USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 848 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 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.419 K(o=-0.42,f=-5.7!) USER MOD Single : A 18 MET CE :methyl -138:sc= -0.605 (180deg=-1.07) USER MOD Single : A 19 MET CE :methyl -131:sc= -0.067 (180deg=-1.23) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.532 (180deg=0.519) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 161:sc= 1.2 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.587 K(o=0.59,f=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0799 (180deg=-0.49) USER MOD Single : A 65 SER OG : rot 9:sc= 0.313 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -170:sc= -0.368 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.7!) USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.108 (180deg=-0.566) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 106 MET CE :methyl -171:sc= -2.61! (180deg=-3.06!) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0857) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 9.513 3.511 -3.664 1.00 0.00 N ATOM 42 CA LEU A 4 10.745 2.840 -4.052 1.00 0.00 C ATOM 43 C LEU A 4 10.442 1.412 -4.505 1.00 0.00 C ATOM 44 O LEU A 4 10.159 0.545 -3.678 1.00 0.00 O ATOM 45 CB LEU A 4 11.717 2.856 -2.861 1.00 0.00 C ATOM 46 CG LEU A 4 12.914 1.915 -3.059 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.680 2.265 -4.331 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.864 2.049 -1.872 1.00 0.00 C ATOM 0 HA LEU A 4 11.209 3.361 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.081 3.872 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.181 2.570 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 4 12.536 0.896 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.523 1.583 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 4 13.017 2.173 -5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.048 3.289 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.715 1.382 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.217 3.078 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.339 1.783 -0.954 1.00 0.00 H new ATOM 60 N THR A 5 10.504 1.175 -5.820 1.00 0.00 N ATOM 61 CA THR A 5 10.330 -0.155 -6.393 1.00 0.00 C ATOM 62 C THR A 5 11.205 -0.406 -7.617 1.00 0.00 C ATOM 63 O THR A 5 11.637 -1.537 -7.830 1.00 0.00 O ATOM 64 CB THR A 5 8.856 -0.439 -6.720 1.00 0.00 C ATOM 65 OG1 THR A 5 8.520 0.169 -7.947 1.00 0.00 O ATOM 66 CG2 THR A 5 7.903 0.067 -5.639 1.00 0.00 C ATOM 0 H THR A 5 10.676 1.903 -6.513 1.00 0.00 H new ATOM 0 HA THR A 5 10.660 -0.851 -5.622 1.00 0.00 H new ATOM 0 HB THR A 5 8.745 -1.522 -6.778 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.580 -0.014 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.876 -0.161 -5.924 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.134 -0.421 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.018 1.145 -5.528 1.00 0.00 H new ATOM 74 N GLN A 6 11.473 0.627 -8.421 1.00 0.00 N ATOM 75 CA GLN A 6 12.295 0.468 -9.612 1.00 0.00 C ATOM 76 C GLN A 6 13.762 0.493 -9.201 1.00 0.00 C ATOM 77 O GLN A 6 14.282 1.549 -8.837 1.00 0.00 O ATOM 78 CB GLN A 6 11.999 1.592 -10.614 1.00 0.00 C ATOM 79 CG GLN A 6 10.492 1.851 -10.772 1.00 0.00 C ATOM 80 CD GLN A 6 9.724 0.634 -11.272 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.308 -0.336 -11.745 1.00 0.00 O ATOM 82 NE2 GLN A 6 8.399 0.680 -11.169 1.00 0.00 N ATOM 0 H GLN A 6 11.132 1.576 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 6 12.068 -0.483 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.490 2.508 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.424 1.333 -11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.081 2.163 -9.812 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.343 2.678 -11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.947 1.503 -10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 6 7.835 -0.108 -11.489 1.00 0.00 H new ATOM 91 N ILE A 7 14.433 -0.658 -9.250 1.00 0.00 N ATOM 92 CA ILE A 7 15.813 -0.754 -8.797 1.00 0.00 C ATOM 93 C ILE A 7 16.693 -1.423 -9.847 1.00 0.00 C ATOM 94 O ILE A 7 16.308 -2.438 -10.427 1.00 0.00 O ATOM 95 CB ILE A 7 15.862 -1.490 -7.447 1.00 0.00 C ATOM 96 CG1 ILE A 7 15.101 -0.653 -6.411 1.00 0.00 C ATOM 97 CG2 ILE A 7 17.319 -1.689 -7.015 1.00 0.00 C ATOM 98 CD1 ILE A 7 15.172 -1.262 -5.010 1.00 0.00 C ATOM 0 H ILE A 7 14.041 -1.533 -9.599 1.00 0.00 H new ATOM 0 HA ILE A 7 16.213 0.250 -8.653 1.00 0.00 H new ATOM 0 HB ILE A 7 15.398 -2.472 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.513 0.356 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.058 -0.564 -6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.347 -2.211 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.844 -2.280 -7.766 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.804 -0.718 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.619 -0.634 -4.312 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.735 -2.260 -5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 7 16.213 -1.326 -4.694 1.00 0.00 H new ATOM 110 N LEU A 8 17.877 -0.848 -10.081 1.00 0.00 N ATOM 111 CA LEU A 8 18.876 -1.427 -10.969 1.00 0.00 C ATOM 112 C LEU A 8 19.902 -2.209 -10.148 1.00 0.00 C ATOM 113 O LEU A 8 20.124 -1.902 -8.980 1.00 0.00 O ATOM 114 CB LEU A 8 19.564 -0.324 -11.780 1.00 0.00 C ATOM 115 CG LEU A 8 20.238 -0.917 -13.025 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.227 -0.988 -14.169 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.429 -0.068 -13.459 1.00 0.00 C ATOM 0 H LEU A 8 18.165 0.034 -9.657 1.00 0.00 H new ATOM 0 HA LEU A 8 18.387 -2.109 -11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.833 0.427 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.307 0.181 -11.162 1.00 0.00 H new ATOM 0 HG LEU A 8 20.595 -1.917 -12.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.706 -1.409 -15.053 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.389 -1.620 -13.875 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.864 0.014 -14.396 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.888 -0.510 -14.343 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.090 0.941 -13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.160 -0.028 -12.652 1.00 0.00 H new ATOM 129 N ILE A 9 20.528 -3.215 -10.757 1.00 0.00 N ATOM 130 CA ILE A 9 21.546 -4.018 -10.099 1.00 0.00 C ATOM 131 C ILE A 9 22.826 -3.991 -10.932 1.00 0.00 C ATOM 132 O ILE A 9 22.775 -3.993 -12.160 1.00 0.00 O ATOM 133 CB ILE A 9 21.031 -5.452 -9.899 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.719 -5.454 -9.101 1.00 0.00 C ATOM 135 CG2 ILE A 9 22.082 -6.301 -9.171 1.00 0.00 C ATOM 136 CD1 ILE A 9 19.035 -6.820 -9.185 1.00 0.00 C ATOM 0 H ILE A 9 20.341 -3.493 -11.720 1.00 0.00 H new ATOM 0 HA ILE A 9 21.770 -3.606 -9.115 1.00 0.00 H new ATOM 0 HB ILE A 9 20.843 -5.883 -10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.921 -5.207 -8.059 1.00 0.00 H new ATOM 0 HG13 ILE A 9 19.052 -4.684 -9.487 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.702 -7.314 -9.037 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.998 -6.332 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.294 -5.861 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.108 -6.798 -8.613 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.813 -7.052 -10.227 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.696 -7.584 -8.776 1.00 0.00 H new ATOM 148 N VAL A 10 23.974 -3.969 -10.253 1.00 0.00 N ATOM 149 CA VAL A 10 25.275 -4.003 -10.898 1.00 0.00 C ATOM 150 C VAL A 10 26.170 -5.000 -10.180 1.00 0.00 C ATOM 151 O VAL A 10 26.574 -4.773 -9.042 1.00 0.00 O ATOM 152 CB VAL A 10 25.901 -2.604 -10.938 1.00 0.00 C ATOM 153 CG1 VAL A 10 27.168 -2.629 -11.792 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.923 -1.570 -11.504 1.00 0.00 C ATOM 0 H VAL A 10 24.021 -3.927 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 10 25.157 -4.328 -11.932 1.00 0.00 H new ATOM 0 HB VAL A 10 26.148 -2.317 -9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.609 -1.633 -11.818 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.882 -3.331 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.917 -2.941 -12.806 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.398 -0.589 -11.518 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.642 -1.852 -12.519 1.00 0.00 H new ATOM 0 HG23 VAL A 10 24.031 -1.532 -10.878 1.00 0.00 H new ATOM 164 N GLU A 11 26.476 -6.109 -10.854 1.00 0.00 N ATOM 165 CA GLU A 11 27.183 -7.228 -10.254 1.00 0.00 C ATOM 166 C GLU A 11 28.057 -7.942 -11.284 1.00 0.00 C ATOM 167 O GLU A 11 27.887 -7.764 -12.491 1.00 0.00 O ATOM 168 CB GLU A 11 26.165 -8.206 -9.656 1.00 0.00 C ATOM 169 CG GLU A 11 26.087 -8.061 -8.133 1.00 0.00 C ATOM 170 CD GLU A 11 27.338 -8.612 -7.444 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.468 -8.368 -6.224 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.150 -9.267 -8.138 1.00 0.00 O ATOM 0 H GLU A 11 26.237 -6.252 -11.835 1.00 0.00 H new ATOM 0 HA GLU A 11 27.836 -6.850 -9.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.183 -8.024 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.444 -9.228 -9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.963 -7.010 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.207 -8.587 -7.763 1.00 0.00 H new ATOM 179 N ASP A 12 28.991 -8.755 -10.790 1.00 0.00 N ATOM 180 CA ASP A 12 29.833 -9.605 -11.615 1.00 0.00 C ATOM 181 C ASP A 12 29.765 -11.079 -11.200 1.00 0.00 C ATOM 182 O ASP A 12 30.138 -11.962 -11.974 1.00 0.00 O ATOM 183 CB ASP A 12 31.261 -9.041 -11.680 1.00 0.00 C ATOM 184 CG ASP A 12 32.300 -10.126 -11.942 1.00 0.00 C ATOM 185 OD1 ASP A 12 32.566 -10.396 -13.134 1.00 0.00 O ATOM 186 OD2 ASP A 12 32.819 -10.675 -10.942 1.00 0.00 O ATOM 0 H ASP A 12 29.182 -8.839 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 12 29.442 -9.593 -12.633 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.317 -8.290 -12.468 1.00 0.00 H new ATOM 0 HB3 ASP A 12 31.493 -8.537 -10.742 1.00 0.00 H new ATOM 191 N GLU A 13 29.285 -11.346 -9.980 1.00 0.00 N ATOM 192 CA GLU A 13 29.038 -12.706 -9.529 1.00 0.00 C ATOM 193 C GLU A 13 27.606 -13.095 -9.901 1.00 0.00 C ATOM 194 O GLU A 13 26.681 -12.333 -9.623 1.00 0.00 O ATOM 195 CB GLU A 13 29.235 -12.776 -8.009 1.00 0.00 C ATOM 196 CG GLU A 13 29.084 -14.208 -7.477 1.00 0.00 C ATOM 197 CD GLU A 13 30.266 -15.108 -7.848 1.00 0.00 C ATOM 198 OE1 GLU A 13 30.228 -16.293 -7.444 1.00 0.00 O ATOM 199 OE2 GLU A 13 31.192 -14.615 -8.529 1.00 0.00 O ATOM 0 H GLU A 13 29.061 -10.629 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 13 29.733 -13.398 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.224 -12.396 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.508 -12.128 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.982 -14.179 -6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 13 28.165 -14.642 -7.871 1.00 0.00 H new ATOM 206 N PRO A 14 27.399 -14.264 -10.518 1.00 0.00 N ATOM 207 CA PRO A 14 26.079 -14.705 -10.924 1.00 0.00 C ATOM 208 C PRO A 14 25.186 -14.982 -9.722 1.00 0.00 C ATOM 209 O PRO A 14 24.000 -14.650 -9.744 1.00 0.00 O ATOM 210 CB PRO A 14 26.295 -15.986 -11.731 1.00 0.00 C ATOM 211 CG PRO A 14 27.697 -16.472 -11.349 1.00 0.00 C ATOM 212 CD PRO A 14 28.430 -15.212 -10.892 1.00 0.00 C ATOM 0 HA PRO A 14 25.577 -13.934 -11.508 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.540 -16.735 -11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 14 26.223 -15.793 -12.801 1.00 0.00 H new ATOM 0 HG2 PRO A 14 27.656 -17.217 -10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 14 28.200 -16.938 -12.197 1.00 0.00 H new ATOM 0 HD2 PRO A 14 29.087 -15.427 -10.049 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.056 -14.813 -11.690 1.00 0.00 H new ATOM 220 N LEU A 15 25.749 -15.585 -8.674 1.00 0.00 N ATOM 221 CA LEU A 15 24.971 -16.009 -7.521 1.00 0.00 C ATOM 222 C LEU A 15 24.355 -14.803 -6.819 1.00 0.00 C ATOM 223 O LEU A 15 23.196 -14.859 -6.413 1.00 0.00 O ATOM 224 CB LEU A 15 25.870 -16.775 -6.544 1.00 0.00 C ATOM 225 CG LEU A 15 25.999 -18.253 -6.930 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.747 -18.425 -8.247 1.00 0.00 C ATOM 227 CD2 LEU A 15 26.756 -18.992 -5.829 1.00 0.00 C ATOM 0 H LEU A 15 26.746 -15.789 -8.605 1.00 0.00 H new ATOM 0 HA LEU A 15 24.167 -16.661 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.859 -16.317 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 15 25.462 -16.697 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 15 24.996 -18.661 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.819 -19.485 -8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 15 26.209 -17.908 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 15 27.749 -18.005 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 26.852 -20.044 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 15 27.748 -18.555 -5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 26.209 -18.905 -4.890 1.00 0.00 H new ATOM 239 N ILE A 16 25.112 -13.710 -6.671 1.00 0.00 N ATOM 240 CA ILE A 16 24.603 -12.534 -5.987 1.00 0.00 C ATOM 241 C ILE A 16 23.633 -11.782 -6.894 1.00 0.00 C ATOM 242 O ILE A 16 22.661 -11.198 -6.418 1.00 0.00 O ATOM 243 CB ILE A 16 25.771 -11.625 -5.577 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.854 -12.394 -4.802 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.245 -10.459 -4.739 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.325 -12.987 -3.496 1.00 0.00 C ATOM 0 H ILE A 16 26.068 -13.623 -7.015 1.00 0.00 H new ATOM 0 HA ILE A 16 24.068 -12.843 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 16 26.235 -11.243 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.246 -13.195 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.685 -11.724 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.076 -9.815 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.528 -9.884 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.756 -10.845 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 16 27.128 -13.520 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.958 -12.186 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.512 -13.679 -3.714 1.00 0.00 H new ATOM 258 N ALA A 17 23.887 -11.799 -8.209 1.00 0.00 N ATOM 259 CA ALA A 17 23.059 -11.071 -9.153 1.00 0.00 C ATOM 260 C ALA A 17 21.663 -11.686 -9.237 1.00 0.00 C ATOM 261 O ALA A 17 20.674 -10.961 -9.221 1.00 0.00 O ATOM 262 CB ALA A 17 23.733 -11.081 -10.525 1.00 0.00 C ATOM 0 H ALA A 17 24.660 -12.311 -8.634 1.00 0.00 H new ATOM 0 HA ALA A 17 22.949 -10.042 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.115 -10.535 -11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.711 -10.605 -10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.854 -12.110 -10.863 1.00 0.00 H new ATOM 268 N MET A 18 21.576 -13.017 -9.324 1.00 0.00 N ATOM 269 CA MET A 18 20.288 -13.682 -9.479 1.00 0.00 C ATOM 270 C MET A 18 19.511 -13.667 -8.164 1.00 0.00 C ATOM 271 O MET A 18 18.285 -13.715 -8.178 1.00 0.00 O ATOM 272 CB MET A 18 20.509 -15.112 -9.981 1.00 0.00 C ATOM 273 CG MET A 18 21.163 -15.999 -8.918 1.00 0.00 C ATOM 274 SD MET A 18 21.447 -17.712 -9.449 1.00 0.00 S ATOM 275 CE MET A 18 22.734 -17.449 -10.702 1.00 0.00 C ATOM 0 H MET A 18 22.378 -13.647 -9.290 1.00 0.00 H new ATOM 0 HA MET A 18 19.691 -13.144 -10.215 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.553 -15.544 -10.276 1.00 0.00 H new ATOM 0 HB3 MET A 18 21.137 -15.090 -10.872 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.117 -15.557 -8.629 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.533 -16.006 -8.029 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.532 -18.078 -11.569 1.00 0.00 H new ATOM 0 HE2 MET A 18 22.737 -16.402 -11.006 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.707 -17.708 -10.284 1.00 0.00 H new ATOM 285 N MET A 19 20.215 -13.598 -7.032 1.00 0.00 N ATOM 286 CA MET A 19 19.568 -13.535 -5.730 1.00 0.00 C ATOM 287 C MET A 19 19.004 -12.141 -5.465 1.00 0.00 C ATOM 288 O MET A 19 17.987 -12.009 -4.789 1.00 0.00 O ATOM 289 CB MET A 19 20.576 -13.928 -4.648 1.00 0.00 C ATOM 290 CG MET A 19 20.808 -15.441 -4.660 1.00 0.00 C ATOM 291 SD MET A 19 19.333 -16.440 -4.311 1.00 0.00 S ATOM 292 CE MET A 19 19.024 -15.933 -2.602 1.00 0.00 C ATOM 0 H MET A 19 21.234 -13.585 -6.996 1.00 0.00 H new ATOM 0 HA MET A 19 18.731 -14.233 -5.714 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.519 -13.408 -4.814 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.209 -13.618 -3.670 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.200 -15.727 -5.636 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.576 -15.683 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 19 18.877 -16.817 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.878 -15.366 -2.231 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.131 -15.310 -2.563 1.00 0.00 H new ATOM 302 N LEU A 20 19.651 -11.094 -5.992 1.00 0.00 N ATOM 303 CA LEU A 20 19.146 -9.737 -5.843 1.00 0.00 C ATOM 304 C LEU A 20 17.912 -9.542 -6.729 1.00 0.00 C ATOM 305 O LEU A 20 17.013 -8.783 -6.375 1.00 0.00 O ATOM 306 CB LEU A 20 20.244 -8.742 -6.221 1.00 0.00 C ATOM 307 CG LEU A 20 21.312 -8.648 -5.126 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.486 -7.825 -5.644 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.757 -7.967 -3.877 1.00 0.00 C ATOM 0 H LEU A 20 20.520 -11.167 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 20 18.856 -9.565 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.708 -9.048 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.805 -7.759 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 20 21.629 -9.658 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 20 23.250 -7.754 -4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.907 -8.307 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.141 -6.825 -5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.535 -7.913 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.425 -6.960 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.914 -8.541 -3.494 1.00 0.00 H new ATOM 321 N GLU A 21 17.865 -10.227 -7.874 1.00 0.00 N ATOM 322 CA GLU A 21 16.695 -10.193 -8.742 1.00 0.00 C ATOM 323 C GLU A 21 15.539 -10.951 -8.094 1.00 0.00 C ATOM 324 O GLU A 21 14.379 -10.591 -8.282 1.00 0.00 O ATOM 325 CB GLU A 21 17.041 -10.812 -10.096 1.00 0.00 C ATOM 326 CG GLU A 21 18.054 -9.945 -10.847 1.00 0.00 C ATOM 327 CD GLU A 21 18.602 -10.650 -12.089 1.00 0.00 C ATOM 328 OE1 GLU A 21 19.422 -10.016 -12.791 1.00 0.00 O ATOM 329 OE2 GLU A 21 18.200 -11.812 -12.329 1.00 0.00 O ATOM 0 H GLU A 21 18.627 -10.811 -8.218 1.00 0.00 H new ATOM 0 HA GLU A 21 16.390 -9.157 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.449 -11.812 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.136 -10.921 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.582 -9.008 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.878 -9.691 -10.181 1.00 0.00 H new ATOM 336 N ASP A 22 15.857 -12.000 -7.332 1.00 0.00 N ATOM 337 CA ASP A 22 14.865 -12.796 -6.633 1.00 0.00 C ATOM 338 C ASP A 22 14.297 -12.103 -5.400 1.00 0.00 C ATOM 339 O ASP A 22 13.115 -12.257 -5.092 1.00 0.00 O ATOM 340 CB ASP A 22 15.462 -14.161 -6.285 1.00 0.00 C ATOM 341 CG ASP A 22 15.559 -15.085 -7.498 1.00 0.00 C ATOM 342 OD1 ASP A 22 15.109 -14.677 -8.593 1.00 0.00 O ATOM 343 OD2 ASP A 22 16.083 -16.207 -7.314 1.00 0.00 O ATOM 0 H ASP A 22 16.816 -12.316 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 22 14.017 -12.930 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.455 -14.021 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.850 -14.637 -5.518 1.00 0.00 H new ATOM 348 N PHE A 23 15.128 -11.339 -4.687 1.00 0.00 N ATOM 349 CA PHE A 23 14.672 -10.630 -3.501 1.00 0.00 C ATOM 350 C PHE A 23 13.801 -9.412 -3.779 1.00 0.00 C ATOM 351 O PHE A 23 12.958 -9.053 -2.960 1.00 0.00 O ATOM 352 CB PHE A 23 15.846 -10.287 -2.583 1.00 0.00 C ATOM 353 CG PHE A 23 16.329 -11.447 -1.742 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.675 -11.832 -1.787 1.00 0.00 C ATOM 355 CD2 PHE A 23 15.434 -12.130 -0.906 1.00 0.00 C ATOM 356 CE1 PHE A 23 18.126 -12.896 -0.992 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.883 -13.192 -0.113 1.00 0.00 C ATOM 358 CZ PHE A 23 17.229 -13.576 -0.155 1.00 0.00 C ATOM 0 H PHE A 23 16.113 -11.199 -4.913 1.00 0.00 H new ATOM 0 HA PHE A 23 14.011 -11.327 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.674 -9.922 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.551 -9.471 -1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 23 18.365 -11.310 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 23 14.395 -11.836 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 23 19.164 -13.192 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.192 -13.715 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.576 -14.395 0.457 1.00 0.00 H new ATOM 368 N LEU A 24 13.995 -8.763 -4.929 1.00 0.00 N ATOM 369 CA LEU A 24 13.188 -7.610 -5.281 1.00 0.00 C ATOM 370 C LEU A 24 11.798 -8.057 -5.719 1.00 0.00 C ATOM 371 O LEU A 24 10.812 -7.398 -5.396 1.00 0.00 O ATOM 372 CB LEU A 24 13.886 -6.826 -6.396 1.00 0.00 C ATOM 373 CG LEU A 24 15.144 -6.117 -5.879 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.878 -5.481 -7.055 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.770 -5.022 -4.881 1.00 0.00 C ATOM 0 H LEU A 24 14.699 -9.019 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 24 13.075 -6.962 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.156 -7.504 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.197 -6.091 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 24 15.781 -6.849 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.774 -4.975 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.161 -6.255 -7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.225 -4.758 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.675 -4.530 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.127 -4.290 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.241 -5.464 -4.037 1.00 0.00 H new ATOM 387 N GLU A 25 11.705 -9.169 -6.451 1.00 0.00 N ATOM 388 CA GLU A 25 10.427 -9.649 -6.955 1.00 0.00 C ATOM 389 C GLU A 25 9.549 -10.198 -5.832 1.00 0.00 C ATOM 390 O GLU A 25 8.324 -10.128 -5.928 1.00 0.00 O ATOM 391 CB GLU A 25 10.673 -10.725 -8.013 1.00 0.00 C ATOM 392 CG GLU A 25 11.145 -10.114 -9.334 1.00 0.00 C ATOM 393 CD GLU A 25 10.004 -9.438 -10.105 1.00 0.00 C ATOM 394 OE1 GLU A 25 10.298 -8.892 -11.193 1.00 0.00 O ATOM 395 OE2 GLU A 25 8.856 -9.469 -9.607 1.00 0.00 O ATOM 0 H GLU A 25 12.503 -9.751 -6.705 1.00 0.00 H new ATOM 0 HA GLU A 25 9.895 -8.809 