USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 Single : A 3 THR OG1 : rot 45:sc= 0.1 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 6 SER OG : rot 180:sc= 0.108 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 11 GLN : amide:sc= -0.417 K(o=-0.42,f=-0.93) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0.301 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -1.88 F(o=-2.4,f=-1.9) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.29) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= -0.583 (180deg=-2.3!) USER MOD Single : A 56 HIS : no HE2:sc= 1.55 K(o=1.5,f=-6!) USER MOD Single : A 58 GLN : amide:sc= -0.226 K(o=-0.23,f=-2.5!) USER MOD Single : A 62 HIS : no HE2:sc= -8.81! C(o=-8.8!,f=-13!) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -17:sc= 0.807 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.8 F(o=-3!,f=-1.8) USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= -0.841 (180deg=-5.06!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 1.945 -18.660 -1.228 1.00 0.00 N ATOM 30 CA THR A 3 3.160 -18.702 -2.024 1.00 0.00 C ATOM 31 C THR A 3 3.682 -17.287 -2.279 1.00 0.00 C ATOM 32 O THR A 3 2.908 -16.332 -2.306 1.00 0.00 O ATOM 33 CB THR A 3 2.858 -19.479 -3.307 1.00 0.00 C ATOM 34 OG1 THR A 3 2.654 -20.818 -2.863 1.00 0.00 O ATOM 35 CG2 THR A 3 4.072 -19.575 -4.233 1.00 0.00 C ATOM 0 HA THR A 3 3.961 -19.218 -1.495 1.00 0.00 H new ATOM 0 HB THR A 3 2.035 -18.999 -3.836 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.078 -20.816 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.803 -20.136 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.394 -18.573 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.885 -20.085 -3.716 1.00 0.00 H new ATOM 43 N THR A 4 4.992 -17.197 -2.459 1.00 0.00 N ATOM 44 CA THR A 4 5.625 -15.914 -2.710 1.00 0.00 C ATOM 45 C THR A 4 5.683 -15.633 -4.214 1.00 0.00 C ATOM 46 O THR A 4 5.078 -16.353 -5.007 1.00 0.00 O ATOM 47 CB THR A 4 7.002 -15.927 -2.042 1.00 0.00 C ATOM 48 OG1 THR A 4 7.686 -17.003 -2.678 1.00 0.00 O ATOM 49 CG2 THR A 4 6.934 -16.345 -0.572 1.00 0.00 C ATOM 0 H THR A 4 5.631 -17.991 -2.436 1.00 0.00 H new ATOM 0 HA THR A 4 5.046 -15.097 -2.280 1.00 0.00 H new ATOM 0 HB THR A 4 7.452 -14.937 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.589 -17.082 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.937 -16.338 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.301 -15.647 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.515 -17.349 -0.498 1.00 0.00 H new ATOM 57 N ILE A 5 6.415 -14.585 -4.559 1.00 0.00 N ATOM 58 CA ILE A 5 6.559 -14.200 -5.953 1.00 0.00 C ATOM 59 C ILE A 5 7.539 -13.029 -6.056 1.00 0.00 C ATOM 60 O ILE A 5 7.637 -12.215 -5.139 1.00 0.00 O ATOM 61 CB ILE A 5 5.190 -13.912 -6.574 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.293 -12.833 -7.654 1.00 0.00 C ATOM 63 CG2 ILE A 5 4.166 -13.550 -5.498 1.00 0.00 C ATOM 64 CD1 ILE A 5 4.059 -12.843 -8.557 1.00 0.00 C ATOM 0 H ILE A 5 6.915 -13.990 -3.898 1.00 0.00 H new ATOM 0 HA ILE A 5 6.980 -15.021 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 5 4.838 -14.821 -7.061 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.398 -11.854 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.188 -12.998 -8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.202 -13.350 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.065 -14.380 -4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.500 -12.662 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.157 -12.067 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.971 -13.815 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.168 -12.654 -7.958 1.00 0.00 H new ATOM 75 N SER A 6 8.238 -12.981 -7.180 1.00 0.00 N ATOM 76 CA SER A 6 9.207 -11.924 -7.415 1.00 0.00 C ATOM 77 C SER A 6 8.484 -10.604 -7.693 1.00 0.00 C ATOM 78 O SER A 6 7.324 -10.602 -8.102 1.00 0.00 O ATOM 79 CB SER A 6 10.136 -12.275 -8.578 1.00 0.00 C ATOM 80 OG SER A 6 9.767 -13.502 -9.204 1.00 0.00 O ATOM 0 H SER A 6 8.153 -13.657 -7.939 1.00 0.00 H new ATOM 0 HA SER A 6 9.818 -11.816 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.115 -11.472 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.161 -12.347 -8.214 1.00 0.00 H new ATOM 0 HG SER A 6 10.383 -13.691 -9.943 1.00 0.00 H new ATOM 85 N PRO A 7 9.219 -9.486 -7.452 1.00 0.00 N ATOM 86 CA PRO A 7 8.660 -8.162 -7.672 1.00 0.00 C ATOM 87 C PRO A 7 8.589 -7.838 -9.166 1.00 0.00 C ATOM 88 O PRO A 7 8.007 -6.828 -9.559 1.00 0.00 O ATOM 89 CB PRO A 7 9.569 -7.218 -6.902 1.00 0.00 C ATOM 90 CG PRO A 7 10.860 -7.984 -6.665 1.00 0.00 C ATOM 91 CD PRO A 7 10.595 -9.450 -6.967 1.00 0.00 C ATOM 0 HA PRO A 7 7.631 -8.076 -7.322 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.755 -6.306 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 7 9.113 -6.920 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.654 -7.600 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.193 -7.861 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.289 -9.832 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.717 -10.066 -6.076 1.00 0.00 H new ATOM 96 N HIS A 8 9.191 -8.714 -9.958 1.00 0.00 N ATOM 97 CA HIS A 8 9.204 -8.533 -11.399 1.00 0.00 C ATOM 98 C HIS A 8 7.882 -9.026 -11.991 1.00 0.00 C ATOM 99 O HIS A 8 7.288 -8.357 -12.835 1.00 0.00 O ATOM 100 CB HIS A 8 10.423 -9.218 -12.022 1.00 0.00 C ATOM 101 CG HIS A 8 10.365 -9.326 -13.527 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.312 -10.540 -14.190 1.00 0.00 N ATOM 103 CD2 HIS A 8 10.351 -8.361 -14.490 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.269 -10.304 -15.493 1.00 0.00 C ATOM 105 NE2 HIS A 8 10.294 -8.953 -15.677 1.00 0.00 N ATOM 0 H HIS A 8 9.673 -9.550 -9.629 1.00 0.00 H new ATOM 0 HA HIS A 8 9.295 -7.473 -11.634 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.320 -8.665 -11.742 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.520 -10.218 -11.600 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.381 -7.295 -14.317 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.222 -11.050 -16.272 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.272 -8.476 -16.578 1.00 0.00 H new ATOM 112 N ASP A 9 7.459 -10.190 -11.522 1.00 0.00 N ATOM 113 CA ASP A 9 6.217 -10.780 -11.994 1.00 0.00 C ATOM 114 C ASP A 9 5.039 -10.121 -11.274 1.00 0.00 C ATOM 115 O ASP A 9 3.939 -10.044 -11.818 1.00 0.00 O ATOM 116 CB ASP A 9 6.172 -12.280 -11.698 1.00 0.00 C ATOM 117 CG ASP A 9 6.421 -13.186 -12.906 1.00 0.00 C ATOM 118 OD1 ASP A 9 7.571 -13.409 -13.311 1.00 0.00 O ATOM 119 OD2 ASP A 9 5.358 -13.679 -13.445 1.00 0.00 O ATOM 0 H ASP A 9 7.953 -10.741 -10.820 1.00 0.00 H new ATOM 0 HA ASP A 9 6.157 -10.623 -13.071 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.915 -12.507 -10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.197 -12.523 -11.276 1.00 0.00 H new ATOM 124 N ALA A 10 5.310 -9.662 -10.060 1.00 0.00 N ATOM 125 CA ALA A 10 4.286 -9.012 -9.260 1.00 0.00 C ATOM 126 C ALA A 10 3.972 -7.639 -9.858 1.00 0.00 C ATOM 127 O ALA A 10 2.809 -7.252 -9.957 1.00 0.00 O ATOM 128 CB ALA A 10 4.754 -8.923 -7.806 1.00 0.00 C ATOM 0 H ALA A 10 6.224 -9.728 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 10 3.364 -9.594 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.986 -8.435 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.934 -9.926 -7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.676 -8.344 -7.755 1.00 0.00 H new ATOM 134 N GLN A 11 5.031 -6.941 -10.241 1.00 0.00 N ATOM 135 CA GLN A 11 4.883 -5.620 -10.827 1.00 0.00 C ATOM 136 C GLN A 11 3.944 -5.675 -12.034 1.00 0.00 C ATOM 137 O GLN A 11 3.433 -4.647 -12.474 1.00 0.00 O ATOM 138 CB GLN A 11 6.244 -5.038 -11.217 1.00 0.00 C ATOM 139 CG GLN A 11 6.079 -3.717 -11.973 1.00 0.00 C ATOM 140 CD GLN A 11 7.438 -3.144 -12.378 1.00 0.00 C ATOM 141 OE1 GLN A 11 8.441 -3.837 -12.433 1.00 0.00 O ATOM 142 NE2 GLN A 11 7.416 -1.844 -12.656 1.00 0.00 N ATOM 0 H GLN A 11 5.994 -7.265 -10.157 1.00 0.00 H new ATOM 0 HA GLN A 11 4.442 -4.960 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.844 -4.876 -10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.784 -5.752 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.468 -3.876 -12.862 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.550 -2.999 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.542 -1.323 -12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.274 -1.368 -12.935 1.00 0.00 H new ATOM 149 N GLU A 12 3.745 -6.886 -12.533 1.00 0.00 N ATOM 150 CA GLU A 12 2.877 -7.089 -13.680 1.00 0.00 C ATOM 151 C GLU A 12 1.433 -7.299 -13.221 1.00 0.00 C ATOM 152 O GLU A 12 0.570 -6.459 -13.472 1.00 0.00 O ATOM 153 CB GLU A 12 3.359 -8.267 -14.531 1.00 0.00 C ATOM 154 CG GLU A 12 3.516 -7.856 -15.997 1.00 0.00 C ATOM 155 CD GLU A 12 2.780 -8.827 -16.920 1.00 0.00 C ATOM 156 OE1 GLU A 12 1.583 -9.084 -16.723 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.495 -9.321 -17.874 1.00 0.00 O ATOM 0 H GLU A 12 4.170 -7.737 -12.164 1.00 0.00 H new ATOM 0 HA GLU A 12 2.914 -6.195 -14.302 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.312 -8.631 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.649 -9.090 -14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.127 -6.848 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.574 -7.830 -16.260 1.00 0.00 H new ATOM 163 N LEU A 13 1.214 -8.424 -12.557 1.00 0.00 N ATOM 164 CA LEU A 13 -0.111 -8.755 -12.062 1.00 0.00 C ATOM 165 C LEU A 13 -0.742 -7.510 -11.435 1.00 0.00 C ATOM 166 O LEU A 13 -1.892 -7.182 -11.723 1.00 0.00 O ATOM 167 CB LEU A 13 -0.044 -9.954 -11.112 1.00 0.00 C ATOM 168 CG LEU A 13 1.044 -9.898 -10.037 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.474 -9.406 -8.706 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.744 -11.251 -9.897 1.00 0.00 C ATOM 0 H LEU A 13 1.932 -9.118 -12.350 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.758 -9.063 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.010 -10.055 -10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.106 -10.855 -11.706 1.00 0.00 H new ATOM 0 HG LEU A 13 1.798 -9.176 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.268 -9.376 -7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.059 -8.407 -8.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.311 -10.085 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.513 -11.185 -9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.014 -12.011 -9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.204 -11.522 -10.847 1.00 0.00 H new ATOM 181 N ILE A 14 0.038 -6.850 -10.592 1.00 0.00 N ATOM 182 CA ILE A 14 -0.430 -5.649 -9.924 1.00 0.00 C ATOM 183 C ILE A 14 -0.945 -4.656 -10.968 1.00 0.00 C ATOM 184 O ILE A 14 -1.914 -3.939 -10.726 1.00 0.00 O ATOM 185 CB ILE A 14 0.664 -5.077 -9.019 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.246 -5.137 -7.548 1.00 0.00 C ATOM 187 CG2 ILE A 14 1.046 -3.659 -9.450 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.418 -5.565 -6.663 1.00 0.00 C ATOM 0 H ILE A 14 0.992 -7.125 -10.356 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.267 -5.882 -9.266 1.00 0.00 H new ATOM 0 HB ILE A 14 1.554 -5.697 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.117 -4.160 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.580 -5.839 -7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.825 -3.276 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.415 -3.677 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.170 -3.013 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.095 -5.600 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.763 -6.553 -6.969 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.232 -4.848 -6.766 1.00 0.00 H new ATOM 199 N ALA A 15 -0.271 -4.646 -12.110 1.00 0.00 N ATOM 200 CA ALA A 15 -0.648 -3.754 -13.193 1.00 0.00 C ATOM 201 C ALA A 15 -1.769 -4.397 -14.013 1.00 0.00 C ATOM 202 O ALA A 15 -2.139 -3.891 -15.071 1.00 0.00 O ATOM 203 CB ALA A 15 0.584 -3.432 -14.042 1.00 0.00 C ATOM 0 H ALA A 15 0.533 -5.241 -12.308 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.028 -2.812 -12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.301 -2.763 -14.