64.348 -3.708 -2.184 1.00 0.00 N ATOM 1177 CA LEU A 75 65.732 -3.815 -2.761 1.00 0.00 C ATOM 1178 C LEU A 75 66.462 -2.458 -2.638 1.00 0.00 C ATOM 1179 O LEU A 75 65.928 -1.454 -3.103 1.00 0.00 O ATOM 1180 CB LEU A 75 65.651 -4.247 -4.251 1.00 0.00 C ATOM 1181 CG LEU A 75 64.511 -3.504 -4.988 1.00 0.00 C ATOM 1182 CD1 LEU A 75 65.083 -2.693 -6.146 1.00 0.00 C ATOM 1183 CD2 LEU A 75 63.500 -4.517 -5.532 1.00 0.00 C ATOM 1184 OXT LEU A 75 67.543 -2.441 -2.074 1.00 0.00 O ATOM 0 H LEU A 75 64.023 -2.752 -2.041 1.00 0.00 H new ATOM 0 HA LEU A 75 66.293 -4.567 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 75 66.601 -4.041 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 75 65.487 -5.323 -4.312 1.00 0.00 H new ATOM 0 HG LEU A 75 64.015 -2.834 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 75 64.275 -2.173 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 75 65.797 -1.964 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 65.586 -3.361 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 75 62.699 -3.989 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 75 63.999 -5.192 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 75 63.081 -5.092 -4.706 1.00 0.00 H new