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.420 -11.430 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.756 -11.290 -8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.928 -9.383 -9.134 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.588 -10.893 -9.954 1.00 0.00 H new ATOM 402 N VAL A 26 10.152 -10.743 -4.765 1.00 0.00 N ATOM 403 CA VAL A 26 9.379 -11.260 -3.642 1.00 0.00 C ATOM 404 C VAL A 26 8.922 -10.149 -2.695 1.00 0.00 C ATOM 405 O VAL A 26 7.940 -10.314 -1.973 1.00 0.00 O ATOM 406 CB VAL A 26 10.165 -12.363 -2.924 1.00 0.00 C ATOM 407 CG1 VAL A 26 11.228 -11.778 -1.997 1.00 0.00 C ATOM 408 CG2 VAL A 26 9.219 -13.230 -2.091 1.00 0.00 C ATOM 0 H VAL A 26 11.163 -10.834 -4.662 1.00 0.00 H new ATOM 0 HA VAL A 26 8.464 -11.705 -4.032 1.00 0.00 H new ATOM 0 HB VAL A 26 10.653 -12.965 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.766 -12.588 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.928 -11.178 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.750 -11.150 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.790 -14.010 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.716 -12.610 -1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.476 -13.689 -2.744 1.00 0.00 H new ATOM 418 N LEU A 27 9.634 -9.014 -2.696 1.00 0.00 N ATOM 419 CA LEU A 27 9.247 -7.841 -1.921 1.00 0.00 C ATOM 420 C LEU A 27 8.278 -6.965 -2.726 1.00 0.00 C ATOM 421 O LEU A 27 8.065 -5.805 -2.380 1.00 0.00 O ATOM 422 CB LEU A 27 10.494 -7.052 -1.520 1.00 0.00 C ATOM 423 CG LEU A 27 11.335 -7.804 -0.484 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.636 -7.043 -0.246 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.584 -7.914 0.842 1.00 0.00 C ATOM 0 H LEU A 27 10.491 -8.889 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 27 8.734 -8.163 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.099 -6.854 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.197 -6.085 -1.114 1.00 0.00 H new ATOM 0 HG LEU A 27 11.540 -8.805 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.239 -7.574 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.190 -6.968 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.410 -6.043 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.198 -8.451 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.367 -6.915 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.650 -8.454 0.687 1.00 0.00 H new ATOM 437 N ASP A 28 7.695 -7.517 -3.795 1.00 0.00 N ATOM 438 CA ASP A 28 6.800 -6.785 -4.685 1.00 0.00 C ATOM 439 C ASP A 28 7.449 -5.552 -5.323 1.00 0.00 C ATOM 440 O ASP A 28 6.755 -4.630 -5.749 1.00 0.00 O ATOM 441 CB ASP A 28 5.464 -6.470 -3.995 1.00 0.00 C ATOM 442 CG ASP A 28 4.627 -7.727 -3.749 1.00 0.00 C ATOM 443 OD1 ASP A 28 5.046 -8.815 -4.200 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.564 -7.578 -3.100 1.00 0.00 O ATOM 0 H ASP A 28 7.834 -8.491 -4.065 1.00 0.00 H new ATOM 0 HA ASP A 28 6.582 -7.447 -5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.657 -5.973 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.896 -5.772 -4.610 1.00 0.00 H new ATOM 449 N LYS A 29 8.783 -5.544 -5.392 1.00 0.00 N ATOM 450 CA LYS A 29 9.532 -4.487 -6.055 1.00 0.00 C ATOM 451 C LYS A 29 9.816 -4.907 -7.495 1.00 0.00 C ATOM 452 O LYS A 29 9.304 -5.928 -7.960 1.00 0.00 O ATOM 453 CB LYS A 29 10.835 -4.205 -5.298 1.00 0.00 C ATOM 454 CG LYS A 29 10.600 -3.964 -3.805 1.00 0.00 C ATOM 455 CD LYS A 29 9.605 -2.827 -3.578 1.00 0.00 C ATOM 456 CE LYS A 29 9.530 -2.508 -2.088 1.00 0.00 C ATOM 457 NZ LYS A 29 8.687 -1.322 -1.847 1.00 0.00 N ATOM 0 H LYS A 29 9.370 -6.274 -4.987 1.00 0.00 H new ATOM 0 HA LYS A 29 8.946 -3.568 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.516 -5.047 -5.425 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.323 -3.332 -5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.225 -4.877 -3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.546 -3.725 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.914 -1.942 -4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.621 -3.111 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.124 -3.364 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.533 -2.332 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.705 -1.083 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.051 -0.519 -2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.709 -1.526 -2.137 1.00 0.00 H new ATOM 471 N THR A 30 10.631 -4.126 -8.205 1.00 0.00 N ATOM 472 CA THR A 30 10.905 -4.374 -9.614 1.00 0.00 C ATOM 473 C THR A 30 12.386 -4.255 -9.981 1.00 0.00 C ATOM 474 O THR A 30 12.933 -3.151 -9.989 1.00 0.00 O ATOM 475 CB THR A 30 10.049 -3.446 -10.482 1.00 0.00 C ATOM 476 OG1 THR A 30 8.747 -3.342 -9.943 1.00 0.00 O ATOM 477 CG2 THR A 30 9.966 -3.968 -11.915 1.00 0.00 C ATOM 0 H THR A 30 11.113 -3.313 -7.822 1.00 0.00 H new ATOM 0 HA THR A 30 10.636 -5.412 -9.810 1.00 0.00 H new ATOM 0 HB THR A 30 10.518 -2.462 -10.493 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.208 -2.746 -10.503 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.353 -3.293 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.968 -4.022 -12.341 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.517 -4.961 -11.915 1.00 0.00 H new ATOM 485 N PRO A 31 13.047 -5.379 -10.292 1.00 0.00 N ATOM 486 CA PRO A 31 14.381 -5.379 -10.863 1.00 0.00 C ATOM 487 C PRO A 31 14.281 -4.978 -12.333 1.00 0.00 C ATOM 488 O PRO A 31 14.054 -5.823 -13.198 1.00 0.00 O ATOM 489 CB PRO A 31 14.892 -6.808 -10.700 1.00 0.00 C ATOM 490 CG PRO A 31 13.625 -7.665 -10.648 1.00 0.00 C ATOM 491 CD PRO A 31 12.538 -6.729 -10.124 1.00 0.00 C ATOM 0 HA PRO A 31 15.060 -4.676 -10.380 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.533 -7.098 -11.533 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.482 -6.917 -9.790 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.370 -8.053 -11.634 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.756 -8.525 -9.991 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.608 -6.865 -10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.320 -6.935 -9.076 1.00 0.00 H new ATOM 499 N VAL A 32 14.448 -3.684 -12.621 1.00 0.00 N ATOM 500 CA VAL A 32 14.246 -3.157 -13.969 1.00 0.00 C ATOM 501 C VAL A 32 15.404 -3.483 -14.912 1.00 0.00 C ATOM 502 O VAL A 32 15.322 -3.183 -16.103 1.00 0.00 O ATOM 503 CB VAL A 32 13.971 -1.646 -13.921 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.876 -1.339 -12.908 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.227 -0.866 -13.540 1.00 0.00 C ATOM 0 H VAL A 32 14.724 -2.982 -11.934 1.00 0.00 H new ATOM 0 HA VAL A 32 13.370 -3.658 -14.381 1.00 0.00 H new ATOM 0 HB VAL A 32 13.652 -1.340 -14.918 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.692 -0.265 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.961 -1.858 -13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.190 -1.674 -11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.000 0.200 -13.515 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.571 -1.187 -12.557 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.009 -1.053 -14.276 1.00 0.00 H new ATOM 515 N GLY A 33 16.476 -4.093 -14.404 1.00 0.00 N ATOM 516 CA GLY A 33 17.585 -4.503 -15.250 1.00 0.00 C ATOM 517 C GLY A 33 18.848 -4.775 -14.445 1.00 0.00 C ATOM 518 O GLY A 33 18.940 -4.409 -13.271 1.00 0.00 O ATOM 0 H GLY A 33 16.595 -4.311 -13.415 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.307 -5.401 -15.802 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.785 -3.725 -15.987 1.00 0.00 H new ATOM 522 N THR A 34 19.816 -5.423 -15.092 1.00 0.00 N ATOM 523 CA THR A 34 21.102 -5.742 -14.495 1.00 0.00 C ATOM 524 C THR A 34 22.235 -5.569 -15.494 1.00 0.00 C ATOM 525 O THR A 34 22.097 -5.938 -16.657 1.00 0.00 O ATOM 526 CB THR A 34 21.092 -7.155 -13.905 1.00 0.00 C ATOM 527 OG1 THR A 34 19.922 -7.356 -13.142 1.00 0.00 O ATOM 528 CG2 THR A 34 22.316 -7.382 -13.022 1.00 0.00 C ATOM 0 H THR A 34 19.723 -5.743 -16.056 1.00 0.00 H new ATOM 0 HA THR A 34 21.276 -5.039 -13.681 1.00 0.00 H new ATOM 0 HB THR A 34 21.115 -7.866 -14.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.764 -8.317 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 34 22.288 -8.392 -12.614 1.00 0.00 H new ATOM 0 HG22 THR A 34 23.221 -7.256 -13.616 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.314 -6.660 -12.205 1.00 0.00 H new ATOM 536 N VAL A 35 23.358 -5.009 -15.036 1.00 0.00 N ATOM 537 CA VAL A 35 24.518 -4.768 -15.884 1.00 0.00 C ATOM 538 C VAL A 35 25.805 -5.155 -15.151 1.00 0.00 C ATOM 539 O VAL A 35 25.793 -5.366 -13.939 1.00 0.00 O ATOM 540 CB VAL A 35 24.539 -3.304 -16.338 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.204 -2.896 -16.966 1.00 0.00 C ATOM 542 CG2 VAL A 35 24.810 -2.384 -15.152 1.00 0.00 C ATOM 0 H VAL A 35 23.484 -4.712 -14.068 1.00 0.00 H new ATOM 0 HA VAL A 35 24.450 -5.393 -16.774 1.00 0.00 H new ATOM 0 HB VAL A 35 25.331 -3.209 -17.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.252 -1.852 -17.277 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.003 -3.524 -17.834 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.405 -3.020 -16.235 1.00 0.00 H new ATOM 0 HG21 VAL A 35 24.822 -1.348 -15.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.027 -2.513 -14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 35 25.776 -2.633 -14.712 1.00 0.00 H new ATOM 552 N ASP A 36 26.913 -5.246 -15.889 1.00 0.00 N ATOM 553 CA ASP A 36 28.201 -5.654 -15.333 1.00 0.00 C ATOM 554 C ASP A 36 29.341 -4.679 -15.643 1.00 0.00 C ATOM 555 O ASP A 36 30.484 -4.922 -15.261 1.00 0.00 O ATOM 556 CB ASP A 36 28.546 -7.091 -15.744 1.00 0.00 C ATOM 557 CG ASP A 36 28.353 -7.358 -17.243 1.00 0.00 C ATOM 558 OD1 ASP A 36 28.114 -6.387 -17.995 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.453 -8.548 -17.618 1.00 0.00 O ATOM 0 H ASP A 36 26.941 -5.039 -16.887 1.00 0.00 H new ATOM 0 HA ASP A 36 28.089 -5.627 -14.249 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.582 -7.299 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.924 -7.783 -15.176 1.00 0.00 H new ATOM 564 N THR A 37 29.029 -3.575 -16.329 1.00 0.00 N ATOM 565 CA THR A 37 29.998 -2.525 -16.629 1.00 0.00 C ATOM 566 C THR A 37 29.443 -1.136 -16.376 1.00 0.00 C ATOM 567 O THR A 37 28.228 -0.940 -16.385 1.00 0.00 O ATOM 568 CB THR A 37 30.559 -2.643 -18.053 1.00 0.00 C ATOM 569 OG1 THR A 37 29.667 -2.025 -18.954 1.00 0.00 O ATOM 570 CG2 THR A 37 30.779 -4.097 -18.472 1.00 0.00 C ATOM 0 H THR A 37 28.094 -3.387 -16.691 1.00 0.00 H new ATOM 0 HA THR A 37 30.826 -2.674 -15.936 1.00 0.00 H new ATOM 0 HB THR A 37 31.530 -2.148 -18.070 1.00 0.00 H new ATOM 0 HG1 THR A 37 30.021 -2.096 -19.865 1.00 0.00 H new ATOM 0 HG21 THR A 37 31.177 -4.127 -19.486 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.487 -4.569 -17.791 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.830 -4.633 -18.438 1.00 0.00 H new ATOM 578 N VAL A 38 30.326 -0.157 -16.151 1.00 0.00 N ATOM 579 CA VAL A 38 29.882 1.203 -15.880 1.00 0.00 C ATOM 580 C VAL A 38 29.273 1.874 -17.101 1.00 0.00 C ATOM 581 O VAL A 38 28.469 2.790 -16.963 1.00 0.00 O ATOM 582 CB VAL A 38 30.997 2.050 -15.253 1.00 0.00 C ATOM 583 CG1 VAL A 38 31.845 1.225 -14.289 1.00 0.00 C ATOM 584 CG2 VAL A 38 31.903 2.669 -16.315 1.00 0.00 C ATOM 0 H VAL A 38 31.338 -0.284 -16.152 1.00 0.00 H new ATOM 0 HA VAL A 38 29.082 1.128 -15.144 1.00 0.00 H new ATOM 0 HB VAL A 38 30.505 2.851 -14.702 1.00 0.00 H new ATOM 0 HG11 VAL A 38 32.626 1.854 -13.862 1.00 0.00 H new ATOM 0 HG12 VAL A 38 31.214 0.837 -13.490 1.00 0.00 H new ATOM 0 HG13 VAL A 38 32.302 0.394 -14.826 1.00 0.00 H new ATOM 0 HG21 VAL A 38 32.680 3.261 -15.831 1.00 0.00 H new ATOM 0 HG22 VAL A 38 32.365 1.878 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 38 31.312 3.311 -16.968 1.00 0.00 H new ATOM 594 N ALA A 39 29.652 1.424 -18.300 1.00 0.00 N ATOM 595 CA ALA A 39 29.098 1.971 -19.530 1.00 0.00 C ATOM 596 C ALA A 39 27.617 1.608 -19.640 1.00 0.00 C ATOM 597 O ALA A 39 26.820 2.394 -20.143 1.00 0.00 O ATOM 598 CB ALA A 39 29.881 1.416 -20.722 1.00 0.00 C ATOM 0 H ALA A 39 30.339 0.683 -18.440 1.00 0.00 H new ATOM 0 HA ALA A 39 29.183 3.058 -19.