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.338 -2.949 -13.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.991 -4.354 -14.457 1.00 0.00 H new ATOM 209 N ARG A 16 -2.277 -5.505 -13.493 1.00 0.00 N ATOM 210 CA ARG A 16 -3.347 -6.224 -14.163 1.00 0.00 C ATOM 211 C ARG A 16 -4.629 -6.165 -13.329 1.00 0.00 C ATOM 212 O ARG A 16 -5.721 -6.004 -13.873 1.00 0.00 O ATOM 213 CB ARG A 16 -2.966 -7.687 -14.398 1.00 0.00 C ATOM 214 CG ARG A 16 -1.722 -7.794 -15.283 1.00 0.00 C ATOM 215 CD ARG A 16 -1.526 -9.226 -15.782 1.00 0.00 C ATOM 216 NE ARG A 16 -1.779 -9.293 -17.239 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.946 -10.443 -17.926 1.00 0.00 C ATOM 218 NH1 ARG A 16 -1.887 -11.635 -17.292 1.00 0.00 N ATOM 219 NH2 ARG A 16 -2.167 -10.385 -19.226 1.00 0.00 N ATOM 0 H ARG A 16 -1.967 -5.922 -12.615 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.514 -5.745 -15.128 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.780 -8.176 -13.442 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.797 -8.212 -14.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.817 -7.119 -16.133 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.843 -7.477 -14.721 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.511 -9.560 -15.565 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.203 -9.899 -15.256 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.830 -8.415 -17.756 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.715 -11.670 -16.287 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.014 -12.499 -17.818 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.209 -9.481 -19.696 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.295 -11.244 -19.760 1.00 0.00 H new ATOM 229 N GLY A 17 -4.454 -6.299 -12.023 1.00 0.00 N ATOM 230 CA GLY A 17 -5.583 -6.263 -11.109 1.00 0.00 C ATOM 231 C GLY A 17 -5.188 -6.794 -9.729 1.00 0.00 C ATOM 232 O GLY A 17 -5.758 -6.387 -8.718 1.00 0.00 O ATOM 0 H GLY A 17 -3.547 -6.433 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.949 -5.240 -11.018 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.401 -6.860 -11.512 1.00 0.00 H new ATOM 236 N ALA A 18 -4.216 -7.695 -9.732 1.00 0.00 N ATOM 237 CA ALA A 18 -3.738 -8.285 -8.493 1.00 0.00 C ATOM 238 C ALA A 18 -3.697 -7.211 -7.404 1.00 0.00 C ATOM 239 O ALA A 18 -2.858 -6.313 -7.444 1.00 0.00 O ATOM 240 CB ALA A 18 -2.370 -8.929 -8.729 1.00 0.00 C ATOM 0 H ALA A 18 -3.747 -8.031 -10.573 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.414 -9.070 -8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.011 -9.372 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.459 -9.705 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.664 -8.170 -9.066 1.00 0.00 H new ATOM 246 N LYS A 19 -4.615 -7.340 -6.457 1.00 0.00 N ATOM 247 CA LYS A 19 -4.694 -6.391 -5.359 1.00 0.00 C ATOM 248 C LYS A 19 -3.646 -6.750 -4.304 1.00 0.00 C ATOM 249 O LYS A 19 -3.264 -7.912 -4.173 1.00 0.00 O ATOM 250 CB LYS A 19 -6.121 -6.326 -4.810 1.00 0.00 C ATOM 251 CG LYS A 19 -6.630 -4.883 -4.777 1.00 0.00 C ATOM 252 CD LYS A 19 -6.724 -4.302 -6.189 1.00 0.00 C ATOM 253 CE LYS A 19 -5.859 -3.049 -6.326 1.00 0.00 C ATOM 254 NZ LYS A 19 -6.569 -2.010 -7.105 1.00 0.00 N ATOM 0 H LYS A 19 -5.310 -8.086 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.464 -5.384 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.781 -6.934 -5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.148 -6.748 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.610 -4.850 -4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.961 -4.271 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.405 -5.049 -6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.762 -4.058 -6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.609 -2.663 -5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.919 -3.301 -6.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.899 -1.536 -7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.326 -2.452 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.982 -1.311 -6.455 1.00 0.00 H new ATOM 263 N LEU A 20 -3.208 -5.731 -3.580 1.00 0.00 N ATOM 264 CA LEU A 20 -2.210 -5.923 -2.541 1.00 0.00 C ATOM 265 C LEU A 20 -2.611 -5.124 -1.300 1.00 0.00 C ATOM 266 O LEU A 20 -3.115 -4.007 -1.412 1.00 0.00 O ATOM 267 CB LEU A 20 -0.815 -5.582 -3.068 1.00 0.00 C ATOM 268 CG LEU A 20 0.254 -5.306 -2.008 1.00 0.00 C ATOM 269 CD1 LEU A 20 0.491 -6.540 -1.135 1.00 0.00 C ATOM 270 CD2 LEU A 20 1.546 -4.802 -2.652 1.00 0.00 C ATOM 0 H LEU A 20 -3.526 -4.768 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.166 -6.971 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.473 -6.406 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.895 -4.706 -3.711 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.109 -4.514 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.255 -6.317 -0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.437 -6.814 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.824 -7.369 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.289 -4.613 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.925 -5.554 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.346 -3.878 -3.195 1.00 0.00 H new ATOM 281 N ILE A 21 -2.373 -5.727 -0.144 1.00 0.00 N ATOM 282 CA ILE A 21 -2.703 -5.084 1.117 1.00 0.00 C ATOM 283 C ILE A 21 -1.412 -4.672 1.827 1.00 0.00 C ATOM 284 O ILE A 21 -0.341 -5.196 1.529 1.00 0.00 O ATOM 285 CB ILE A 21 -3.606 -5.989 1.957 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.441 -6.910 1.067 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.478 -5.163 2.906 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.271 -6.103 0.067 1.00 0.00 C ATOM 0 H ILE A 21 -1.956 -6.653 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.276 -4.173 0.944 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.972 -6.627 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.785 -7.596 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.101 -7.518 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.111 -5.830 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.841 -4.586 3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.104 -4.484 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.855 -6.783 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.943 -5.436 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.607 -5.514 -0.566 1.00 0.00 H new ATOM 299 N ASP A 22 -1.558 -3.735 2.753 1.00 0.00 N ATOM 300 CA ASP A 22 -0.416 -3.246 3.508 1.00 0.00 C ATOM 301 C ASP A 22 -0.568 -3.655 4.975 1.00 0.00 C ATOM 302 O ASP A 22 -0.825 -2.813 5.834 1.00 0.00 O ATOM 303 CB ASP A 22 -0.331 -1.719 3.449 1.00 0.00 C ATOM 304 CG ASP A 22 -0.629 -1.107 2.079 1.00 0.00 C ATOM 305 OD1 ASP A 22 -1.682 -1.367 1.479 1.00 0.00 O ATOM 306 OD2 ASP A 22 0.287 -0.322 1.622 1.00 0.00 O ATOM 0 H ASP A 22 -2.449 -3.302 2.997 1.00 0.00 H new ATOM 0 HA ASP A 22 0.486 -3.675 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.029 -1.303 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.669 -1.414 3.757 1.00 0.00 H new ATOM 311 N ILE A 23 -0.403 -4.947 5.215 1.00 0.00 N ATOM 312 CA ILE A 23 -0.518 -5.478 6.563 1.00 0.00 C ATOM 313 C ILE A 23 0.776 -5.199 7.329 1.00 0.00 C ATOM 314 O ILE A 23 1.459 -6.126 7.760 1.00 0.00 O ATOM 315 CB ILE A 23 -0.902 -6.958 6.525 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.298 -7.827 6.143 1.00 0.00 C ATOM 317 CG2 ILE A 23 -2.097 -7.191 5.596 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.678 -8.771 7.286 1.00 0.00 C ATOM 0 H ILE A 23 -0.191 -5.642 4.499 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.322 -4.977 7.102 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.209 -7.256 7.527 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.062 -8.407 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.148 -7.191 5.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.350 -8.251 5.587 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.952 -6.617 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.841 -6.871 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.534 -9.377 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.937 -8.187 8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.165 -9.422 7.516 1.00 0.00 H new ATOM 329 N ARG A 24 1.075 -3.915 7.474 1.00 0.00 N ATOM 330 CA ARG A 24 2.275 -3.502 8.181 1.00 0.00 C ATOM 331 C ARG A 24 1.921 -2.515 9.295 1.00 0.00 C ATOM 332 O ARG A 24 1.870 -2.886 10.467 1.00 0.00 O ATOM 333 CB ARG A 24 3.276 -2.848 7.228 1.00 0.00 C ATOM 334 CG ARG A 24 2.622 -2.519 5.885 1.00 0.00 C ATOM 335 CD ARG A 24 3.525 -1.618 5.041 1.00 0.00 C ATOM 336 NE ARG A 24 2.747 -0.477 4.508 1.00 0.00 N ATOM 337 CZ ARG A 24 3.133 0.278 3.458 1.00 0.00 C ATOM 338 NH1 ARG A 24 4.294 0.020 2.819 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.359 1.273 3.066 1.00 0.00 N ATOM 0 H ARG A 24 0.507 -3.148 7.114 1.00 0.00 H new ATOM 0 HA ARG A 24 2.730 -4.393 8.613 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.669 -1.936 7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.123 -3.516 7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.413 -3.441 5.343 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.665 -2.025 6.054 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.355 -1.252 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.957 -2.189 4.219 1.00 0.00 H new ATOM 0 HE ARG A 24 1.864 -0.247 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.887 -0.750 3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.579 0.595 2.026 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.484 1.462 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.636 1.853 2.274 1.00 0.00 H new ATOM 349 N ASP A 25 1.687 -1.274 8.891 1.00 0.00 N ATOM 350 CA ASP A 25 1.340 -0.231 9.840 1.00 0.00 C ATOM 351 C ASP A 25 0.699 0.940 9.093 1.00 0.00 C ATOM 352 O ASP A 25 0.419 0.841 7.898 1.00 0.00 O ATOM 353 CB ASP A 25 2.583 0.293 10.562 1.00 0.00 C ATOM 354 CG ASP A 25 2.570 0.115 12.082 1.00 0.00 C ATOM 355 OD1 ASP A 25 3.372 -0.648 12.642 1.00 0.00 O ATOM 356 OD2 ASP A 25 1.680 0.810 12.704 1.00 0.00 O ATOM 0 H ASP A 25 1.731 -0.968 7.919 1.00 0.00 H new ATOM 0 HA ASP A 25 0.651 -0.656 10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.460 -0.214 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.696 1.353 10.336 1.00 0.00 H new ATOM 361 N ALA A 26 0.486 2.023 9.825 1.00 0.00 N ATOM 362 CA ALA A 26 -0.116 3.212 9.246 1.00 0.00 C ATOM 363 C ALA A 26 0.988 4.176 8.807 1.00 0.00 C ATOM 364 O ALA A 26 1.035 