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.471 1.822 -21.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 30.929 1.701 -20.633 1.00 0.00 H new ATOM 0 HB3 ALA A 39 29.801 0.329 -20.736 1.00 0.00 H new ATOM 604 N GLY A 40 27.250 0.411 -19.166 1.00 0.00 N ATOM 605 CA GLY A 40 25.863 -0.022 -19.173 1.00 0.00 C ATOM 606 C GLY A 40 25.114 0.521 -17.962 1.00 0.00 C ATOM 607 O GLY A 40 23.908 0.752 -18.030 1.00 0.00 O ATOM 0 H GLY A 40 27.901 -0.269 -18.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.377 0.318 -20.088 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.819 -1.111 -19.174 1.00 0.00 H new ATOM 611 N ALA A 41 25.822 0.729 -16.848 1.00 0.00 N ATOM 612 CA ALA A 41 25.223 1.232 -15.624 1.00 0.00 C ATOM 613 C ALA A 41 24.876 2.710 -15.759 1.00 0.00 C ATOM 614 O ALA A 41 23.832 3.147 -15.278 1.00 0.00 O ATOM 615 CB ALA A 41 26.201 1.015 -14.472 1.00 0.00 C ATOM 0 H ALA A 41 26.824 0.552 -16.777 1.00 0.00 H new ATOM 0 HA ALA A 41 24.297 0.692 -15.426 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.762 1.389 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.412 -0.049 -14.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.128 1.550 -14.676 1.00 0.00 H new ATOM 621 N LEU A 42 25.743 3.485 -16.417 1.00 0.00 N ATOM 622 CA LEU A 42 25.479 4.893 -16.644 1.00 0.00 C ATOM 623 C LEU A 42 24.382 5.038 -17.695 1.00 0.00 C ATOM 624 O LEU A 42 23.563 5.946 -17.607 1.00 0.00 O ATOM 625 CB LEU A 42 26.765 5.587 -17.113 1.00 0.00 C ATOM 626 CG LEU A 42 27.789 5.704 -15.982 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.110 6.215 -16.555 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.310 6.682 -14.910 1.00 0.00 C ATOM 0 H LEU A 42 26.630 3.154 -16.798 1.00 0.00 H new ATOM 0 HA LEU A 42 25.146 5.361 -15.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.200 5.027 -17.941 1.00 0.00 H new ATOM 0 HB3 LEU A 42 26.525 6.581 -17.491 1.00 0.00 H new ATOM 0 HG LEU A 42 27.918 4.721 -15.530 1.00 0.00 H new ATOM 0 HD11 LEU A 42 29.845 6.301 -15.755 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.474 5.517 -17.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.955 7.193 -17.011 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.056 6.747 -14.118 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.166 7.667 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.366 6.331 -14.492 1.00 0.00 H new ATOM 640 N ALA A 43 24.354 4.145 -18.690 1.00 0.00 N ATOM 641 CA ALA A 43 23.336 4.194 -19.727 1.00 0.00 C ATOM 642 C ALA A 43 21.956 3.866 -19.151 1.00 0.00 C ATOM 643 O ALA A 43 20.937 4.250 -19.723 1.00 0.00 O ATOM 644 CB ALA A 43 23.708 3.205 -20.833 1.00 0.00 C ATOM 0 H ALA A 43 25.026 3.384 -18.793 1.00 0.00 H new ATOM 0 HA ALA A 43 23.289 5.202 -20.140 1.00 0.00 H new ATOM 0 HB1 ALA A 43 22.951 3.234 -21.616 1.00 0.00 H new ATOM 0 HB2 ALA A 43 24.676 3.477 -21.254 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.763 2.199 -20.418 1.00 0.00 H new ATOM 650 N ARG A 44 21.927 3.156 -18.015 1.00 0.00 N ATOM 651 CA ARG A 44 20.683 2.794 -17.354 1.00 0.00 C ATOM 652 C ARG A 44 20.206 3.885 -16.402 1.00 0.00 C ATOM 653 O ARG A 44 19.042 4.280 -16.460 1.00 0.00 O ATOM 654 CB ARG A 44 20.868 1.467 -16.610 1.00 0.00 C ATOM 655 CG ARG A 44 20.749 0.271 -17.556 1.00 0.00 C ATOM 656 CD ARG A 44 19.328 0.180 -18.114 1.00 0.00 C ATOM 657 NE ARG A 44 19.089 -1.123 -18.747 1.00 0.00 N ATOM 658 CZ ARG A 44 18.067 -1.928 -18.436 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.179 -1.576 -17.513 1.00 0.00 N ATOM 660 NH2 ARG A 44 17.933 -3.099 -19.056 1.00 0.00 N ATOM 0 H ARG A 44 22.764 2.822 -17.537 1.00 0.00 H new ATOM 0 HA ARG A 44 19.912 2.679 -18.116 1.00 0.00 H new ATOM 0 HB2 ARG A 44 21.845 1.453 -16.126 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.120 1.384 -15.821 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.463 0.372 -18.373 1.00 0.00 H new ATOM 0 HG3 ARG A 44 20.999 -0.648 -17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.608 0.334 -17.310 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.169 0.976 -18.842 1.00 0.00 H new ATOM 0 HE ARG A 44 19.741 -1.433 -19.467 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.271 -0.682 -17.031 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.405 -2.200 -17.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.609 -3.380 -19.766 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.155 -3.715 -18.821 1.00 0.00 H new ATOM 674 N VAL A 45 21.086 4.380 -15.528 1.00 0.00 N ATOM 675 CA VAL A 45 20.671 5.346 -14.516 1.00 0.00 C ATOM 676 C VAL A 45 20.462 6.755 -15.080 1.00 0.00 C ATOM 677 O VAL A 45 19.698 7.533 -14.515 1.00 0.00 O ATOM 678 CB VAL A 45 21.630 5.327 -13.319 1.00 0.00 C ATOM 679 CG1 VAL A 45 22.914 6.107 -13.607 1.00 0.00 C ATOM 680 CG2 VAL A 45 20.939 5.947 -12.105 1.00 0.00 C ATOM 0 H VAL A 45 22.075 4.131 -15.502 1.00 0.00 H new ATOM 0 HA VAL A 45 19.689 5.035 -14.159 1.00 0.00 H new ATOM 0 HB VAL A 45 21.896 4.288 -13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 45 23.566 6.069 -12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.425 5.664 -14.462 1.00 0.00 H new ATOM 0 HG13 VAL A 45 22.667 7.145 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.619 5.934 -11.253 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.660 6.976 -12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.044 5.373 -11.863 1.00 0.00 H new ATOM 690 N GLU A 46 21.130 7.088 -16.187 1.00 0.00 N ATOM 691 CA GLU A 46 20.956 8.388 -16.820 1.00 0.00 C ATOM 692 C GLU A 46 19.657 8.434 -17.629 1.00 0.00 C ATOM 693 O GLU A 46 19.202 9.514 -18.002 1.00 0.00 O ATOM 694 CB GLU A 46 22.158 8.711 -17.710 1.00 0.00 C ATOM 695 CG GLU A 46 23.438 8.862 -16.876 1.00 0.00 C ATOM 696 CD GLU A 46 23.404 10.099 -15.971 1.00 0.00 C ATOM 697 OE1 GLU A 46 22.502 10.943 -16.165 1.00 0.00 O ATOM 698 OE2 GLU A 46 24.291 10.186 -15.093 1.00 0.00 O ATOM 0 H GLU A 46 21.794 6.474 -16.659 1.00 0.00 H new ATOM 0 HA GLU A 46 20.890 9.143 -16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.292 7.919 -18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.969 9.632 -18.262 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.576 7.971 -16.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.297 8.927 -17.543 1.00 0.00 H new ATOM 705 N ASP A 47 19.061 7.268 -17.903 1.00 0.00 N ATOM 706 CA ASP A 47 17.793 7.202 -18.614 1.00 0.00 C ATOM 707 C ASP A 47 16.671 7.612 -17.653 1.00 0.00 C ATOM 708 O ASP A 47 15.577 7.976 -18.087 1.00 0.00 O ATOM 709 CB ASP A 47 17.575 5.765 -19.100 1.00 0.00 C ATOM 710 CG ASP A 47 16.396 5.651 -20.067 1.00 0.00 C ATOM 711 OD1 ASP A 47 16.015 6.688 -20.651 1.00 0.00 O ATOM 712 OD2 ASP A 47 15.889 4.518 -20.212 1.00 0.00 O ATOM 0 H ASP A 47 19.443 6.359 -17.640 1.00 0.00 H new ATOM 0 HA ASP A 47 17.796 7.874 -19.472 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.480 5.409 -19.591 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.402 5.116 -18.242 1.00 0.00 H new ATOM 717 N GLY A 48 16.942 7.554 -16.343 1.00 0.00 N ATOM 718 CA GLY A 48 15.985 7.948 -15.324 1.00 0.00 C ATOM 719 C GLY A 48 14.875 6.911 -15.170 1.00 0.00 C ATOM 720 O GLY A 48 14.952 5.819 -15.730 1.00 0.00 O ATOM 0 H GLY A 48 17.834 7.231 -15.969 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.499 8.077 -14.371 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.550 8.913 -15.585 1.00 0.00 H new ATOM 724 N GLY A 49 13.839 7.264 -14.403 1.00 0.00 N ATOM 725 CA GLY A 49 12.718 6.373 -14.132 1.00 0.00 C ATOM 726 C GLY A 49 13.083 5.313 -13.091 1.00 0.00 C ATOM 727 O GLY A 49 12.250 4.471 -12.753 1.00 0.00 O ATOM 0 H GLY A 49 13.758 8.177 -13.955 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.867 6.955 -13.778 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.408 5.885 -15.056 1.00 0.00 H new ATOM 731 N ILE A 50 14.320 5.355 -12.586 1.00 0.00 N ATOM 732 CA ILE A 50 14.798 4.407 -11.589 1.00 0.00 C ATOM 733 C ILE A 50 14.812 5.072 -10.215 1.00 0.00 C ATOM 734 O ILE A 50 15.160 6.246 -10.096 1.00 0.00 O ATOM 735 CB ILE A 50 16.186 3.901 -11.997 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.083 3.137 -13.323 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.759 2.987 -10.909 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.463 2.943 -13.947 1.00 0.00 C ATOM 0 H ILE A 50 15.014 6.050 -12.861 1.00 0.00 H new ATOM 0 HA ILE A 50 14.131 3.547 -11.531 1.00 0.00 H new ATOM 0 HB ILE A 50 16.854 4.753 -12.122 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.616 2.167 -13.153 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.440 3.683 -14.013 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.745 2.635 -11.212 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.843 3.542 -9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.097 2.133 -10.765 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.364 2.399 -14.886 1.00 0.00 H new ATOM 0 HD12 ILE A 50 17.916 3.916 -14.137 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.095 2.376 -13.264 1.00 0.00 H new ATOM 750 N ASP A 51 14.435 4.322 -9.175 1.00 0.00 N ATOM 751 CA ASP A 51 14.306 4.862 -7.830 1.00 0.00 C ATOM 752 C ASP A 51 15.599 4.687 -7.033 1.00 0.00 C ATOM 753 O ASP A 51 15.923 5.534 -6.206 1.00 0.00 O ATOM 754 CB ASP A 51 13.159 4.145 -7.110 1.00 0.00 C ATOM 755 CG ASP A 51 11.829 4.247 -7.856 1.00 0.00 C ATOM 756 OD1 ASP A 51 11.700 5.156 -8.706 1.00 0.00 O ATOM 757 OD2 ASP A 51 10.952 3.405 -7.559 1.00 0.00 O ATOM 0 H ASP A 51 14.213 3.329 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 51 14.098 5.929 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.418 3.094 -6.983 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.043 4.568 -6.112 1.00 0.00 H new ATOM 762 N ALA A 52 16.337 3.596 -7.280 1.00 0.00 N ATOM 763 CA ALA A 52 17.574 3.299 -6.564 1.00 0.00 C ATOM 764 C ALA A 52 18.412 2.296 -7.360 1.00 0.00 C ATOM 765 O ALA A 52 17.963 1.782 -8.380 1.00 0.00 O ATOM 766 CB ALA A 52 17.233 2.733 -5.187 1.00 0.00 C ATOM 0 H ALA A 52 16.089 2.899 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 52 18.155 4.213 -6.443 1.00 0.00 H new ATOM 0 HB1 ALA A 52 18.153 2.509 -4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.653 3.465 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.649 1.820 -5.303 1.00 0.00 H new ATOM 772 N ALA A 53 19.634 2.008 -6.896 1.00 0.00 N ATOM 773 CA ALA A 53 20.494 1.045 -7.570 1.00 0.00 C ATOM 774 C ALA A 53 21.391 0.301 -6.578 1.00 0.00 C ATOM 775 O ALA A 53 21.503 0.690 -5.416 1.00 0.00 O ATOM 776 CB ALA A 53 21.333 1.772 -8.624 1.00 0.00 C ATOM 0 H ALA A 53 20.042 2.429 -6.061 1.00 0.00 H