4.585 7.648 1.00 0.00 O ATOM 365 CB ALA A 26 -1.073 3.845 10.258 1.00 0.00 C ATOM 0 H ALA A 26 0.720 2.102 10.815 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.700 2.954 8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.524 4.737 9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.855 3.131 10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.522 4.119 11.158 1.00 0.00 H new ATOM 371 N ASP A 27 1.849 4.510 9.756 1.00 0.00 N ATOM 372 CA ASP A 27 2.951 5.418 9.482 1.00 0.00 C ATOM 373 C ASP A 27 3.618 5.020 8.164 1.00 0.00 C ATOM 374 O ASP A 27 4.053 5.880 7.399 1.00 0.00 O ATOM 375 CB ASP A 27 4.008 5.352 10.585 1.00 0.00 C ATOM 376 CG ASP A 27 3.584 5.959 11.924 1.00 0.00 C ATOM 377 OD1 ASP A 27 2.965 5.286 12.763 1.00 0.00 O ATOM 378 OD2 ASP A 27 3.919 7.193 12.093 1.00 0.00 O ATOM 0 H ASP A 27 1.807 4.168 10.716 1.00 0.00 H new ATOM 0 HA ASP A 27 2.548 6.430 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.279 4.309 10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.905 5.865 10.239 1.00 0.00 H new ATOM 383 N GLU A 28 3.676 3.716 7.938 1.00 0.00 N ATOM 384 CA GLU A 28 4.283 3.193 6.725 1.00 0.00 C ATOM 385 C GLU A 28 3.640 3.832 5.492 1.00 0.00 C ATOM 386 O GLU A 28 4.296 4.569 4.756 1.00 0.00 O ATOM 387 CB GLU A 28 4.175 1.668 6.671 1.00 0.00 C ATOM 388 CG GLU A 28 4.648 1.039 7.983 1.00 0.00 C ATOM 389 CD GLU A 28 5.896 1.746 8.512 1.00 0.00 C ATOM 390 OE1 GLU A 28 6.840 1.995 7.747 1.00 0.00 O ATOM 391 OE2 GLU A 28 5.866 2.040 9.768 1.00 0.00 O ATOM 0 H GLU A 28 3.313 3.006 8.574 1.00 0.00 H new ATOM 0 HA GLU A 28 5.342 3.449 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.142 1.380 6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.774 1.286 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.852 1.096 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.863 -0.018 7.827 1.00 0.00 H new ATOM 397 N TYR A 29 2.364 3.525 5.303 1.00 0.00 N ATOM 398 CA TYR A 29 1.626 4.060 4.171 1.00 0.00 C ATOM 399 C TYR A 29 1.952 5.539 3.954 1.00 0.00 C ATOM 400 O TYR A 29 2.012 6.004 2.817 1.00 0.00 O ATOM 401 CB TYR A 29 0.146 3.923 4.533 1.00 0.00 C ATOM 402 CG TYR A 29 -0.809 4.315 3.403 1.00 0.00 C ATOM 403 CD1 TYR A 29 -1.040 3.442 2.360 1.00 0.00 C ATOM 404 CD2 TYR A 29 -1.438 5.543 3.426 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.938 3.810 1.297 1.00 0.00 C ATOM 406 CE2 TYR A 29 -2.337 5.912 2.363 1.00 0.00 C ATOM 407 CZ TYR A 29 -2.542 5.027 1.351 1.00 0.00 C ATOM 408 OH TYR A 29 -3.390 5.375 0.346 1.00 0.00 O ATOM 0 H TYR A 29 1.823 2.913 5.914 1.00 0.00 H new ATOM 0 HA TYR A 29 1.884 3.527 3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.053 2.891 4.822 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.064 4.544 5.404 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.547 2.482 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.256 6.228 4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.128 3.135 0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.837 6.869 2.369 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.749 6.271 0.517 1.00 0.00 H new ATOM 417 N LEU A 30 2.154 6.236 5.062 1.00 0.00 N ATOM 418 CA LEU A 30 2.472 7.653 5.006 1.00 0.00 C ATOM 419 C LEU A 30 3.813 7.843 4.295 1.00 0.00 C ATOM 420 O LEU A 30 3.851 8.200 3.119 1.00 0.00 O ATOM 421 CB LEU A 30 2.426 8.268 6.407 1.00 0.00 C ATOM 422 CG LEU A 30 2.255 9.787 6.467 1.00 0.00 C ATOM 423 CD1 LEU A 30 1.726 10.225 7.834 1.00 0.00 C ATOM 424 CD2 LEU A 30 3.558 10.501 6.102 1.00 0.00 C ATOM 0 H LEU A 30 2.104 5.847 6.003 1.00 0.00 H new ATOM 0 HA LEU A 30 1.723 8.189 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.605 7.808 6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.347 8.005 6.928 1.00 0.00 H new ATOM 0 HG LEU A 30 1.511 10.076 5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.613 11.309 7.850 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.759 9.757 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.428 9.922 8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.408 11.580 6.153 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.341 10.210 6.802 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.854 10.223 5.091 1.00 0.00 H new ATOM 435 N ARG A 31 4.881 7.595 5.039 1.00 0.00 N ATOM 436 CA ARG A 31 6.221 7.733 4.493 1.00 0.00 C ATOM 437 C ARG A 31 6.297 7.097 3.104 1.00 0.00 C ATOM 438 O ARG A 31 6.333 7.803 2.096 1.00 0.00 O ATOM 439 CB ARG A 31 7.258 7.075 5.406 1.00 0.00 C ATOM 440 CG ARG A 31 7.585 7.972 6.601 1.00 0.00 C ATOM 441 CD ARG A 31 9.095 8.171 6.741 1.00 0.00 C ATOM 442 NE ARG A 31 9.424 8.597 8.119 1.00 0.00 N ATOM 443 CZ ARG A 31 10.669 8.575 8.641 1.00 0.00 C ATOM 444 NH1 ARG A 31 11.715 8.147 7.902 1.00 0.00 N ATOM 445 NH2 ARG A 31 10.849 8.980 9.885 1.00 0.00 N ATOM 0 H ARG A 31 4.846 7.300 6.015 1.00 0.00 H new ATOM 0 HA ARG A 31 6.441 8.798 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.880 6.116 5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.167 6.870 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.097 8.939 6.478 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.187 7.528 7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.616 7.243 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.439 8.920 6.028 1.00 0.00 H new ATOM 0 HE ARG A 31 8.663 8.928 8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.568 7.837 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.652 8.134 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.054 9.303 10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.783 8.970 10.295 1.00 0.00 H new ATOM 455 N GLU A 32 6.322 5.773 3.095 1.00 0.00 N ATOM 456 CA GLU A 32 6.392 5.035 1.845 1.00 0.00 C ATOM 457 C GLU A 32 5.050 4.363 1.548 1.00 0.00 C ATOM 458 O GLU A 32 4.147 4.376 2.384 1.00 0.00 O ATOM 459 CB GLU A 32 7.524 4.005 1.881 1.00 0.00 C ATOM 460 CG GLU A 32 8.890 4.693 1.904 1.00 0.00 C ATOM 461 CD GLU A 32 9.656 4.352 3.184 1.00 0.00 C ATOM 462 OE1 GLU A 32 9.444 3.276 3.765 1.00 0.00 O ATOM 463 OE2 GLU A 32 10.495 5.250 3.574 1.00 0.00 O ATOM 0 H GLU A 32 6.295 5.192 3.933 1.00 0.00 H new ATOM 0 HA GLU A 32 6.609 5.739 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.417 3.372 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.456 3.353 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.471 4.384 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.758 5.773 1.832 1.00 0.00 H new ATOM 469 N HIS A 33 4.961 3.793 0.356 1.00 0.00 N ATOM 470 CA HIS A 33 3.744 3.118 -0.062 1.00 0.00 C ATOM 471 C HIS A 33 4.084 1.714 -0.566 1.00 0.00 C ATOM 472 O HIS A 33 4.619 0.895 0.180 1.00 0.00 O ATOM 473 CB HIS A 33 2.989 3.953 -1.097 1.00 0.00 C ATOM 474 CG HIS A 33 1.613 3.424 -1.428 1.00 0.00 C ATOM 475 ND1 HIS A 33 0.711 3.814 -2.373 1.00 0.00 N flip ATOM 476 CD2 HIS A 33 1.031 2.370 -0.744 1.00 0.00 C flip ATOM 477 CE1 HIS A 33 -0.363 3.040 -2.273 1.00 0.00 C flip ATOM 478 NE2 HIS A 33 -0.167 2.144 -1.264 1.00 0.00 N flip ATOM 0 H HIS A 33 5.712 3.784 -0.334 1.00 0.00 H new ATOM 0 HA HIS A 33 3.073 3.008 0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.895 4.974 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.579 3.999 -2.012 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.840 4.572 -3.043 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.477 1.825 0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.247 3.109 -2.890 1.00 0.00 H new ATOM 485 N ILE A 34 3.759 1.478 -1.829 1.00 0.00 N ATOM 486 CA ILE A 34 4.023 0.187 -2.442 1.00 0.00 C ATOM 487 C ILE A 34 3.418 0.162 -3.847 1.00 0.00 C ATOM 488 O ILE A 34 2.649 1.049 -4.213 1.00 0.00 O ATOM 489 CB ILE A 34 3.527 -0.945 -1.539 1.00 0.00 C ATOM 490 CG1 ILE A 34 4.662 -1.916 -1.208 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.326 -1.658 -2.162 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.136 -3.347 -1.072 1.00 0.00 C ATOM 0 H ILE A 34 3.315 2.159 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 34 5.096 0.029 -2.553 1.00 0.00 H new ATOM 0 HB ILE A 34 3.189 -0.510 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.420 -1.876 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.146 -1.613 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.994 -2.458 -1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.514 -0.945 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.613 -2.080 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.962 -4.018 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.396 -3.388 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.674 -3.656 -2.010 1.00 0.00 H new ATOM 503 N PRO A 35 3.799 -0.892 -4.617 1.00 0.00 N ATOM 504 CA PRO A 35 3.304 -1.045 -5.975 1.00 0.00 C ATOM 505 C PRO A 35 1.851 -1.524 -5.977 1.00 0.00 C ATOM 506 O PRO A 35 1.586 -2.714 -6.144 1.00 0.00 O ATOM 507 CB PRO A 35 4.256 -2.031 -6.633 1.00 0.00 C ATOM 508 CG PRO A 35 4.967 -2.745 -5.495 1.00 0.00 C ATOM 509 CD PRO A 35 4.709 -1.962 -4.218 1.00 0.00 C ATOM 0 HA PRO A 35 3.285 -0.104 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.714 -2.739 -7.260 1.00 0.00 H new ATOM 0 HB3 PRO A 35 4.969 -1.516 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.600 -3.767 -5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.037 -2.809 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.264 -2.594 -3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.635 -1.561 -3.805 1.00 0.00 H new ATOM 514 N GLU A 36 0.947 -0.574 -5.790 1.00 0.00 N ATOM 515 CA GLU A 36 -0.473 -0.884 -5.768 1.00 0.00 C ATOM 516 C GLU A 36 -0.845 -1.573 -4.454 1.00 0.00 C ATOM 517 O GLU A 36 -0.620 -2.772 -4.293 1.00 0.00 O ATOM 518 CB GLU A 36 -0.864 -1.746 -6.970 1.00 0.00 C ATOM 519 CG GLU A 36 -1.824 -0.995 -7.895 1.00 0.00 C ATOM 520 CD GLU A 36 -2.968 -1.904 -8.351 1.00 0.00 C ATOM 521 OE1 GLU A 36 -4.046 -1.409 -8.712 1.00 0.00 O ATOM 522 OE2 GLU A 36 -2.705 -3.166 -8.324 1.00 0.00 O ATOM 0 H GLU A 36 1.170 0.412 -5.652 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.031 0.050 -5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.031 -2.032 -7.523 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.333 -2.667 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.229 -0.126 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.281 -0.623 -8.764 1.00 0.00 H new ATOM 528 N ALA A 37 -1.408 -0.786 -3.549 1.00 0.00 N ATOM 529 CA ALA A 37 -1.813 -1.306 -2.254 1.00 0.00 C ATOM 530 C ALA A 37 -2.661 -0.258 -1.531 1.00 0.00 C ATOM 531 O ALA A 37 -2.746 0.889 -1.971 1.00 0.00 O ATOM 532 CB ALA A 37 -0.574 -1.707 -1.454 1.00 0.00 C ATOM 0 H ALA A 37 -1.593 0.208 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.426 -2.200 -2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.879 -2.097 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.023 -2.475 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.065 -0.835 -1.311 1.00 0.00 H new ATOM 538 N ASP A 38 -3.267 -0.686 -0.434 1.00 0.00 N ATOM 539 CA ASP A 38 -4.105 0.202 0.355 1.00 0.00 C ATOM 540 C ASP A 38 -3.849 -0.050 1.841 1.00 0.00 C ATOM 541 O ASP A 38 -3.991 -1.175 2.317 1.00 0.00 O ATOM 542 CB ASP A 38 -5.588 -0.053 0.079 1.00 0.00 C ATOM 543 CG ASP A 38 -6.409 1.197 -0.245 1.00 0.00 C ATOM 544 OD1 ASP A 38 -6.476 1.633 -1.405 1.00 0.00 O ATOM 545 OD2 ASP A 38 -7.005 1.735 0.764 1.00 0.00 O ATOM 0 H ASP A 38 -3.195 -1.637 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.859 1.229 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.672 -0.751 -0.754 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.026 -0.541 0.950 1.00 0.00 H new ATOM 550 N LEU A 39 -3.478 1.016 2.534 1.00 0.00 N ATOM 551 CA LEU A 39 -3.201 0.925 3.958 1.00 0.00 C ATOM 552 C LEU A 39 -4.177 -0.063 4.600 1.00 0.00 C ATOM 553 O LEU A 39 -5.385 0.019 4.378 1.00 0.00 O ATOM 554 CB LEU A 39 -3.222 2.314 4.598 1.00 0.00 C ATOM 555 CG LEU A 39 -2.571 2.426 5.978 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.173 3.873 6.280 1.00 0.00 C ATOM 557 CD2 LEU A 39 -3.480 1.843 7.062 1.00 0.00 C ATOM 0 H LEU A 39 -3.363 1.948 2.136 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.196 0.537 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.722 3.010 3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.259 2.639 4.680 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.656 1.834 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.713 3.925 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.463 4.219 5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.060 4.506 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.994 1.935 8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.424 2.387 7.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.670 0.791 6.850 1.00 0.00 H new ATOM 568 N ALA A 40 -3.618 -0.974 5.384 1.00 0.00 N ATOM 569 CA ALA A 40 -4.424 -1.975 6.060 1.00 0.00 C ATOM 570 C ALA A 40 -3.510 -2.900 6.866 1.00 0.00 C ATOM 571 O ALA A 40 -3.218 -4.017 6.441 1.00 0.00 O ATOM 572 CB ALA A 40 -5.262 -2.736 5.030 1.00 0.00 C ATOM 0 H ALA A 40 -2.616 -1.039 5.566 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.115 -1.504 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.867 -3.488 5.537 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.915 -2.038 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.602 -3.225 4.313 1.00 0.00 H new ATOM 578 N PRO A 41 -3.072 -2.387 8.047 1.00 0.00 N ATOM 579 CA PRO A 41 -2.197 -3.154 8.918 1.00 0.00 C ATOM 580 C PRO A 41 -2.974 -4.256 9.643 1.00 0.00 C ATOM 581 O PRO A 41 -4.179 -4.133 9.858 1.00 0.00 O ATOM 582 CB PRO A 41 -1.590 -2.133 9.865 1.00 0.00 C ATOM 583 CG PRO A 41 -2.494 -0.912 9.796 1.00 0.00 C ATOM 584 CD PRO A 41 -3.397 -1.070 8.584 1.00 0.00 C ATOM 0 HA PRO A 41 -1.416 -3.682 8.371 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.539 -2.524 10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.571 -1.882 9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.088 -0.825 10.706 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.900 -0.001 9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.449 -1.005 8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.213 -0.287 7.849 1.00 0.00 H new ATOM 589 N LEU A 42 -2.251 -5.307 10.002 1.00 0.00 N ATOM 590 CA LEU A 42 -2.857 -6.428 10.699 1.00 0.00 C ATOM 591 C LEU A 42 -3.833 -5.902 11.752 1.00 0.00 C ATOM 592 O LEU A 42 -5.003 -6.282 11.765 1.00 0.00 O ATOM 593 CB LEU A 42 -1.778 -7.352 11.268 1.00 0.00 C ATOM 594 CG LEU A 42 -2.067 -8.852 11.187 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.639 -9.228 9.818 1.00 0.00 C ATOM 596 CD2 LEU A 42 -0.821 -9.671 11.533 1.00 0.00 C ATOM 0 H LEU A 42 -1.252 -5.405 9.823 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.435 -7.039 10.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.844 -7.153 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.617 -7.089 12.314 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.827 -9.093 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.835 -10.300 9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.568 -8.684 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.921 -8.968 9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.054 -10.734 11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.022 -9.431 10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.498 -9.432 12.546 1.00 0.00 H new ATOM 607 N SER A 43 -3.317 -5.034 12.610 1.00 0.00 N ATOM 608 CA SER A 43 -4.129 -4.451 13.665 1.00 0.00 C ATOM 609 C SER A 43 -5.535 -4.153 13.139 1.00 0.00 C ATOM 610 O SER A 43 -6.504 -4.185 13.895 1.00 0.00 O ATOM 611 CB SER A 43 -3.486 -3.176 14.214 1.00 0.00 C ATOM 612 OG SER A 43 -2.328 -3.456 14.996 1.00 0.00 O ATOM 0 H SER A 43 -2.347 -4.720 12.596 1.00 0.00 H new ATOM 0 HA SER A 43 -4.198 -5.171 14.481 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.215 -2.521 13.386 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.212 -2.637 14.822 1.00 0.00 H new ATOM 0 HG SER A 43 -1.946 -2.616 15.327 1.00 0.00 H new ATOM 617 N VAL A 44 -5.600 -3.869 11.847 1.00 0.00 N ATOM 618 CA VAL A 44 -6.870 -3.565 11.210 1.00 0.00 C ATOM 619 C VAL A 44 -7.515 -4.863 10.721 1.00 0.00 C ATOM 620 O VAL A 44 -8.680 -5.130 11.009 1.00 0.00 O ATOM 621 CB VAL A 44 -6.664 -2.541 10.093 1.00 0.00 C ATOM 622 CG1 VAL A 44 -7.991 -2.202 9.409 1.00 0.00 C ATOM 623 CG2 VAL A 44 -5.983 -1.279 10.624 1.00 0.00 C ATOM 0 H VAL A 44 -4.793 -3.843 11.223 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.556 -3.111 11.925 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.006 -2.987 9.347 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.817 -1.472 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.420 -3.107 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.682 -1.786 10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.849 -0.568 9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.603 -0.830 11.399 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.011 -1.539 11.043 1.00 0.00 H new ATOM 633 N LEU A 45 -6.727 -5.638 9.988 1.00 0.00 N ATOM 634 CA LEU A 45 -7.206 -6.902 9.456 1.00 0.00 C ATOM 635 C LEU A 45 -7.987 -7.644 10.542 1.00 0.00 C ATOM 636 O LEU A 45 -9.070 -8.168 10.284 1.00 0.00 O ATOM 637 CB LEU A 45 -6.046 -7.711 8.872 1.00 0.00 C ATOM 638 CG LEU A 45 -5.475 -7.202 7.546 1.00 0.00 C ATOM 639 CD1 LEU A 45 -6.095 -7.946 6.361 1.00 0.00 C ATOM 640 CD2 LEU A 45 -5.642 -5.687 7.423 1.00 0.00 C ATOM 0 H LEU A 45 -5.761 -5.414 9.751 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.894 -6.731 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.241 -7.736 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.381 -8.739 8.730 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.405 -7.410 7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.672 -7.565 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.881 -9.011 6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.174 -7.792 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.228 -5.351 6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.701 -5.433 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.116 -5.195 8.241 1.00 0.00 H new ATOM 651 N GLU A 46 -7.408 -7.666 11.733 1.00 0.00 N ATOM 652 CA GLU A 46 -8.037 -8.336 12.859 1.00 0.00 C ATOM 653 C GLU A 46 -9.285 -7.569 13.303 1.00 0.00 C ATOM 654 O GLU A 46 -10.259 -8.169 13.753 1.00 0.00 O ATOM 655 CB GLU A 46 -7.053 -8.501 14.019 1.00 0.00 C ATOM 656 CG GLU A 46 -6.446 -9.904 14.027 1.00 0.00 C ATOM 657 CD GLU A 46 -6.660 -10.586 15.381 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.805 -10.712 15.837 1.00 0.00 O ATOM 659 OE2 GLU A 46 -5.582 -10.993 15.962 1.00 0.00 O ATOM 0 H GLU A 46 -6.510 -7.231 11.943 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.341 -9.333 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.260 -7.758 13.936 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.565 -8.317 14.964 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.898 -10.504 13.238 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.379 -9.844 13.810 1.00 0.00 H new ATOM 665 N GLN A 47 -9.213 -6.253 13.162 1.00 0.00 N ATOM 666 CA GLN A 47 -10.324 -5.398 13.543 1.00 0.00 C ATOM 667 C GLN A 47 -11.455 -5.509 12.518 1.00 0.00 C ATOM 668 O GLN A 47 -12.630 -5.448 12.876 1.00 0.00 O ATOM 669 CB GLN A 47 -9.870 -3.946 13.704 1.00 0.00 C ATOM 670 CG GLN A 47 -10.539 -3.292 14.914 1.00 0.00 C ATOM 671 CD GLN A 47 -10.970 -1.860 14.594 1.00 0.00 C ATOM 672 OE1 GLN A 47 -10.316 -1.136 13.862 1.00 0.00 O ATOM 673 NE2 GLN A 47 -12.105 -1.492 15.182 1.00 0.00 N ATOM 0 H GLN A 47 -8.402 -5.759 12.789 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.701 -5.735 14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.787 -3.911 13.820 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.112 -3.384 12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.407 -3.878 15.215 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.849 -3.288 15.758 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -12.604 -2.148 15.784 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.477 -0.554 15.031 1.00 0.00 H new ATOM 680 N SER A 48 -11.060 -5.669 11.263 1.00 0.00 N ATOM 681 CA SER A 48 -12.025 -5.788 10.185 1.00 0.00 C ATOM 682 C SER A 48 -11.680 -6.991 9.304 1.00 0.00 C ATOM 683 O SER A 48 -12.467 -7.930 9.194 1.00 0.00 O ATOM 684 CB SER A 48 -12.072 -4.511 9.343 1.00 0.00 C ATOM 685 OG SER A 48 -13.157 -4.519 8.420 1.00 0.00 O ATOM 0 H SER A 48 -10.084 -5.719 10.970 1.00 0.00 H new ATOM 0 HA SER A 48 -13.011 -5.938 10.625 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.162 -3.646 10.001 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.134 -4.401 8.799 1.00 0.00 H new ATOM 0 HG SER A 48 -13.153 -3.686 7.903 1.00 0.00 H new ATOM 690 N GLY A 49 -10.502 -6.923 8.699 1.00 0.00 N ATOM 691 CA GLY A 49 -10.043 -7.994 7.833 1.00 0.00 C ATOM 692 C GLY A 49 -10.193 -7.610 6.360 1.00 0.00 C ATOM 693 O GLY A 49 -10.670 -6.521 6.044 1.00 0.00 O ATOM 0 H GLY A 49 -9.852 -6.142 8.792 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.999 -8.219 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.613 -8.900 8.036 1.00 0.00 H new ATOM 697 N LEU A 50 -9.776 -8.525 5.497 1.00 0.00 N ATOM 698 CA LEU A 50 -9.857 -8.295 4.064 1.00 0.00 C ATOM 699 C LEU A 50 -11.150 -7.541 3.745 1.00 0.00 C ATOM 700 O LEU A 50 -12.245 -8.061 3.959 1.00 0.00 O ATOM 701 CB LEU A 50 -9.709 -9.613 3.301 1.00 0.00 C ATOM 702 CG LEU A 50 -10.385 -9.673 1.930 1.00 0.00 C ATOM 703 CD1 LEU A 50 -11.906 -9.763 2.070 1.00 0.00 C ATOM 704 CD2 LEU A 50 -9.959 -8.491 1.056 1.00 0.00 C ATOM 0 H LEU A 50 -9.381 -9.427 5.762 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.031 -7.666 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.646 -9.816 3.169 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.113 -10.415 3.919 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.054 -10.582 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.361 -9.804 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.167 -10.663 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.275 -8.886 2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.454 -8.558 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.241 -7.558 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.879 -8.514 0.914 1.00 0.00 H new ATOM 715 N PRO A 51 -10.976 -6.297 3.226 1.00 0.00 N ATOM 716 CA PRO A 51 -12.116 -5.466 2.876 1.00 0.00 C ATOM 717 C PRO A 51 -12.771 -5.952 1.582 1.00 0.00 C ATOM 718 O PRO A 51 -12.233 -6.820 0.897 1.00 0.00 O ATOM 719 CB PRO A 51 -11.557 -4.057 2.766 1.00 0.00 C ATOM 720 CG PRO A 51 -10.054 -4.216 2.600 1.00 0.00 C ATOM 721 CD PRO A 51 -9.695 -5.649 2.960 1.00 0.00 C ATOM 0 HA PRO A 51 -12.911 -5.507 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.990 -3.530 