new ATOM 0 HA ALA A 53 19.868 0.297 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.979 1.056 -9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.673 2.245 -9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.945 2.533 -8.140 1.00 0.00 H new ATOM 782 N ILE A 54 22.031 -0.774 -7.048 1.00 0.00 N ATOM 783 CA ILE A 54 22.955 -1.574 -6.249 1.00 0.00 C ATOM 784 C ILE A 54 24.269 -1.725 -7.015 1.00 0.00 C ATOM 785 O ILE A 54 24.247 -1.850 -8.239 1.00 0.00 O ATOM 786 CB ILE A 54 22.327 -2.933 -5.908 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.905 -2.744 -5.358 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.210 -3.659 -4.886 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.279 -4.069 -4.927 1.00 0.00 C ATOM 0 H ILE A 54 21.919 -1.114 -8.003 1.00 0.00 H new ATOM 0 HA ILE A 54 23.164 -1.075 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 54 22.260 -3.536 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.932 -2.062 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.280 -2.278 -6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.766 -4.624 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.203 -3.812 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.289 -3.057 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.274 -3.889 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.227 -4.742 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.889 -4.522 -4.146 1.00 0.00 H new ATOM 801 N LEU A 55 25.404 -1.718 -6.313 1.00 0.00 N ATOM 802 CA LEU A 55 26.709 -1.694 -6.958 1.00 0.00 C ATOM 803 C LEU A 55 27.726 -2.589 -6.255 1.00 0.00 C ATOM 804 O LEU A 55 28.010 -2.399 -5.077 1.00 0.00 O ATOM 805 CB LEU A 55 27.212 -0.244 -6.983 1.00 0.00 C ATOM 806 CG LEU A 55 28.581 -0.129 -7.661 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.498 -0.564 -9.119 1.00 0.00 C ATOM 808 CD2 LEU A 55 29.044 1.326 -7.614 1.00 0.00 C ATOM 0 H LEU A 55 25.441 -1.729 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 55 26.598 -2.084 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.492 0.382 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 55 27.278 0.136 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 55 29.284 -0.774 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.481 -0.475 -9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 55 28.165 -1.601 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.788 0.072 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 55 30.018 1.414 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU A 55 28.323 1.954 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 55 29.122 1.650 -6.576 1.00 0.00 H new ATOM 820 N ASP A 56 28.277 -3.565 -6.979 1.00 0.00 N ATOM 821 CA ASP A 56 29.372 -4.381 -6.478 1.00 0.00 C ATOM 822 C ASP A 56 30.650 -3.536 -6.480 1.00 0.00 C ATOM 823 O ASP A 56 30.857 -2.723 -7.380 1.00 0.00 O ATOM 824 CB ASP A 56 29.519 -5.624 -7.365 1.00 0.00 C ATOM 825 CG ASP A 56 30.556 -6.624 -6.835 1.00 0.00 C ATOM 826 OD1 ASP A 56 30.762 -7.647 -7.527 1.00 0.00 O ATOM 827 OD2 ASP A 56 31.130 -6.365 -5.753 1.00 0.00 O ATOM 0 H ASP A 56 27.975 -3.807 -7.923 1.00 0.00 H new ATOM 0 HA ASP A 56 29.177 -4.714 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 56 28.552 -6.121 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.803 -5.314 -8.370 1.00 0.00 H new ATOM 832 N VAL A 57 31.507 -3.721 -5.471 1.00 0.00 N ATOM 833 CA VAL A 57 32.743 -2.959 -5.350 1.00 0.00 C ATOM 834 C VAL A 57 33.635 -3.215 -6.563 1.00 0.00 C ATOM 835 O VAL A 57 34.464 -2.376 -6.905 1.00 0.00 O ATOM 836 CB VAL A 57 33.452 -3.372 -4.051 1.00 0.00 C ATOM 837 CG1 VAL A 57 34.829 -2.715 -3.942 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.617 -2.943 -2.846 1.00 0.00 C ATOM 0 H VAL A 57 31.361 -4.399 -4.723 1.00 0.00 H new ATOM 0 HA VAL A 57 32.524 -1.892 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 57 33.571 -4.455 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.308 -3.025 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.446 -3.020 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.716 -1.631 -3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.125 -3.238 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.490 -1.860 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.640 -3.423 -2.891 1.00 0.00 H new ATOM 848 N ASN A 58 33.463 -4.371 -7.214 1.00 0.00 N ATOM 849 CA ASN A 58 34.218 -4.722 -8.407 1.00 0.00 C ATOM 850 C ASN A 58 33.271 -5.190 -9.506 1.00 0.00 C ATOM 851 O ASN A 58 32.340 -5.952 -9.247 1.00 0.00 O ATOM 852 CB ASN A 58 35.243 -5.808 -8.072 1.00 0.00 C ATOM 853 CG ASN A 58 36.259 -5.332 -7.043 1.00 0.00 C ATOM 854 OD1 ASN A 58 36.810 -4.244 -7.165 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.514 -6.143 -6.025 1.00 0.00 N ATOM 0 H ASN A 58 32.795 -5.085 -6.923 1.00 0.00 H new ATOM 0 HA ASN A 58 34.752 -3.843 -8.768 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.727 -6.689 -7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.762 -6.110 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 58 37.188 -5.868 -5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.036 -7.041 -5.956 1.00 0.00 H new ATOM 862 N LEU A 59 33.514 -4.730 -10.735 1.00 0.00 N ATOM 863 CA LEU A 59 32.685 -5.061 -11.887 1.00 0.00 C ATOM 864 C LEU A 59 33.430 -6.058 -12.775 1.00 0.00 C ATOM 865 O LEU A 59 34.413 -6.662 -12.341 1.00 0.00 O ATOM 866 CB LEU A 59 32.339 -3.766 -12.635 1.00 0.00 C ATOM 867 CG LEU A 59 30.990 -3.208 -12.171 1.00 0.00 C ATOM 868 CD1 LEU A 59 30.946 -3.018 -10.655 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.760 -1.858 -12.843 1.00 0.00 C ATOM 0 H LEU A 59 34.297 -4.114 -10.956 1.00 0.00 H new ATOM 0 HA LEU A 59 31.752 -5.531 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.120 -3.025 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.308 -3.958 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 59 30.214 -3.922 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.973 -2.621 -10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.107 -3.977 -10.163 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.727 -2.320 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.802 -1.450 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.559 -1.172 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.754 -1.987 -13.925 1.00 0.00 H new ATOM 881 N ARG A 60 32.967 -6.233 -14.015 1.00 0.00 N ATOM 882 CA ARG A 60 33.550 -7.180 -14.954 1.00 0.00 C ATOM 883 C ARG A 60 35.063 -6.982 -15.040 1.00 0.00 C ATOM 884 O ARG A 60 35.544 -5.850 -15.083 1.00 0.00 O ATOM 885 CB ARG A 60 32.893 -6.979 -16.322 1.00 0.00 C ATOM 886 CG ARG A 60 33.187 -8.129 -17.294 1.00 0.00 C ATOM 887 CD ARG A 60 32.354 -9.371 -16.952 1.00 0.00 C ATOM 888 NE ARG A 60 32.941 -10.145 -15.852 1.00 0.00 N ATOM 889 CZ ARG A 60 33.937 -11.022 -15.990 1.00 0.00 C ATOM 890 NH1 ARG A 60 34.473 -11.259 -17.186 1.00 0.00 N ATOM 891 NH2 ARG A 60 34.392 -11.665 -14.921 1.00 0.00 N ATOM 0 H ARG A 60 32.173 -5.716 -14.393 1.00 0.00 H new ATOM 0 HA ARG A 60 33.371 -8.200 -14.613 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.815 -6.885 -16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 60 33.245 -6.043 -16.756 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.969 -7.811 -18.314 1.00 0.00 H new ATOM 0 HG3 ARG A 60 34.248 -8.378 -17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 60 31.344 -9.065 -16.681 1.00 0.00 H new ATOM 0 HD3 ARG A 60 32.269 -10.004 -17.835 1.00 0.00 H new ATOM 0 HE ARG A 60 32.561 -10.003 -14.916 1.00 0.00 H new ATOM 0 HH11 ARG A 60 34.122 -10.768 -18.008 1.00 0.00 H new ATOM 0 HH12 ARG A 60 35.234 -11.932 -17.280 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.980 -11.487 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 60 35.153 -12.337 -15.016 1.00 0.00 H new ATOM 905 N GLY A 61 35.812 -8.087 -15.066 1.00 0.00 N ATOM 906 CA GLY A 61 37.269 -8.043 -15.097 1.00 0.00 C ATOM 907 C GLY A 61 37.852 -7.850 -13.694 1.00 0.00 C ATOM 908 O GLY A 61 39.070 -7.808 -13.534 1.00 0.00 O ATOM 0 H GLY A 61 35.425 -9.031 -15.066 1.00 0.00 H new ATOM 0 HA2 GLY A 61 37.653 -8.967 -15.528 1.00 0.00 H new ATOM 0 HA3 GLY A 61 37.596 -7.229 -15.744 1.00 0.00 H new ATOM 912 N GLY A 62 36.988 -7.734 -12.678 1.00 0.00 N ATOM 913 CA GLY A 62 37.408 -7.591 -11.289 1.00 0.00 C ATOM 914 C GLY A 62 37.888 -6.171 -10.973 1.00 0.00 C ATOM 915 O GLY A 62 38.361 -5.917 -9.866 1.00 0.00 O ATOM 0 H GLY A 62 35.976 -7.737 -12.802 1.00 0.00 H new ATOM 0 HA2 GLY A 62 36.577 -7.846 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 62 38.210 -8.299 -11.079 1.00 0.00 H new ATOM 919 N GLU A 63 37.769 -5.250 -11.931 1.00 0.00 N ATOM 920 CA GLU A 63 38.217 -3.876 -11.748 1.00 0.00 C ATOM 921 C GLU A 63 37.218 -3.095 -10.892 1.00 0.00 C ATOM 922 O GLU A 63 36.005 -3.256 -11.044 1.00 0.00 O ATOM 923 CB GLU A 63 38.405 -3.224 -13.122 1.00 0.00 C ATOM 924 CG GLU A 63 38.930 -1.797 -12.978 1.00 0.00 C ATOM 925 CD GLU A 63 39.241 -1.164 -14.336 1.00 0.00 C ATOM 926 OE1 GLU A 63 39.132 -1.882 -15.356 1.00 0.00 O ATOM 927 OE2 GLU A 63 39.596 0.036 -14.336 1.00 0.00 O ATOM 0 H GLU A 63 37.362 -5.437 -12.847 1.00 0.00 H new ATOM 0 HA GLU A 63 39.171 -3.868 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 39.102 -3.814 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.456 -3.215 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 63 38.192 -1.190 -12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.831 -1.802 -12.365 1.00 0.00 H new ATOM 934 N LYS A 64 37.724 -2.249 -9.988 1.00 0.00 N ATOM 935 CA LYS A 64 36.884 -1.440 -9.113 1.00 0.00 C ATOM 936 C LYS A 64 36.179 -0.341 -9.908 1.00 0.00 C ATOM 937 O LYS A 64 36.678 0.087 -10.949 1.00 0.00 O ATOM 938 CB LYS A 64 37.715 -0.854 -7.962 1.00 0.00 C ATOM 939 CG LYS A 64 38.620 0.315 -8.380 1.00 0.00 C ATOM 940 CD LYS A 64 39.699 -0.101 -9.385 1.00 0.00 C ATOM 941 CE LYS A 64 40.668 1.056 -9.640 1.00 0.00 C ATOM 942 NZ LYS A 64 41.402 1.434 -8.412 1.00 0.00 N ATOM 0 H LYS A 64 38.724 -2.110 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 64 36.115 -2.079 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 64 37.040 -0.515 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.332 -1.644 -7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 64 38.008 1.104 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 64 39.097 0.734 -7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 64 40.246 -0.964 -9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 64 39.233 -0.407 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 64 41.379 0.772 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 64 40.116 1.918 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 42.262 1.959 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 40.796 2.033 -7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 41.665 0.576 -7.887 1.00 0.00 H new ATOM 956 N SER A 65 35.025 0.118 -9.419 1.00 0.00 N ATOM 957 CA SER A 65 34.239 1.132 -10.104 1.00 0.00 C ATOM 958 C SER A 65 33.397 1.937 -9.119 1.00 0.00 C ATOM 959 O SER A 65 32.783 1.374 -8.214 1.00 0.00 O ATOM 960 CB SER A 65 33.327 0.462 -11.132 1.00 0.00 C ATOM 961 OG SER A 65 34.080 0.011 -12.235 1.00 0.00 O ATOM 0 H SER A 65 34.616 -0.204 -8.542 1.00 0.00 H new ATOM 0 HA SER A 65 34.924 1.817 -10.604 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.805 -0.377 -10.672 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.566 1.167 -11.467 1.00 0.00 H new ATOM 0 HG SER A 65 35.036 0.105 -12.039 1.00 0.00 H new ATOM 967 N THR A 66 33.373 3.259 -9.306 1.00 0.00 N ATOM 968 CA THR A 66 32.505 4.169 -8.567 1.00 0.00 C ATOM 969 C THR A 66 31.846 5.289 -9.390 1.00 0.00 C ATOM 970 O THR A 66 31.242 6.179 -8.795 1.00 0.00 O ATOM 971 CB THR A 66 33.239 4.774 -7.363 1.00 0.00 C ATOM 972 OG1 THR A 66 34.000 5.883 -7.791 1.00 0.00 O ATOM 973 CG2 THR A 66 34.159 3.778 -6.662 1.00 0.00 C ATOM 0 H THR A 66 33.967 3.731 -9.987 1.00 0.00 H new ATOM 0 HA THR A 66 31.682 3.533 -8.239 1.00 0.00 H new ATOM 0 HB THR A 66 32.478 5.073 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.469 6.273 -7.024 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.649 4.266 -5.