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.792 -3.473 3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.757 -3.994 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.522 -3.516 3.244 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.164 -6.141 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.044 -5.687 3.833 1.00 0.00 H new ATOM 726 N ALA A 52 -13.924 -5.371 1.286 1.00 0.00 N ATOM 727 CA ALA A 52 -14.659 -5.733 0.085 1.00 0.00 C ATOM 728 C ALA A 52 -14.098 -4.954 -1.105 1.00 0.00 C ATOM 729 O ALA A 52 -14.556 -5.125 -2.235 1.00 0.00 O ATOM 730 CB ALA A 52 -16.151 -5.474 0.302 1.00 0.00 C ATOM 0 H ALA A 52 -14.368 -4.652 1.857 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.541 -6.795 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.702 -5.745 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.506 -6.074 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.309 -4.418 0.520 1.00 0.00 H new ATOM 736 N LYS A 53 -13.116 -4.115 -0.813 1.00 0.00 N ATOM 737 CA LYS A 53 -12.488 -3.308 -1.846 1.00 0.00 C ATOM 738 C LYS A 53 -11.268 -4.052 -2.396 1.00 0.00 C ATOM 739 O LYS A 53 -10.932 -3.916 -3.572 1.00 0.00 O ATOM 740 CB LYS A 53 -12.167 -1.911 -1.314 1.00 0.00 C ATOM 741 CG LYS A 53 -10.936 -1.939 -0.405 1.00 0.00 C ATOM 742 CD LYS A 53 -10.255 -0.569 -0.361 1.00 0.00 C ATOM 743 CE LYS A 53 -8.991 -0.557 -1.222 1.00 0.00 C ATOM 744 NZ LYS A 53 -8.781 0.782 -1.815 1.00 0.00 N ATOM 0 H LYS A 53 -12.739 -3.976 0.125 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.173 -3.156 -2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.992 -1.232 -2.148 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.023 -1.523 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.230 -2.235 0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.231 -2.688 -0.765 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.947 0.196 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.000 -0.319 0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.128 -0.832 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.075 -1.302 -2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.779 0.895 -2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.370 0.881 -2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.046 1.513 -1.124 1.00 0.00 H new ATOM 753 N LEU A 54 -10.639 -4.822 -1.520 1.00 0.00 N ATOM 754 CA LEU A 54 -9.465 -5.586 -1.904 1.00 0.00 C ATOM 755 C LEU A 54 -9.809 -7.077 -1.902 1.00 0.00 C ATOM 756 O LEU A 54 -8.999 -7.904 -1.485 1.00 0.00 O ATOM 757 CB LEU A 54 -8.276 -5.228 -1.010 1.00 0.00 C ATOM 758 CG LEU A 54 -7.793 -3.778 -1.084 1.00 0.00 C ATOM 759 CD1 LEU A 54 -7.737 -3.146 0.308 1.00 0.00 C ATOM 760 CD2 LEU A 54 -6.450 -3.684 -1.812 1.00 0.00 C ATOM 0 H LEU A 54 -10.920 -4.933 -0.546 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.159 -5.330 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.545 -5.448 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.443 -5.881 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.516 -3.207 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.391 -2.116 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.731 -3.160 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.049 -3.711 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.129 -2.643 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.705 -4.274 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.558 -4.068 -2.826 1.00 0.00 H new ATOM 771 N ARG A 55 -11.011 -7.375 -2.371 1.00 0.00 N ATOM 772 CA ARG A 55 -11.472 -8.751 -2.428 1.00 0.00 C ATOM 773 C ARG A 55 -11.236 -9.333 -3.824 1.00 0.00 C ATOM 774 O ARG A 55 -11.708 -10.425 -4.133 1.00 0.00 O ATOM 775 CB ARG A 55 -12.961 -8.848 -2.089 1.00 0.00 C ATOM 776 CG ARG A 55 -13.813 -8.158 -3.157 1.00 0.00 C ATOM 777 CD ARG A 55 -15.163 -8.860 -3.319 1.00 0.00 C ATOM 778 NE ARG A 55 -15.514 -8.953 -4.753 1.00 0.00 N ATOM 779 CZ ARG A 55 -16.166 -7.988 -5.437 1.00 0.00 C ATOM 780 NH1 ARG A 55 -16.541 -6.848 -4.823 1.00 0.00 N ATOM 781 NH2 ARG A 55 -16.430 -8.179 -6.717 1.00 0.00 N ATOM 0 H ARG A 55 -11.680 -6.686 -2.715 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.905 -9.321 -1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.252 -9.895 -2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.147 -8.389 -1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.972 -7.115 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.281 -8.160 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.119 -9.857 -2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.935 -8.310 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.247 -9.799 -5.257 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.333 -6.709 -3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.033 -6.124 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.142 -9.045 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.922 -7.461 -7.249 1.00 0.00 H new ATOM 791 N HIS A 56 -10.504 -8.576 -4.629 1.00 0.00 N ATOM 792 CA HIS A 56 -10.198 -9.003 -5.984 1.00 0.00 C ATOM 793 C HIS A 56 -9.938 -10.511 -6.000 1.00 0.00 C ATOM 794 O HIS A 56 -9.412 -11.064 -5.036 1.00 0.00 O ATOM 795 CB HIS A 56 -9.035 -8.193 -6.559 1.00 0.00 C ATOM 796 CG HIS A 56 -8.678 -8.557 -7.980 1.00 0.00 C ATOM 797 ND1 HIS A 56 -7.559 -9.304 -8.305 1.00 0.00 N ATOM 798 CD2 HIS A 56 -9.302 -8.269 -9.159 1.00 0.00 C ATOM 799 CE1 HIS A 56 -7.522 -9.453 -9.620 1.00 0.00 C ATOM 800 NE2 HIS A 56 -8.602 -8.810 -10.148 1.00 0.00 N ATOM 0 H HIS A 56 -10.114 -7.670 -4.369 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.053 -8.811 -6.632 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.288 -7.134 -6.519 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.159 -8.336 -5.927 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -6.878 -9.677 -7.643 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.212 -7.697 -9.269 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.768 -9.990 -10.177 1.00 0.00 H new ATOM 807 N GLU A 57 -10.317 -11.132 -7.108 1.00 0.00 N ATOM 808 CA GLU A 57 -10.130 -12.564 -7.263 1.00 0.00 C ATOM 809 C GLU A 57 -8.797 -12.996 -6.648 1.00 0.00 C ATOM 810 O GLU A 57 -8.738 -13.983 -5.916 1.00 0.00 O ATOM 811 CB GLU A 57 -10.212 -12.972 -8.735 1.00 0.00 C ATOM 812 CG GLU A 57 -11.329 -13.992 -8.961 1.00 0.00 C ATOM 813 CD GLU A 57 -11.470 -14.331 -10.446 1.00 0.00 C ATOM 814 OE1 GLU A 57 -11.653 -13.427 -11.274 1.00 0.00 O ATOM 815 OE2 GLU A 57 -11.381 -15.587 -10.729 1.00 0.00 O ATOM 0 H GLU A 57 -10.752 -10.669 -7.906 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.934 -13.074 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.390 -12.090 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.259 -13.395 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.117 -14.900 -8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.271 -13.594 -8.584 1.00 0.00 H new ATOM 821 N GLN A 58 -7.761 -12.235 -6.966 1.00 0.00 N ATOM 822 CA GLN A 58 -6.433 -12.526 -6.454 1.00 0.00 C ATOM 823 C GLN A 58 -5.819 -11.273 -5.825 1.00 0.00 C ATOM 824 O GLN A 58 -5.751 -10.224 -6.464 1.00 0.00 O ATOM 825 CB GLN A 58 -5.530 -13.084 -7.555 1.00 0.00 C ATOM 826 CG GLN A 58 -5.651 -14.607 -7.643 1.00 0.00 C ATOM 827 CD GLN A 58 -5.530 -15.085 -9.092 1.00 0.00 C ATOM 828 OE1 GLN A 58 -5.659 -14.323 -10.036 1.00 0.00 O ATOM 829 NE2 GLN A 58 -5.276 -16.385 -9.214 1.00 0.00 N ATOM 0 H GLN A 58 -7.814 -11.417 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.523 -13.290 -5.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.800 -12.638 -8.512 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.494 -12.809 -7.356 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.874 -15.073 -7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.609 -14.924 -7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.180 -16.966 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.177 -16.801 -10.140 1.00 0.00 H new ATOM 836 N ILE A 59 -5.390 -11.423 -4.581 1.00 0.00 N ATOM 837 CA ILE A 59 -4.784 -10.317 -3.860 1.00 0.00 C ATOM 838 C ILE A 59 -3.356 -10.693 -3.462 1.00 0.00 C ATOM 839 O ILE A 59 -2.860 -11.753 -3.842 1.00 0.00 O ATOM 840 CB ILE A 59 -5.663 -9.902 -2.678 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.245 -10.635 -1.401 1.00 0.00 C ATOM 842 CG2 ILE A 59 -7.145 -10.109 -2.998 1.00 0.00 C ATOM 843 CD1 ILE A 59 -5.606 -9.818 -0.158 1.00 0.00 C ATOM 0 H ILE A 59 -5.450 -12.294 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.715 -9.438 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.517 -8.836 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.737 -11.607 -1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.171 -10.822 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.748 -9.807 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.418 -9.507 -3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.327 -11.161 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.299 -10.361 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.094 -8.857 -0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.683 -9.654 -0.131 1.00 0.00 H new ATOM 854 N ILE A 60 -2.733 -9.805 -2.701 1.00 0.00 N ATOM 855 CA ILE A 60 -1.372 -10.030 -2.247 1.00 0.00 C ATOM 856 C ILE A 60 -1.194 -9.415 -0.858 1.00 0.00 C ATOM 857 O ILE A 60 -2.035 -8.640 -0.405 1.00 0.00 O ATOM 858 CB ILE A 60 -0.370 -9.515 -3.282 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.609 -10.163 -4.647 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.068 -9.712 -2.798 1.00 0.00 C ATOM 861 CD1 ILE A 60 0.296 -9.543 -5.714 1.00 0.00 C ATOM 0 H ILE A 60 -3.147 -8.927 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.174 -11.097 -2.150 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.525 -8.443 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.420 -11.235 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.653 -10.040 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.760 -9.338 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.216 -9.166 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.253 -10.773 -2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.106 -10.021 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.088 -8.476 -5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.340 -9.689 -5.436 1.00 0.00 H new ATOM 872 N PHE A 61 -0.092 -9.783 -0.219 1.00 0.00 N ATOM 873 CA PHE A 61 0.208 -9.277 1.108 1.00 0.00 C ATOM 874 C PHE A 61 1.667 -8.828 1.208 1.00 0.00 C ATOM 875 O PHE A 61 2.522 -9.318 0.473 1.00 0.00 O ATOM 876 CB PHE A 61 -0.027 -10.428 2.090 1.00 0.00 C ATOM 877 CG PHE A 61 -1.439 -10.464 2.679 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.510 -10.674 1.867 1.00 0.00 C ATOM 879 CD2 PHE A 61 -1.623 -10.286 4.015 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.819 -10.707 2.413 1.00 0.00 C ATOM 881 CE2 PHE A 61 -2.933 -10.321 4.562 1.00 0.00 C ATOM 882 CZ PHE A 61 -4.004 -10.529 3.749 1.00 0.00 C ATOM 0 H PHE A 61 0.604 -10.426 -0.597 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.424 -8.417 1.329 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.168 -11.372 1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.694 -10.350 2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.364 -10.816 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.773 -10.118 4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.669 -10.873 