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 33.573 2.933 -6.301 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.913 3.423 -7.364 1.00 0.00 H new ATOM 981 N PRO A 67 31.923 5.297 -10.734 1.00 0.00 N ATOM 982 CA PRO A 67 31.424 6.413 -11.521 1.00 0.00 C ATOM 983 C PRO A 67 29.905 6.495 -11.422 1.00 0.00 C ATOM 984 O PRO A 67 29.325 7.549 -11.673 1.00 0.00 O ATOM 985 CB PRO A 67 31.865 6.134 -12.961 1.00 0.00 C ATOM 986 CG PRO A 67 32.005 4.618 -13.007 1.00 0.00 C ATOM 987 CD PRO A 67 32.459 4.260 -11.597 1.00 0.00 C ATOM 0 HA PRO A 67 31.813 7.367 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.129 6.490 -13.682 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.807 6.631 -13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 67 31.061 4.135 -13.259 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.733 4.305 -13.755 1.00 0.00 H new ATOM 0 HD2 PRO A 67 32.088 3.278 -11.304 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.547 4.222 -11.534 1.00 0.00 H new ATOM 995 N VAL A 68 29.259 5.384 -11.057 1.00 0.00 N ATOM 996 CA VAL A 68 27.810 5.329 -10.949 1.00 0.00 C ATOM 997 C VAL A 68 27.305 5.693 -9.561 1.00 0.00 C ATOM 998 O VAL A 68 26.305 6.387 -9.439 1.00 0.00 O ATOM 999 CB VAL A 68 27.288 3.958 -11.401 1.00 0.00 C ATOM 1000 CG1 VAL A 68 28.037 3.482 -12.642 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.448 2.896 -10.323 1.00 0.00 C ATOM 0 H VAL A 68 29.727 4.507 -10.831 1.00 0.00 H new ATOM 0 HA VAL A 68 27.410 6.089 -11.620 1.00 0.00 H new ATOM 0 HB VAL A 68 26.228 4.090 -11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.653 2.509 -12.948 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.894 4.199 -13.451 1.00 0.00 H new ATOM 0 HG13 VAL A 68 29.100 3.398 -12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 68 27.064 1.944 -10.690 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.503 2.789 -10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.891 3.193 -9.434 1.00 0.00 H new ATOM 1011 N ALA A 69 27.991 5.240 -8.508 1.00 0.00 N ATOM 1012 CA ALA A 69 27.546 5.501 -7.149 1.00 0.00 C ATOM 1013 C ALA A 69 27.627 6.995 -6.844 1.00 0.00 C ATOM 1014 O ALA A 69 26.885 7.509 -6.009 1.00 0.00 O ATOM 1015 CB ALA A 69 28.419 4.703 -6.191 1.00 0.00 C ATOM 0 H ALA A 69 28.850 4.695 -8.576 1.00 0.00 H new ATOM 0 HA ALA A 69 26.506 5.195 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 69 28.098 4.888 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.326 3.640 -6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.459 5.009 -6.306 1.00 0.00 H new ATOM 1021 N GLU A 70 28.535 7.690 -7.532 1.00 0.00 N ATOM 1022 CA GLU A 70 28.651 9.137 -7.437 1.00 0.00 C ATOM 1023 C GLU A 70 27.514 9.808 -8.210 1.00 0.00 C ATOM 1024 O GLU A 70 27.137 10.936 -7.898 1.00 0.00 O ATOM 1025 CB GLU A 70 30.009 9.564 -7.998 1.00 0.00 C ATOM 1026 CG GLU A 70 31.160 9.040 -7.127 1.00 0.00 C ATOM 1027 CD GLU A 70 31.246 9.750 -5.774 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.090 9.321 -4.958 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.473 10.712 -5.561 1.00 0.00 O ATOM 0 H GLU A 70 29.207 7.262 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 70 28.579 9.445 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.119 9.188 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.057 10.652 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.029 7.970 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.102 9.168 -7.661 1.00 0.00 H new ATOM 1036 N ALA A 71 26.966 9.113 -9.215 1.00 0.00 N ATOM 1037 CA ALA A 71 25.842 9.614 -9.992 1.00 0.00 C ATOM 1038 C ALA A 71 24.519 9.369 -9.261 1.00 0.00 C ATOM 1039 O ALA A 71 23.586 10.155 -9.409 1.00 0.00 O ATOM 1040 CB ALA A 71 25.836 8.946 -11.367 1.00 0.00 C ATOM 0 H ALA A 71 27.293 8.192 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 71 25.951 10.691 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 71 24.994 9.321 -11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.767 9.174 -11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.742 7.867 -11.247 1.00 0.00 H new ATOM 1046 N LEU A 72 24.434 8.292 -8.469 1.00 0.00 N ATOM 1047 CA LEU A 72 23.263 8.056 -7.633 1.00 0.00 C ATOM 1048 C LEU A 72 23.205 9.135 -6.552 1.00 0.00 C ATOM 1049 O LEU A 72 22.123 9.556 -6.149 1.00 0.00 O ATOM 1050 CB LEU A 72 23.366 6.666 -6.985 1.00 0.00 C ATOM 1051 CG LEU A 72 22.776 5.531 -7.838 1.00 0.00 C ATOM 1052 CD1 LEU A 72 21.261 5.667 -7.960 1.00 0.00 C ATOM 1053 CD2 LEU A 72 23.360 5.472 -9.242 1.00 0.00 C ATOM 0 H LEU A 72 25.159 7.579 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 72 22.357 8.096 -8.238 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.415 6.447 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.854 6.687 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 72 23.039 4.611 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 72 20.870 4.851 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 20.811 5.628 -6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 72 21.018 6.619 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.902 4.650 -9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.160 6.411 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 72 24.437 5.313 -9.182 1.00 0.00 H new ATOM 1065 N ALA A 73 24.374 9.590 -6.083 1.00 0.00 N ATOM 1066 CA ALA A 73 24.445 10.646 -5.085 1.00 0.00 C ATOM 1067 C ALA A 73 24.152 12.006 -5.716 1.00 0.00 C ATOM 1068 O ALA A 73 23.655 12.905 -5.040 1.00 0.00 O ATOM 1069 CB ALA A 73 25.836 10.630 -4.451 1.00 0.00 C ATOM 0 H ALA A 73 25.282 9.237 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 73 23.693 10.473 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.903 11.417 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.010 9.663 -3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.589 10.798 -5.221 1.00 0.00 H new ATOM 1075 N ALA A 74 24.457 12.166 -7.008 1.00 0.00 N ATOM 1076 CA ALA A 74 24.195 13.407 -7.719 1.00 0.00 C ATOM 1077 C ALA A 74 22.709 13.523 -8.057 1.00 0.00 C ATOM 1078 O ALA A 74 22.159 14.624 -8.079 1.00 0.00 O ATOM 1079 CB ALA A 74 25.022 13.423 -9.002 1.00 0.00 C ATOM 0 H ALA A 74 24.889 11.441 -7.581 1.00 0.00 H new ATOM 0 HA ALA A 74 24.471 14.252 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.834 14.350 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.081 13.357 -8.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.742 12.574 -9.626 1.00 0.00 H new ATOM 1085 N ARG A 75 22.065 12.385 -8.315 1.00 0.00 N ATOM 1086 CA ARG A 75 20.638 12.320 -8.622 1.00 0.00 C ATOM 1087 C ARG A 75 19.795 12.227 -7.350 1.00 0.00 C ATOM 1088 O ARG A 75 18.575 12.112 -7.424 1.00 0.00 O ATOM 1089 CB ARG A 75 20.377 11.139 -9.554 1.00 0.00 C ATOM 1090 CG ARG A 75 20.889 11.468 -10.958 1.00 0.00 C ATOM 1091 CD ARG A 75 20.771 10.246 -11.865 1.00 0.00 C ATOM 1092 NE ARG A 75 20.853 10.636 -13.279 1.00 0.00 N ATOM 1093 CZ ARG A 75 19.800 11.036 -14.001 1.00 0.00 C ATOM 1094 NH1 ARG A 75 18.589 11.093 -13.454 1.00 0.00 N ATOM 1095 NH2 ARG A 75 19.960 11.381 -15.275 1.00 0.00 N ATOM 0 H ARG A 75 22.524 11.474 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 75 20.342 13.240 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.875 10.247 -9.175 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.310 10.919 -9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.317 12.296 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 75 21.928 11.792 -10.907 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.565 9.537 -11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.825 9.738 -11.677 1.00 0.00 H new ATOM 0 HE ARG A 75 21.764 10.600 -13.736 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.458 10.831 -12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.792 11.399 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.885 11.341 -15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.157 11.686 -15.825 1.00 0.00 H new ATOM 1109 N ASP A 76 20.450 12.277 -6.184 1.00 0.00 N ATOM 1110 CA ASP A 76 19.785 12.221 -4.892 1.00 0.00 C ATOM 1111 C ASP A 76 18.865 10.996 -4.788 1.00 0.00 C ATOM 1112 O ASP A 76 17.708 11.102 -4.384 1.00 0.00 O ATOM 1113 CB ASP A 76 19.063 13.547 -4.627 1.00 0.00 C ATOM 1114 CG ASP A 76 18.353 13.566 -3.272 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.372 14.333 -3.150 1.00 0.00 O ATOM 1116 OD2 ASP A 76 18.799 12.815 -2.375 1.00 0.00 O ATOM 0 H ASP A 76 21.465 12.358 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 76 20.529 12.093 -4.106 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.784 14.364 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.334 13.725 -5.418 1.00 0.00 H new ATOM 1121 N ILE A 77 19.388 9.823 -5.166 1.00 0.00 N ATOM 1122 CA ILE A 77 18.655 8.567 -5.073 1.00 0.00 C ATOM 1123 C ILE A 77 19.463 7.560 -4.256 1.00 0.00 C ATOM 1124 O ILE A 77 20.692 7.592 -4.289 1.00 0.00 O ATOM 1125 CB ILE A 77 18.319 8.017 -6.468 1.00 0.00 C ATOM 1126 CG1 ILE A 77 19.319 8.482 -7.533 1.00 0.00 C ATOM 1127 CG2 ILE A 77 16.924 8.500 -6.865 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.940 7.949 -8.918 1.00 0.00 C ATOM 0 H ILE A 77 20.330 9.724 -5.544 1.00 0.00 H new ATOM 0 HA ILE A 77 17.708 8.748 -4.564 1.00 0.00 H new ATOM 0 HB ILE A 77 18.365 6.929 -6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 77 19.350 9.571 -7.556 1.00 0.00 H new ATOM 0 HG13 ILE A 77 20.320 8.140 -7.270 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.674 8.116 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.194 8.139 -6.140 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.908 9.590 -6.884 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.667 8.295 -9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.934 6.859 -8.899 1.00 0.00 H new ATOM 0 HD13 ILE A 77 17.949 8.313 -9.189 1.00 0.00 H new ATOM 1140 N PRO A 78 18.788 6.662 -3.518 1.00 0.00 N ATOM 1141 CA PRO A 78 19.431 5.693 -2.648 1.00 0.00 C ATOM 1142 C PRO A 78 20.299 4.709 -3.426 1.00 0.00 C ATOM 1143 O PRO A 78 20.085 4.484 -4.618 1.00 0.00 O ATOM 1144 CB PRO A 78 18.299 4.961 -1.926 1.00 0.00 C ATOM 1145 CG PRO A 78 17.072 5.850 -2.116 1.00 0.00 C ATOM 1146 CD PRO A 78 17.349 6.550 -3.439 1.00 0.00 C ATOM 0 HA PRO A 78 20.103 6.193 -1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.137 3.969 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.528 4.824 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.153 5.265 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.961 6.563 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.953 5.977 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.876 7.531 -3.471 1.00 0.00 H new ATOM 1154 N PHE A 79 21.284 4.123 -2.741 1.00 0.00 N ATOM 1155 CA PHE A 79 22.157 3.125 -3.336 1.00 0.00 C ATOM 1156 C PHE A 79 22.693 2.146 -2.296 1.00 0.00 C ATOM 1157 O PHE A 79 22.973 2.537 -1.162 1.00 0.00 O ATOM 1158 CB PHE A 79 23.293 3.806 -4.110 1.00 0.00 C ATOM 1159 CG PHE A 79 24.062 4.835 -3.310 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.626 6.170 -3.272 1.00 0.00 C ATOM 1161 CD2 PHE A 79 25.215 4.458 -2.609 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.347 7.123 -2.540 1.00 0.00 C ATOM 1163 CE2 PHE A 79 25.934 5.412 -1.875 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.501 6.746 -1.845 1.00 0.00 C ATOM 0 H PHE A 79 21.493 4.330 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 79 21.567 2.538 -4.040 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.987 3.042 -4.460 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.876 4.288 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.735 6.462 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.550 3.432 -2.634 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.011 8.149 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 79 26.821 5.120 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.059 7.482 -1.285 1.00 0.00 H new ATOM 1174 N VAL A 80 22.837 0.875 -2.681 1.00 0.00 N ATOM 1175 CA VAL A 80 23.441 -0.139 -1.821 1.00 0.00 C ATOM 1176 C VAL A 80 24.706 -0.661 -2.483 1.00 0.00 C ATOM 1177 O VAL A 80 24.766 -0.775 -3.703 1.00 0.00 O ATOM 1178 CB VAL A 80 22.468 -1.303 -1.583 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.115 -2.368 -0.707 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.210 -0.849 -0.861 1.00 0.00 C ATOM 0 H VAL A 80 22.540 0.524 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 80 23.679 0.312 -0.858 1.00 0.00 H new ATOM 0 HB VAL A 80 22.214 -1.696 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.412 -3.185 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 80 24.010 -2.750 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.387 -1.932 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.548 -1.702 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.479 -0.425 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.700 -0.094 -1.459 1.00 0.00 H new ATOM 1190 N PHE A 81 25.722 -0.986 -1.683 1.00 0.00 N ATOM 1191 CA PHE A 81 26.894 -1.672 -2.189 1.00 0.00 C ATOM 1192 C PHE A 81 26.826 -3.182 -2.035 1.00 0.00 C ATOM 1193 O PHE A 81 26.098 -3.684 -1.184 1.00 0.00 O ATOM 1194 CB PHE A 81 28.182 -1.060 -1.641 1.00 0.00 C ATOM 1195 CG PHE A 81 28.604 0.181 -2.391 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.050 1.425 -2.063 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.551 0.086 -3.423 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.446 2.571 -2.762 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.963 1.237 -4.103 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.410 2.482 -3.772 1.00 0.00 C ATOM 0 H PHE A 81 25.750 -0.782 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 81 26.908 -1.512 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.043 -0.813 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 81 28.981 -1.800 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.318 1.500 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.962 -0.876 -3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.006 3.527 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.707 1.167 -4.883 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.728 3.371 -4.296 1.00 0.00 H new ATOM 1210 N ALA A 82 27.583 -3.910 -2.854 1.00 0.00 N ATOM 1211 CA ALA A 82 27.636 -5.356 -2.779 1.00 0.00 C ATOM 1212 C ALA A 82 29.090 -5.809 -2.706 1.00 0.00 C ATOM 1213 O ALA A 82 29.964 -5.200 -3.321 1.00 0.00 O ATOM 1214 CB ALA A 82 26.900 -5.972 -3.969 1.00 0.00 C ATOM 0 H ALA A 82 28.172 -3.509 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 82 27.133 -5.700 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 82 26.946 -7.059 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 82 25.858 -5.652 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.370 -5.645 -4.896 1.00 0.00 H new ATOM 1220 N THR A 83 29.348 -6.878 -1.955 1.00 0.00 N ATOM 1221 CA THR A 83 30.687 -7.415 -1.777 1.00 0.00 C ATOM 1222 C THR A 83 30.726 -8.938 -1.776 1.00 0.00 C ATOM 1223 O THR A 83 29.681 -9.589 -1.844 1.00 0.00 O ATOM 1224 CB THR A 83 31.375 -6.838 -0.532 1.00 0.00 C ATOM 1225 OG1 THR A 83 31.142 -7.690 0.566 1.00 0.00 O ATOM 1226 CG2 THR A 83 30.878 -5.441 -0.175 1.00 0.00 C ATOM 0 H THR A 83 28.627 -7.396 -1.452 1.00 0.00 H new ATOM 0 HA THR A 83 31.254 -7.093 -2.650 1.00 0.00 H new ATOM 0 HB THR A 83 32.438 -6.765 -0.761 1.00 0.00 H new ATOM 0 HG1 THR A 83 31.441 -7.251 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.400 -5.085 0.713 1.00 0.00 H new ATOM 0 HG22 THR A 83 31.071 -4.763 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 83 29.807 -5.476 0.023 1.00 0.00 H new ATOM 1234 N GLY A 84 31.933 -9.503 -1.694 1.00 0.00 N ATOM 1235 CA GLY A 84 32.118 -10.941 -1.579 1.00 0.00 C ATOM 1236 C GLY A 84 32.965 -11.276 -0.355 1.00 0.00 C ATOM 1237 O GLY A 84 33.180 -10.428 0.511 1.00 0.00 O ATOM 0 H GLY A 84 32.804 -8.973 -1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.148 -11.433 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.600 -11.324 -2.478 1.00 0.00 H new ATOM 1241 N GLY A 85 33.450 -12.518 -0.282 1.00 0.00 N ATOM 1242 CA GLY A 85 34.197 -13.009 0.868 1.00 0.00 C ATOM 1243 C GLY A 85 35.569 -12.340 1.007 1.00 0.00 C ATOM 1244 O GLY A 85 36.238 -12.531 2.023 1.00 0.00 O ATOM 0 H GLY A 85 33.333 -13.209 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 85 33.618 -12.834 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 85 34.330 -14.087 0.777 1.00 0.00 H new ATOM 1248 N SER A 86 35.989 -11.569 -0.002 1.00 0.00 N ATOM 1249 CA SER A 86 37.279 -10.892 0.013 1.00 0.00 C ATOM 1250 C SER A 86 37.185 -9.489 -0.589 1.00 0.00 C ATOM 1251 O SER A 86 38.198 -8.798 -0.703 1.00 0.00 O ATOM 1252 CB SER A 86 38.309 -11.728 -0.747 1.00 0.00 C ATOM 1253 OG SER A 86 38.501 -12.967 -0.092 1.00 0.00 O ATOM 0 H SER A 86 35.442 -11.401 -0.847 1.00 0.00 H new ATOM 0 HA SER A 86 37.594 -10.783 1.051 1.00 0.00 H new ATOM 0 HB2 SER A 86 37.971 -11.896 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 86 39.254 -11.189 -0.808 1.00 0.00 H new ATOM 0 HG SER A 86 39.161 -13.499 -0.585 1.00 0.00 H new ATOM 1259 N ASP A 87 35.975 -9.066 -0.975 1.00 0.00 N ATOM 1260 CA ASP A 87 35.757 -7.768 -1.604 1.00 0.00 C ATOM 1261 C ASP A 87 35.045 -6.770 -0.689 1.00 0.00 C ATOM 1262 O ASP A 87 34.603 -5.718 -1.143 1.00 0.00 O ATOM 1263 CB ASP A 87 35.039 -7.932 -2.948 1.00 0.00 C ATOM 1264 CG ASP A 87 35.925 -8.577 -4.017 1.00 0.00 C ATOM 1265 OD1 ASP A 87 37.063 -8.969 -3.683 1.00 0.00 O ATOM 1266 OD2 ASP A 87 35.442 -8.669 -5.167 1.00 0.00 O ATOM 0 H ASP A 87 35.124 -9.617 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 87 36.740 -7.337 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 87 34.146 -8.541 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 87 34.706 -6.955 -3.299 1.00 0.00 H new ATOM 1271 N ASP A 88 34.930 -7.101 0.602 1.00 0.00 N ATOM 1272 CA ASP A 88 34.247 -6.261 1.579 1.00 0.00 C ATOM 1273 C ASP A 88 35.027 -4.982 1.907 1.00 0.00 C ATOM 1274 O ASP A 88 34.694 -4.272 2.855 1.00 0.00 O ATOM 1275 CB ASP A 88 33.912 -7.064 2.844 1.00 0.00 C ATOM 1276 CG ASP A 88 35.125 -7.778 3.446 1.00 0.00 C ATOM 1277 OD1 ASP A 88 34.904 -8.591 4.371 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.259 -7.508 2.987 1.00 0.00 O ATOM 0 H ASP A 88 35.311 -7.962 0.995 1.00 0.00 H new ATOM 0 HA ASP A 88 33.311 -5.934 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 88 33.487 -6.393 3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.146 -7.802 2.606 1.00 0.00 H new ATOM 1283 N SER A 89 36.065 -4.695 1.117 1.00 0.00 N ATOM 1284 CA SER A 89 36.908 -3.520 1.284 1.00 0.00 C ATOM 1285 C SER A 89 36.279 -2.280 0.641 1.00 0.00 C ATOM 1286 O SER A 89 36.993 -1.445 0.083 1.00 0.00 O ATOM 1287 CB SER A 89 38.291 -3.803 0.698 1.00 0.00 C ATOM 1288 OG SER A 89 38.193 -4.050 -0.688 1.00 0.00 O ATOM 0 H SER A 89 36.343 -5.285 0.333 1.00 0.00 H new ATOM 0 HA SER A 89 37.006 -3.308 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 89 38.950 -2.954 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 89 38.736 -4.664 1.197 1.00 0.00 H new ATOM 0 HG SER A 89 39.085 -4.228 -1.052 1.00 0.00 H new ATOM 1294 N VAL A 90 34.950 -2.150 0.708 1.00 0.00 N ATOM 1295 CA VAL A 90 34.251 -1.007 0.134 1.00 0.00 C ATOM 1296 C VAL A 90 34.818 0.268 0.768 1.00 0.00 C ATOM 1297 O VAL A 90 35.124 0.300 1.961 1.00 0.00 O ATOM 1298 CB VAL A 90 32.735 -1.150 0.366 1.00 0.00 C ATOM 1299 CG1 VAL A 90 32.409 -1.602 1.788 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.012 0.167 0.092 1.00 0.00 C ATOM 0 H VAL A 90 34.338 -2.830 1.158 1.00 0.00 H new ATOM 0 HA VAL A 90 34.403 -0.956 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 90 32.390 -1.914 -0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 90 31.329 -1.689 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 90 32.873 -2.570 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 90 32.792 -0.870 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 90 30.943 0.038 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.396 0.939 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.180 0.466 -0.943 1.00 0.00 H new ATOM 1310 N ASP A 91 34.957 1.316 -0.050 1.00 0.00 N ATOM 1311 CA ASP A 91 35.673 2.534 0.314 1.00 0.00 C ATOM 1312 C ASP A 91 34.908 3.299 1.397 1.00 0.00 C ATOM 1313 O ASP A 91 33.687 3.187 1.505 1.00 0.00 O ATOM 1314 CB ASP A 91 35.802 3.404 -0.944 1.00 0.00 C ATOM 1315 CG ASP A 91 36.836 4.518 -0.780 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.583 4.478 0.224 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.868 5.398 -1.666 1.00 0.00 O ATOM 0 H ASP A 91 34.570 1.339 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 91 36.658 2.282 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.080 2.775 -1.790 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.833 3.844 -1.179 1.00 0.00 H new ATOM 1322 N SER A 92 35.636 4.088 2.196 1.00 0.00 N ATOM 1323 CA SER A 92 35.055 4.908 3.250 1.00 0.00 C ATOM 1324 C SER A 92 34.153 5.991 2.660 1.00 0.00 C ATOM 1325 O SER A 92 33.360 6.601 3.379 1.00 0.00 O ATOM 1326 CB SER A 92 36.177 5.537 4.076 1.00 0.00 C ATOM 1327 OG SER A 92 36.933 6.420 3.272 1.00 0.00 O ATOM 0 H SER A 92 36.650 4.172 2.124 1.00 0.00 H new ATOM 0 HA SER A 92 34.441 4.278 3.894 1.00 0.00 H new ATOM 0 HB2 SER A 92 35.756 6.075 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 92 36.823 4.758 4.481 1.00 0.00 H new ATOM 0 HG SER A 92 37.649 6.820 3.809 1.00 0.00 H new ATOM 1333 N ARG A 93 34.273 6.231 1.350 1.00 0.00 N ATOM 1334 CA ARG A 93 33.432 7.165 0.620 1.00 0.00 C ATOM 1335 C ARG A 93 31.977 6.693 0.607 1.00 0.00 C ATOM 1336 O ARG A 93 31.078 7.477 0.310 1.00 0.00 O ATOM 1337 CB ARG A 93 33.999 7.284 -0.804 1.00 0.00 C ATOM 1338 CG ARG A 93 33.088 8.049 -1.771 1.00 0.00 C ATOM 1339 CD ARG A 93 32.874 9.494 -1.327 1.00 0.00 C ATOM 1340 NE ARG A 93 32.037 10.204 -2.301 1.00 0.00 N ATOM 1341 CZ ARG A 93 31.169 11.169 -1.988 1.00 0.00 C ATOM 1342 NH1 ARG A 93 31.038 11.584 -0.730 1.00 0.00 N ATOM 1343 NH2 ARG A 93 30.431 11.721 -2.946 1.00 0.00 N ATOM 0 H ARG A 93 34.970 5.771 