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.079 -10.183 5.623 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.001 -10.553 4.164 1.00 0.00 H new ATOM 891 N HIS A 62 1.906 -7.901 2.124 1.00 0.00 N ATOM 892 CA HIS A 62 3.248 -7.381 2.329 1.00 0.00 C ATOM 893 C HIS A 62 3.321 -6.669 3.682 1.00 0.00 C ATOM 894 O HIS A 62 2.294 -6.316 4.258 1.00 0.00 O ATOM 895 CB HIS A 62 3.666 -6.483 1.163 1.00 0.00 C ATOM 896 CG HIS A 62 3.677 -5.009 1.496 1.00 0.00 C ATOM 897 ND1 HIS A 62 2.545 -4.217 1.422 1.00 0.00 N ATOM 898 CD2 HIS A 62 4.692 -4.196 1.906 1.00 0.00 C ATOM 899 CE1 HIS A 62 2.876 -2.982 1.773 1.00 0.00 C ATOM 900 NE2 HIS A 62 4.207 -2.971 2.072 1.00 0.00 N ATOM 0 H HIS A 62 1.194 -7.497 2.732 1.00 0.00 H new ATOM 0 HA HIS A 62 3.962 -8.204 2.352 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.661 -6.777 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.987 -6.651 0.327 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.615 -4.530 1.145 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.716 -4.497 2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.209 -2.134 1.815 1.00 0.00 H new ATOM 907 N CYS A 63 4.546 -6.481 4.150 1.00 0.00 N ATOM 908 CA CYS A 63 4.767 -5.818 5.424 1.00 0.00 C ATOM 909 C CYS A 63 6.002 -4.926 5.293 1.00 0.00 C ATOM 910 O CYS A 63 6.548 -4.770 4.202 1.00 0.00 O ATOM 911 CB CYS A 63 4.909 -6.825 6.568 1.00 0.00 C ATOM 912 SG CYS A 63 6.601 -7.521 6.582 1.00 0.00 S ATOM 0 H CYS A 63 5.396 -6.776 3.670 1.00 0.00 H new ATOM 0 HA CYS A 63 3.901 -5.204 5.673 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.699 -6.338 7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.178 -7.626 6.452 1.00 0.00 H new ATOM 0 HG CYS A 63 6.712 -8.373 7.558 1.00 0.00 H new ATOM 986 N THR A 69 4.847 -12.627 6.463 1.00 0.00 N ATOM 987 CA THR A 69 3.728 -12.997 5.613 1.00 0.00 C ATOM 988 C THR A 69 3.514 -14.512 5.643 1.00 0.00 C ATOM 989 O THR A 69 2.655 -15.007 6.371 1.00 0.00 O ATOM 990 CB THR A 69 3.998 -12.450 4.210 1.00 0.00 C ATOM 991 OG1 THR A 69 5.420 -12.410 4.120 1.00 0.00 O ATOM 992 CG2 THR A 69 3.575 -10.987 4.061 1.00 0.00 C ATOM 0 HA THR A 69 2.797 -12.561 5.974 1.00 0.00 H new ATOM 0 HB THR A 69 3.469 -13.058 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.806 -12.462 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.788 -10.648 3.047 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.507 -10.895 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.128 -10.374 4.772 1.00 0.00 H new ATOM 1000 N SER A 70 4.309 -15.206 4.842 1.00 0.00 N ATOM 1001 CA SER A 70 4.218 -16.654 4.768 1.00 0.00 C ATOM 1002 C SER A 70 4.181 -17.249 6.177 1.00 0.00 C ATOM 1003 O SER A 70 3.475 -18.227 6.423 1.00 0.00 O ATOM 1004 CB SER A 70 5.387 -17.240 3.975 1.00 0.00 C ATOM 1005 OG SER A 70 4.958 -17.847 2.759 1.00 0.00 O ATOM 0 H SER A 70 5.019 -14.792 4.238 1.00 0.00 H new ATOM 0 HA SER A 70 3.296 -16.912 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.105 -16.451 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.905 -17.979 4.586 1.00 0.00 H new ATOM 0 HG SER A 70 5.734 -18.207 2.282 1.00 0.00 H new ATOM 1010 N ASN A 71 4.948 -16.635 7.064 1.00 0.00 N ATOM 1011 CA ASN A 71 5.012 -17.091 8.442 1.00 0.00 C ATOM 1012 C ASN A 71 3.592 -17.222 8.999 1.00 0.00 C ATOM 1013 O ASN A 71 3.355 -17.986 9.932 1.00 0.00 O ATOM 1014 CB ASN A 71 5.773 -16.095 9.318 1.00 0.00 C ATOM 1015 CG ASN A 71 7.226 -16.534 9.512 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.597 -17.113 10.520 1.00 0.00 O ATOM 1017 ND2 ASN A 71 8.025 -16.227 8.494 1.00 0.00 N ATOM 0 H ASN A 71 5.531 -15.825 6.856 1.00 0.00 H new ATOM 0 HA ASN A 71 5.529 -18.051 8.455 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.746 -15.107 8.859 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.283 -16.009 10.288 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.013 -16.477 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.650 -15.741 7.679 1.00 0.00 H new ATOM 1023 N ASN A 72 2.685 -16.461 8.401 1.00 0.00 N ATOM 1024 CA ASN A 72 1.296 -16.482 8.825 1.00 0.00 C ATOM 1025 C ASN A 72 0.390 -16.391 7.595 1.00 0.00 C ATOM 1026 O ASN A 72 -0.623 -15.695 7.616 1.00 0.00 O ATOM 1027 CB ASN A 72 0.979 -15.293 9.733 1.00 0.00 C ATOM 1028 CG ASN A 72 2.236 -14.809 10.461 1.00 0.00 C ATOM 1029 OD1 ASN A 72 2.857 -15.758 11.156 1.00 0.00 O flip ATOM 1030 ND2 ASN A 72 2.615 -13.652 10.397 1.00 0.00 N flip ATOM 0 H ASN A 72 2.886 -15.827 7.627 1.00 0.00 H new ATOM 0 HA ASN A 72 1.125 -17.409 9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.562 -14.479 9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 0.220 -15.579 10.461 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.091 -12.973 9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.456 -13.363 10.896 1.00 0.00 H new ATOM 1036 N ALA A 73 0.790 -17.103 6.552 1.00 0.00 N ATOM 1037 CA ALA A 73 0.027 -17.112 5.316 1.00 0.00 C ATOM 1038 C ALA A 73 -1.182 -18.036 5.474 1.00 0.00 C ATOM 1039 O ALA A 73 -2.035 -18.104 4.589 1.00 0.00 O ATOM 1040 CB ALA A 73 0.936 -17.533 4.158 1.00 0.00 C ATOM 0 H ALA A 73 1.633 -17.678 6.538 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.349 -16.114 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.364 -17.540 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.763 -16.828 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.330 -18.531 4.349 1.00 0.00 H new ATOM 1046 N ASP A 74 -1.217 -18.724 6.605 1.00 0.00 N ATOM 1047 CA ASP A 74 -2.309 -19.640 6.890 1.00 0.00 C ATOM 1048 C ASP A 74 -3.564 -18.838 7.240 1.00 0.00 C ATOM 1049 O ASP A 74 -4.628 -19.062 6.664 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.975 -20.540 8.081 1.00 0.00 C ATOM 1051 CG ASP A 74 -1.042 -21.711 7.766 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -1.489 -22.789 7.347 1.00 0.00 O ATOM 1053 OD2 ASP A 74 0.211 -21.480 7.970 1.00 0.00 O ATOM 0 H ASP A 74 -0.507 -18.666 7.335 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.472 -20.257 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.518 -19.931 8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.905 -20.936 8.490 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.399 -17.921 8.183 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.505 -17.086 8.616 1.00 0.00 C ATOM 1060 C LYS A 75 -4.739 -15.981 7.584 1.00 0.00 C ATOM 1061 O LYS A 75 -5.845 -15.834 7.066 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.258 -16.562 10.032 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.247 -17.177 11.024 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.692 -16.888 10.609 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.573 -18.125 10.795 1.00 0.00 C ATOM 1066 NZ LYS A 75 -8.707 -18.102 9.843 1.00 0.00 N ATOM 0 H LYS A 75 -2.515 -17.739 8.659 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.424 -17.670 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.238 -16.796 10.337 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.353 -15.476 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.089 -18.254 11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.064 -16.776 12.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.087 -16.063 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.718 -16.572 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.980 -19.027 10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.949 -18.160 11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.603 -18.137 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.670 -17.228 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.645 -18.925 9.210 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.680 -15.232 7.315 1.00 0.00 N ATOM 1076 CA LEU A 76 -3.756 -14.145 6.354 1.00 0.00 C ATOM 1077 C LEU A 76 -4.515 -14.620 5.113 1.00 0.00 C ATOM 1078 O LEU A 76 -5.259 -13.852 4.505 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.359 -13.601 6.049 1.00 0.00 C ATOM 1080 CG LEU A 76 -1.693 -12.798 7.169 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.324 -12.276 6.729 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -2.607 -11.671 7.654 1.00 0.00 C ATOM 0 H LEU A 76 -2.764 -15.357 7.746 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.316 -13.307 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.711 -14.440 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.422 -12.969 5.163 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.527 -13.465 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.128 -11.709 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.320 -13.117 6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.443 -11.630 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.110 -11.116 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.826 -10.998 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.537 -12.095 8.033 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.302 -15.883 4.775 1.00 0.00 N ATOM 1094 CA ALA A 77 -4.956 -16.468 3.618 1.00 0.00 C ATOM 1095 C ALA A 77 -6.445 -16.653 3.918 1.00 0.00 C ATOM 1096 O ALA A 77 -7.294 -16.333 3.088 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.268 -17.785 3.253 1.00 0.00 C ATOM 0 H ALA A 77 -3.685 -16.517 5.283 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.872 -15.806 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.759 -18.224 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.220 -17.596 3.020 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.334 -18.475 4.094 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.716 -17.166 5.109 1.00 0.00 N ATOM 1104 CA ALA A 78 -8.088 -17.397 5.529 1.00 0.00 C ATOM 1105 C ALA A 78 -8.815 -16.056 5.640 1.00 0.00 C ATOM 1106 O ALA A 78 -10.043 -16.014 5.707 1.00 0.00 O ATOM 1107 CB ALA A 78 -8.094 -18.173 6.848 1.00 0.00 C ATOM 0 H ALA A 78 -6.009 -17.428 5.796 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.618 -18.000 4.792 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.123 -18.346 7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.591 -19.130 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.573 -17.596 7.612 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.027 -14.991 5.654 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.581 -13.651 5.754 1.00 0.00 C ATOM 1115 C ILE A 79 -9.165 -13.242 4.400 1.00 0.00 C ATOM 1116 O ILE A 79 -10.340 -12.891 4.307 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.531 -12.676 6.291 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -7.671 -12.497 7.803 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.592 -11.340 5.547 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -6.365 -11.990 8.418 1.00 0.00 C ATOM 0 H ILE A 79 -7.009 -15.029 5.598 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.400 -13.630 6.473 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.544 -13.102 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.475 -11.793 8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.948 -13.446 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.836 -10.665 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.405 -11.506 4.486 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.579 -10.896 5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.492 -11.871 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.568 -12.708 8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.103 -11.029 7.975 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.317 -13.302 3.384 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.735 -12.943 2.039 1.00 0.00 C ATOM 1133 C ALA A 80 -8.914 -14.215 1.208 1.00 0.00 C ATOM 1134 O ALA A 80 -8.466 -14.282 0.065 1.00 0.00 O ATOM 1135 CB ALA A 80 -7.711 -11.985 1.426 1.00 0.00 C ATOM 0 H ALA A 80 -7.343 -13.594 3.465 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.694 -12.426 2.060 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.024 -11.715 0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.643 -11.085 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.736 -12.471 1.386 1.00 0.00 H new ATOM 1141 N ALA A 81 -9.570 -15.192 1.816 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.814 -16.458 1.147 1.00 0.00 C ATOM 1143 C ALA A 81 -11.301 -16.572 0.805 1.00 0.00 C ATOM 1144 O ALA A 81 -12.120 -15.814 1.323 1.00 0.00 O ATOM 1145 CB ALA A 81 -9.331 -17.607 2.034 1.00 0.00 C ATOM 0 H ALA A 81 -9.940 -15.132 2.765 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.256 -16.511 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.514 -18.557 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.263 -17.497 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.871 -17.587 2.981 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.613 -17.549 -0.087 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.582 -18.402 -0.654 1.00 0.00 C ATOM 1153 C PRO A 82 -9.767 -17.652 -1.708 1.00 0.00 C ATOM 1154 O PRO A 82 -8.866 -18.221 -2.323 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.329 -19.598 -1.222 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.776 -19.155 -1.368 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.950 -17.866 -0.580 1.00 0.00 C ATOM 0 HA PRO A 82 -9.848 -18.722 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -10.913 -19.897 -2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.249 -20.459 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.023 -18.997 -2.418 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.451 -19.925 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.340 -17.066 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.654 -17.996 0.242 1.00 0.00 H new ATOM 1162 N ALA A 83 -10.111 -16.384 -1.885 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.421 -15.550 -2.853 1.00 0.00 C ATOM 1164 C ALA A 83 -7.915 -15.789 -2.745 1.00 0.00 C ATOM 1165 O ALA A 83 -7.316 -15.535 -1.702 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.798 -14.084 -2.625 1.00 0.00 C ATOM 0 H ALA A 83 -10.859 -15.915 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.723 -15.810 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.280 -13.458 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.875 -13.963 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.508 -13.786 -1.617 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.344 -16.274 -3.839 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.918 -16.549 -3.880 1.00 0.00 C ATOM 1174 C GLU A 84 -5.127 -15.317 -3.439 1.00 0.00 C ATOM 1175 O GLU A 84 -5.553 -14.186 -3.668 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.488 -17.006 -5.276 1.00 0.00 C ATOM 1177 CG GLU A 84 -5.849 -18.476 -5.506 1.00 0.00 C ATOM 1178 CD GLU A 84 -4.852 -19.401 -4.807 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -3.633 -19.213 -4.939 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -5.384 -20.344 -4.106 1.00 0.00 O ATOM 0 H GLU A 84 -7.844 -16.483 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.704 -17.361 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.972 -16.386 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.413 -16.869 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.854 -18.670 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.860 -18.689 -6.575 1.00 0.00 H new ATOM 1186 N ILE A 85 -3.988 -15.578 -2.813 1.00 0.00 N ATOM 1187 CA ILE A 85 -3.132 -14.503 -2.337 1.00 0.00 C ATOM 1188 C ILE A 85 -1.669 -14.936 -2.448 1.00 0.00 C ATOM 1189 O ILE A 85 -1.375 -16.127 -2.531 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.543 -14.077 -0.927 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -5.065 -14.098 -0.768 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -2.948 -12.712 -0.572 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.486 -13.483 0.569 1.00 0.00 C ATOM 0 H ILE A 85 -3.638 -16.517 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.250 -13.616 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.136 -14.800 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.527 -13.547 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.426 -15.124 -0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.255 -12.432 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.860 -12.766 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.304 -11.964 -1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.572 -13.511 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.042 -14.051 1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.144 -12.449 0.618 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.791 -13.944 -2.445 1.00 0.00 N ATOM 1205 CA PHE A 86 0.635 -14.207 -2.543 1.00 0.00 C ATOM 1206 C PHE A 86 1.424 -13.326 -1.572 1.00 0.00 C ATOM 1207 O PHE A 86 0.846 -12.490 -0.878 1.00 0.00 O ATOM 1208 CB PHE A 86 1.054 -13.868 -3.976 1.00 0.00 C ATOM 1209 CG PHE A 86 0.356 -14.713 -5.044 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.885 -15.907 -5.419 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -0.793 -14.267 -5.619 1.00 0.00 C ATOM 1212 CE1 PHE A 86 0.238 -16.691 -6.412 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -1.441 -15.050 -6.610 1.00 0.00 C ATOM 1214 CZ PHE A 86 -0.912 -16.246 -6.986 1.00 0.00 C ATOM 0 H PHE A 86 -1.039 -12.957 -2.376 1.00 0.00 H new ATOM 0 HA PHE A 86 0.839 -15.248 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.844 -12.815 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.132 -14.000 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.798 -16.260 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.212 -13.317 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.659 -17.640 -6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.354 -14.696 -7.066 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.405 -16.842 -7.740 1.00 0.00 H new ATOM 1223 N LEU A 87 2.730 -13.543 -1.554 1.00 0.00 N ATOM 1224 CA LEU A 87 3.604 -12.780 -0.680 1.00 0.00 C ATOM 1225 C LEU A 87 4.576 -11.957 -1.528 1.00 0.00 C ATOM 1226 O LEU A 87 5.600 -12.468 -1.977 1.00 0.00 O ATOM 1227 CB LEU A 87 4.295 -13.703 0.326 1.00 0.00 C ATOM 1228 CG LEU A 87 3.374 -14.473 1.273 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.134 -13.648 1.624 1.00 0.00 C ATOM 1230 CD2 LEU A 87 3.007 -15.839 0.690 1.00 0.00 C ATOM 0 H LEU A 87 3.205 -14.237 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 87 3.024 -12.075 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.899 -14.423 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.982 -13.105 0.925 1.00 0.00 H new ATOM 0 HG LEU A 87 3.914 -14.654 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.496 -14.219 2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.439 -12.722 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.582 -13.415 0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.351 -16.366 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.494 -15.702 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.914 -16.423 0.533 1.00 0.00 H new ATOM 1241 N LEU A 88 4.220 -10.695 -1.723 1.00 0.00 N ATOM 1242 CA LEU A 88 5.047 -9.796 -2.509 1.00 0.00 C ATOM 1243 C LEU A 88 6.452 -9.746 -1.907 1.00 0.00 C ATOM 1244 O LEU A 88 6.751 -8.875 -1.093 1.00 0.00 O ATOM 1245 CB LEU A 88 4.380 -8.425 -2.633 1.00 0.00 C ATOM 1246 CG LEU A 88 5.040 -7.443 -3.603 1.00 0.00 C ATOM 1247 CD1 LEU A 88 4.400 -7.529 -4.990 1.00 0.00 C ATOM 1248 CD2 LEU A 88 5.012 -6.018 -3.045 1.00 0.00 C ATOM 0 H LEU A 88 3.369 -10.274 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 88 5.151 -10.166 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.346 -8.573 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.353 -7.966 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 88 6.087 -7.724 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.887 -6.821 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.516 -8.539 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.339 -7.288 -4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.487 -5.340 -3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.979 -5.710 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.550 -5.988 -2.098 1.00 0.00 H new ATOM 1259 N GLU A 89 7.277 -10.691 -2.332 1.00 0.00 N ATOM 1260 CA GLU A 89 8.645 -10.766 -1.845 1.00 0.00 C ATOM 1261 C GLU A 89 8.695 -10.426 -0.354 1.00 0.00 C ATOM 1262 O GLU A 89 7.688 -10.528 0.345 1.00 0.00 O ATOM 1263 CB GLU A 89 9.564 -9.844 -2.649 1.00 0.00 C ATOM 1264 CG GLU A 89 10.735 -10.625 -3.249 1.00 0.00 C ATOM 1265 CD GLU A 89 11.516 -11.365 -2.160 1.00 0.00 C ATOM 1266 OE1 GLU A 89 12.354 -10.758 -1.479 1.00 0.00 O ATOM 1267 OE2 GLU A 89 11.223 -12.614 -2.035 1.00 0.00 O ATOM 0 H GLU A 89 7.025 -11.412 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 89 9.003 -11.787 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.996 -9.364 -3.446 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.943 -9.051 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.362 -11.339 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.400 -9.942 -3.778 1.00 0.00 H new ATOM 1273 N ASP A 90 9.879 -10.032 0.091 1.00 0.00 N ATOM 1274 CA ASP A 90 10.076 -9.677 1.487 1.00 0.00 C ATOM 1275 C ASP A 90 9.321 -8.381 1.789 1.00 0.00 C ATOM 1276 O ASP A 90 9.934 -7.359 2.094 1.00 0.00 O ATOM 1277 CB ASP A 90 11.556 -9.446 1.794 1.00 0.00 C ATOM 1278 CG ASP A 90 12.337 -10.698 2.197 1.00 0.00 C ATOM 1279 OD1 ASP A 90 13.098 -10.688 3.176 1.00 0.00 O ATOM 1280 OD2 ASP A 90 12.136 -11.731 1.450 1.00 0.00 O ATOM 0 H ASP A 90 10.713 -9.951 -0.491 1.00 0.00 H new ATOM 0 HA ASP A 90 9.706 -10.499 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.030 -9.008 0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.635 -8.713 2.597 1.00 0.00 H new ATOM 1285 N GLY A 91 8.003 -8.466 1.696 1.00 0.00 N ATOM 1286 CA GLY A 91 7.158 -7.312 1.956 1.00 0.00 C ATOM 1287 C GLY A 91 7.213 -6.319 0.794 1.00 0.00 C ATOM 1288 O GLY A 91 6.554 -6.514 -0.227 1.00 0.00 O ATOM 0 H GLY A 91 7.498 -9.316 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.130 -7.638 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.480 -6.821 2.874 1.00 0.00 H new ATOM 1292 N ILE A 92 8.005 -5.274 0.986 1.00 0.00 N ATOM 1293 CA ILE A 92 8.155 -4.250 -0.033 1.00 0.00 C ATOM 1294 C ILE A 92 9.559 -4.336 -0.635 1.00 0.00 C ATOM 1295 O ILE A 92 9.789 -3.876 -1.752 1.00 0.00 O ATOM 1296 CB ILE A 92 7.814 -2.872 0.537 1.00 0.00 C ATOM 1297 CG1 ILE A 92 7.919 -1.792 -0.540 1.00 0.00 C ATOM 1298 CG2 ILE A 92 8.684 -2.553 1.755 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.412 -0.445 -0.019 1.00 0.00 C ATOM 0 H ILE A 92 8.550 -5.115 1.833 1.00 0.00 H new ATOM 0 HA ILE A 92 7.449 -4.417 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 92 6.778 -2.889 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.956 -1.694 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.340 -2.089 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.422 -1.568 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.516 -3.303 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.734 -2.561 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.498 0.305 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.368 -0.540 0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.009 -0.140 0.841 1.00 0.00 H new ATOM 1310 N ASP A 93 10.461 -4.931 0.132 1.00 0.00 N ATOM 1311 CA ASP A 93 11.836 -5.083 -0.311 1.00 0.00 C ATOM 1312 C ASP A 93 11.849 -5.575 -1.761 1.00 0.00 C ATOM 1313 O ASP A 93 12.801 -5.320 -2.497 1.00 0.00 O ATOM 1314 CB ASP A 93 12.579 -6.112 0.543 1.00 0.00 C ATOM 1315 CG ASP A 93 13.847 -6.686 -0.092 1.00 0.00 C ATOM 1316 OD1 ASP A 93 13.821 -7.196 -1.223 1.00 0.00 O ATOM 1317 OD2 ASP A 93 14.910 -6.594 0.632 1.00 0.00 O ATOM 0 H ASP A 93 10.266 -5.313 1.057 1.00 0.00 H new ATOM 0 HA ASP A 93 12.328 -4.115 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.844 -5.649 1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.899 -6.934 0.768 1.00 0.00 H new ATOM 1322 N GLY A 94 10.781 -6.269 -2.125 1.00 0.00 N ATOM 1323 CA GLY A 94 10.657 -6.798 -3.473 1.00 0.00 C ATOM 1324 C GLY A 94 10.518 -5.668 -4.495 1.00 0.00 C ATOM 1325 O GLY A 94 11.188 -5.673 -5.526 1.00 0.00 O ATOM 0 H GLY A 94 9.994 -6.477 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.531 -7.403 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.789 -7.455 -3.531 1.00 0.00 H new ATOM 1329 N TRP A 95 9.642 -4.728 -4.172 1.00 0.00 N ATOM 1330 CA TRP A 95 9.406 -3.593 -5.049 1.00 0.00 C ATOM 1331 C TRP A 95 10.740 -2.875 -5.264 1.00 0.00 C ATOM 1332 O TRP A 95 11.018 -2.388 -6.359 1.00 0.00 O ATOM 1333 CB TRP A 95 8.319 -2.678 -4.482 1.00 0.00 C ATOM 1334 CG TRP A 95 7.995 -1.473 -5.367 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.085 -0.173 -5.056 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.524 -1.510 -6.730 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.706 0.628 -6.114 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.355 -0.211 -7.165 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.251 -2.604 -7.570 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.906 0.115 -8.451 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.803 -2.262 -8.850 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.627 -0.959 -9.303 1.00 0.00 C ATOM 0 H TRP A 95 9.087 -4.729 -3.316 1.00 0.00 H new ATOM 0 HA TRP A 95 9.030 -3.926 -6.017 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.410 -3.261 -4.332 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.634 -2.321 -3.501 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.413 0.201 -4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.687 1.648 -6.123 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.377 -3.628 -7.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.782 1.140 -8.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.578 -3.066 -9.535 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.276 -0.777 -10.308 1.00 0.00 H new ATOM 1352 N LYS A 96 11.530 -2.832 -4.201 1.00 0.00 N ATOM 1353 CA LYS A 96 12.828 -2.182 -4.260 1.00 0.00 C ATOM 1354 C LYS A 96 13.847 -3.141 -4.880 1.00 0.00 C ATOM 1355 O LYS A 96 14.804 -2.706 -5.519 1.00 0.00 O ATOM 1356 CB LYS A 96 13.232 -1.667 -2.877 1.00 0.00 C ATOM 1357 CG LYS A 96 13.918 -0.302 -2.979 1.00 0.00 C ATOM 1358 CD LYS A 96 14.429 0.157 -1.612 1.00 0.00 C ATOM 1359 CE LYS A 96 15.716 -0.578 -1.232 1.00 0.00 C ATOM 1360 NZ LYS A 96 15.755 -0.836 0.224 1.00 0.00 N ATOM 0 H LYS A 96 11.296 -3.237 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 96 12.785 -1.303 -4.903 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.349 -1.588 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 96 13.904 -2.381 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.749 -0.360 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.217 0.433 -3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.612 1.231 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.666 -0.024 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.778 -1.521 -1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 96 16.581 0.016 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.635 -1.335 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.718 0.067 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.939 -1.422 0.495 1.00 0.00 H new ATOM 1369 N LYS A 97 13.606 -4.426 -4.669 1.00 0.00 N ATOM 1370 CA LYS A 97 14.491 -5.450 -5.200 1.00 0.00 C ATOM 1371 C LYS A 97 14.723 -5.194 -6.691 1.00 0.00 C ATOM 1372 O LYS A 97 15.851 -5.285 -7.171 1.00 0.00 O ATOM 1373 CB LYS A 97 13.941 -6.845 -4.893 1.00 0.00 C ATOM 1374 CG LYS A 97 15.068 -7.877 -4.835 1.00 0.00 C ATOM 1375 CD LYS A 97 15.076 -8.750 -6.091 1.00 0.00 C ATOM 1376 CE LYS A 97 16.330 -9.626 -6.140 1.00 0.00 C ATOM 1377 NZ LYS A 97 17.300 -9.088 -7.121 1.00 0.00 N ATOM 0 H LYS A 97 12.811 -4.782 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 97 15.465 -5.403 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.408 -6.829 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.219 -7.132 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.027 -7.369 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.946 -8.505 -3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.187 -9.380 -6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.034 -8.118 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.789 -9.670 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.058 -10.646 -6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.145 -9.694 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.864 -9.069 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.573 -8.123 -6.846 1.00 0.00 H new ATOM 1386 N ALA A 98 13.636 -4.881 -7.381 1.00 0.00 N ATOM 1387 CA ALA A 98 13.708 -4.611 -8.806 1.00 0.00 C ATOM 1388 C ALA A 98 13.955 -3.118 -9.028 1.00 0.00 C ATOM 1389 O ALA A 98 13.727 -2.603 -10.121 1.00 0.00 O ATOM 1390 CB ALA A 98 12.423 -5.096 -9.482 1.00 0.00 C ATOM 0 H ALA A 98 12.701 -4.809 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 98 14.540 -5.152 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.476 -4.894 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.309 -6.168 -9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.568 -4.572 -9.056 1.00 0.00 H new ATOM 1396 N GLY A 99 14.419 -2.465 -7.972 1.00 0.00 N ATOM 1397 CA GLY A 99 14.700 -1.041 -8.037 1.00 0.00 C ATOM 1398 C GLY A 99 13.497 -0.269 -8.581 1.00 0.00 C ATOM 1399 O GLY A 99 13.545 0.262 -9.690 1.00 0.00 O ATOM 0 H GLY A 99 14.607 -2.896 -7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.955 -0.671 -7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.567 -0.867 -8.674 1.00 0.00 H new ATOM 1403 N LEU A 100 12.446 -0.230 -7.775 1.00 0.00 N ATOM 1404 CA LEU A 100 11.232 0.469 -8.162 1.00 0.00 C ATOM 1405 C LEU A 100 10.870 1.490 -7.081 1.00 0.00 C ATOM 1406 O LEU A 100 10.813 1.153 -5.899 1.00 0.00 O ATOM 1407 CB LEU A 100 10.112 -0.530 -8.465 1.00 0.00 C ATOM 1408 CG LEU A 100 10.455 -1.640 -9.460 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.758 -2.948 -9.082 1.00 0.00 C ATOM 1410 CD2 LEU A 100 10.132 -1.211 -10.892 1.00 0.00 C ATOM 0 H LEU A 100 12.410 -0.671 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 100 11.390 1.025 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.801 -0.992 -7.528 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.254 0.022 -8.848 1.00 0.00 H new ATOM 0 HG LEU A 100 11.529 -1.822 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.018 -3.721 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.080 -3.258 -8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.678 -2.799 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.385 -2.018 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.069 -0.985 -10.973 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.712 -0.323 -11.145 1.00 0.00 H new ATOM 1421 N PRO A 101 10.628 2.748 -7.537 1.00 0.00 N ATOM 1422 CA PRO A 101 10.274 3.820 -6.622 1.00 0.00 C ATOM 1423 C PRO A 101 8.827 3.678 -6.145 1.00 0.00 C ATOM 1424 O PRO A 101 7.910 3.570 -6.958 1.00 0.00 O ATOM 1425 CB PRO A 101 10.519 5.101 -7.403 1.00 0.00 C ATOM 1426 CG PRO A 101 10.556 4.696 -8.867 1.00 0.00 C ATOM 1427 CD PRO A 101 10.688 3.182 -8.930 1.00 0.00 C ATOM 0 HA PRO A 101 10.868 3.807 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.728 5.828 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.457 5.568 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.649 5.021 -9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.395 5.174 -9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.885 2.738 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.627 2.885 -9.397 1.00 0.00 H new ATOM 1432 N VAL A 102 8.668 3.682 -4.830 1.00 0.00 N ATOM 1433 CA VAL A 102 7.347 3.555 -4.236 1.00 0.00 C ATOM 1434 C VAL A 102 6.612 4.892 -4.347 1.00 0.00 C ATOM 1435 O VAL A 102 7.100 5.821 -4.990 1.00 0.00 O ATOM 1436 CB VAL A 102 7.468 3.058 -2.795 1.00 0.00 C ATOM 1437 CG1 VAL A 102 7.670 4.225 -1.826 1.00 0.00 C ATOM 1438 CG2 VAL A 102 6.250 2.220 -2.399 1.00 0.00 C ATOM 0 H VAL A 102 9.431 3.771 -4.159 1.00 0.00 H new ATOM 0 HA VAL A 102 6.756 2.814 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 102 8.348 2.418 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.753 3.843 -0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 102 8.582 4.761 -2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.819 4.903 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.362 1.879 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.348 2.826 -2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.171 1.357 -3.060 1.00 0.00 H new ATOM 1448 N ALA A 103 5.451 4.948 -3.711 1.00 0.00 N ATOM 1449 CA ALA A 103 4.644 6.156 -3.729 1.00 0.00 C ATOM 1450 C ALA A 103 4.967 6.999 -2.495 1.00 0.00 C ATOM 1451 O ALA A 103 4.179 7.052 -1.552 1.00 0.00 O ATOM 1452 CB ALA A 103 3.163 5.779 -3.808 1.00 0.00 C ATOM 0 H ALA A 103 5.050 4.175 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 103 4.874 6.758 -4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.557 6.685 -3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.981 5.207 -4.718 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.894 5.176 -2.941 1.00 0.00 H new ATOM 1458 N VAL A 104 6.127 7.637 -2.540 1.00 0.00 N ATOM 1459 CA VAL A 104 6.564 8.476 -1.435 1.00 0.00 C ATOM 1460 C VAL A 104 6.196 9.931 -1.730 1.00 0.00 C ATOM 1461 O VAL A 104 6.347 10.397 -2.859 1.00 0.00 O ATOM 1462 CB VAL A 104 8.060 8.275 -1.186 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.309 7.056 -0.298 1.00 0.00 C ATOM 1464 CG2 VAL A 104 8.825 8.158 -2.506 1.00 0.00 C ATOM 0 H VAL A 104 6.778 7.591 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 104 6.055 8.193 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 104 8.433 9.154 -0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.380 6.936 -0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.811 7.197 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.913 6.165 -0.785 1.00 0.00 H new ATOM 0 HG21 VAL A 104 9.886 8.016 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.447 7.306 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.687 9.069 -3.088 1.00 0.00 H new