0.765 1.00 0.00 H new ATOM 0 HA ARG A 93 33.436 8.142 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.967 7.784 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.175 6.284 -1.200 1.00 0.00 H new ATOM 0 HG2 ARG A 93 33.526 8.037 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.125 7.544 -1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 93 32.400 9.514 -0.346 1.00 0.00 H new ATOM 0 HD3 ARG A 93 33.835 9.998 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 93 32.124 9.943 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 93 31.604 11.164 0.007 1.00 0.00 H new ATOM 0 HH12 ARG A 93 30.371 12.322 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 93 30.530 11.407 -3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 93 29.765 12.459 -2.716 1.00 0.00 H new ATOM 1357 N PHE A 94 31.739 5.415 0.928 1.00 0.00 N ATOM 1358 CA PHE A 94 30.412 4.831 0.819 1.00 0.00 C ATOM 1359 C PHE A 94 30.014 4.069 2.086 1.00 0.00 C ATOM 1360 O PHE A 94 28.959 3.437 2.114 1.00 0.00 O ATOM 1361 CB PHE A 94 30.385 3.913 -0.400 1.00 0.00 C ATOM 1362 CG PHE A 94 30.762 4.616 -1.688 1.00 0.00 C ATOM 1363 CD1 PHE A 94 29.884 5.548 -2.260 1.00 0.00 C ATOM 1364 CD2 PHE A 94 31.995 4.345 -2.303 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.235 6.202 -3.449 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.345 5.005 -3.489 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.466 5.933 -4.062 1.00 0.00 C ATOM 0 H PHE A 94 32.455 4.771 1.265 1.00 0.00 H new ATOM 0 HA PHE A 94 29.683 5.632 0.700 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.069 3.081 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.386 3.489 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 94 28.938 5.762 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.673 3.629 -1.863 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.556 6.914 -3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.294 4.798 -3.962 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.737 6.441 -4.976 1.00 0.00 H new ATOM 1377 N ARG A 95 30.843 4.122 3.133 1.00 0.00 N ATOM 1378 CA ARG A 95 30.549 3.445 4.393 1.00 0.00 C ATOM 1379 C ARG A 95 29.336 4.054 5.097 1.00 0.00 C ATOM 1380 O ARG A 95 28.801 3.460 6.029 1.00 0.00 O ATOM 1381 CB ARG A 95 31.776 3.513 5.304 1.00 0.00 C ATOM 1382 CG ARG A 95 32.890 2.592 4.810 1.00 0.00 C ATOM 1383 CD ARG A 95 32.538 1.119 5.009 1.00 0.00 C ATOM 1384 NE ARG A 95 33.638 0.264 4.548 1.00 0.00 N ATOM 1385 CZ ARG A 95 34.057 -0.837 5.181 1.00 0.00 C ATOM 1386 NH1 ARG A 95 33.476 -1.237 6.309 1.00 0.00 N ATOM 1387 NH2 ARG A 95 35.064 -1.541 4.675 1.00 0.00 N ATOM 0 H ARG A 95 31.727 4.631 3.129 1.00 0.00 H new ATOM 0 HA ARG A 95 30.308 2.405 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.142 4.539 5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 95 31.493 3.233 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 95 33.076 2.782 3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.813 2.820 5.342 1.00 0.00 H new ATOM 0 HD2 ARG A 95 32.336 0.926 6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 95 31.627 0.879 4.460 1.00 0.00 H new ATOM 0 HE ARG A 95 34.116 0.527 3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 95 32.701 -0.702 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 95 33.805 -2.079 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 95 35.512 -1.241 3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 95 35.389 -2.382 5.152 1.00 0.00 H new ATOM 1401 N ASP A 96 28.899 5.239 4.653 1.00 0.00 N ATOM 1402 CA ASP A 96 27.707 5.880 5.194 1.00 0.00 C ATOM 1403 C ASP A 96 26.424 5.228 4.690 1.00 0.00 C ATOM 1404 O ASP A 96 25.353 5.454 5.248 1.00 0.00 O ATOM 1405 CB ASP A 96 27.720 7.373 4.865 1.00 0.00 C ATOM 1406 CG ASP A 96 28.856 8.121 5.569 1.00 0.00 C ATOM 1407 OD1 ASP A 96 29.558 7.489 6.390 1.00 0.00 O ATOM 1408 OD2 ASP A 96 29.006 9.327 5.271 1.00 0.00 O ATOM 0 H ASP A 96 29.361 5.771 3.916 1.00 0.00 H new ATOM 0 HA ASP A 96 27.725 5.751 6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 96 27.817 7.503 3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 96 26.766 7.813 5.154 1.00 0.00 H new ATOM 1413 N ARG A 97 26.531 4.418 3.633 1.00 0.00 N ATOM 1414 CA ARG A 97 25.410 3.683 3.056 1.00 0.00 C ATOM 1415 C ARG A 97 25.553 2.203 3.417 1.00 0.00 C ATOM 1416 O ARG A 97 26.651 1.749 3.740 1.00 0.00 O ATOM 1417 CB ARG A 97 25.390 3.893 1.534 1.00 0.00 C ATOM 1418 CG ARG A 97 24.189 4.733 1.075 1.00 0.00 C ATOM 1419 CD ARG A 97 24.294 6.194 1.521 1.00 0.00 C ATOM 1420 NE ARG A 97 24.008 6.345 2.953 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.826 6.707 3.461 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.791 6.970 2.670 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.686 6.806 4.779 1.00 0.00 N ATOM 0 H ARG A 97 27.414 4.254 3.149 1.00 0.00 H new ATOM 0 HA ARG A 97 24.464 4.047 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 97 26.313 4.384 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.363 2.924 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 97 24.115 4.692 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 97 23.272 4.299 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 97 25.295 6.569 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.597 6.802 0.944 1.00 0.00 H new ATOM 0 HE ARG A 97 24.767 6.160 3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 97 21.891 6.897 1.658 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.896 7.245 3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.476 6.607 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.788 7.082 5.177 1.00 0.00 H new ATOM 1437 N PRO A 98 24.454 1.441 3.369 1.00 0.00 N ATOM 1438 CA PRO A 98 24.450 0.033 3.719 1.00 0.00 C ATOM 1439 C PRO A 98 25.147 -0.772 2.631 1.00 0.00 C ATOM 1440 O PRO A 98 25.375 -0.277 1.528 1.00 0.00 O ATOM 1441 CB PRO A 98 22.980 -0.350 3.849 1.00 0.00 C ATOM 1442 CG PRO A 98 22.267 0.634 2.919 1.00 0.00 C ATOM 1443 CD PRO A 98 23.138 1.887 2.959 1.00 0.00 C ATOM 0 HA PRO A 98 24.986 -0.170 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.807 -1.383 3.548 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.630 -0.255 4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.186 0.238 1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.254 0.843 3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.175 2.368 1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.737 2.619 3.660 1.00 0.00 H new ATOM 1451 N VAL A 99 25.488 -2.025 2.946 1.00 0.00 N ATOM 1452 CA VAL A 99 26.206 -2.867 2.008 1.00 0.00 C ATOM 1453 C VAL A 99 25.842 -4.325 2.246 1.00 0.00 C ATOM 1454 O VAL A 99 25.872 -4.807 3.376 1.00 0.00 O ATOM 1455 CB VAL A 99 27.713 -2.626 2.171 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.163 -2.754 3.630 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.512 -3.622 1.333 1.00 0.00 C ATOM 0 H VAL A 99 25.276 -2.469 3.840 1.00 0.00 H new ATOM 0 HA VAL A 99 25.927 -2.618 0.984 1.00 0.00 H new ATOM 0 HB VAL A 99 27.901 -1.607 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.236 -2.575 3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.635 -2.021 4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.939 -3.757 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.578 -3.434 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.281 -4.637 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.249 -3.507 0.282 1.00 0.00 H new ATOM 1467 N LEU A 100 25.499 -5.017 1.159 1.00 0.00 N ATOM 1468 CA LEU A 100 25.298 -6.456 1.151 1.00 0.00 C ATOM 1469 C LEU A 100 26.621 -7.145 0.813 1.00 0.00 C ATOM 1470 O LEU A 100 27.485 -6.550 0.173 1.00 0.00 O ATOM 1471 CB LEU A 100 24.210 -6.811 0.133 1.00 0.00 C ATOM 1472 CG LEU A 100 22.862 -6.175 0.490 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.867 -6.462 -0.632 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.316 -6.770 1.790 1.00 0.00 C ATOM 0 H LEU A 100 25.352 -4.582 0.248 1.00 0.00 H new ATOM 0 HA LEU A 100 24.971 -6.800 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.518 -6.477 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 100 24.098 -7.894 0.084 1.00 0.00 H new ATOM 0 HG LEU A 100 23.002 -5.102 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.904 -6.014 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.238 -6.038 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.747 -7.539 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.358 -6.307 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.179 -7.845 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 100 23.021 -6.583 2.600 1.00 0.00 H new ATOM 1486 N GLN A 101 26.789 -8.398 1.240 1.00 0.00 N ATOM 1487 CA GLN A 101 28.027 -9.137 1.016 1.00 0.00 C ATOM 1488 C GLN A 101 27.725 -10.606 0.702 1.00 0.00 C ATOM 1489 O GLN A 101 26.980 -10.889 -0.234 1.00 0.00 O ATOM 1490 CB GLN A 101 28.992 -8.935 2.199 1.00 0.00 C ATOM 1491 CG GLN A 101 28.348 -9.208 3.566 1.00 0.00 C ATOM 1492 CD GLN A 101 27.368 -8.117 3.978 1.00 0.00 C ATOM 1493 OE1 GLN A 101 26.249 -8.409 4.392 1.00 0.00 O ATOM 1494 NE2 GLN A 101 27.777 -6.857 3.865 1.00 0.00 N ATOM 0 H GLN A 101 26.076 -8.923 1.746 1.00 0.00 H new ATOM 0 HA GLN A 101 28.540 -8.744 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 101 29.852 -9.593 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 101 29.368 -7.912 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 101 27.828 -10.166 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 101 29.129 -9.294 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 101 28.714 -6.654 3.517 1.00 0.00 H new ATOM 0 HE22 GLN A 101 27.154 -6.093 4.126 1.00 0.00 H new ATOM 1503 N LYS A 102 28.298 -11.533 1.476 1.00 0.00 N ATOM 1504 CA LYS A 102 28.019 -12.963 1.363 1.00 0.00 C ATOM 1505 C LYS A 102 26.505 -13.221 1.387 1.00 0.00 C ATOM 1506 O LYS A 102 25.740 -12.331 1.757 1.00 0.00 O ATOM 1507 CB LYS A 102 28.779 -13.717 2.472 1.00 0.00 C ATOM 1508 CG LYS A 102 28.679 -13.071 3.862 1.00 0.00 C ATOM 1509 CD LYS A 102 27.248 -13.067 4.408 1.00 0.00 C ATOM 1510 CE LYS A 102 27.222 -12.580 5.855 1.00 0.00 C ATOM 1511 NZ LYS A 102 27.992 -13.475 6.740 1.00 0.00 N ATOM 0 H LYS A 102 28.975 -11.307 2.205 1.00 0.00 H new ATOM 0 HA LYS A 102 28.375 -13.342 0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 102 28.396 -14.736 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.830 -13.787 2.192 1.00 0.00 H new ATOM 0 HG2 LYS A 102 29.327 -13.607 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 102 29.047 -12.046 3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.620 -12.423 3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.829 -14.071 4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 102 27.633 -11.572 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 102 26.190 -12.522 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 27.668 -13.356 7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.849 -14.462 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 29.003 -13.238 6.679 1.00 0.00 H new ATOM 1525 N PRO A 103 26.059 -14.422 0.998 1.00 0.00 N ATOM 1526 CA PRO A 103 24.648 -14.739 0.875 1.00 0.00 C ATOM 1527 C PRO A 103 23.844 -14.282 2.091 1.00 0.00 C ATOM 1528 O PRO A 103 24.314 -14.368 3.226 1.00 0.00 O ATOM 1529 CB PRO A 103 24.578 -16.250 0.662 1.00 0.00 C ATOM 1530 CG PRO A 103 25.917 -16.568 -0.004 1.00 0.00 C ATOM 1531 CD PRO A 103 26.877 -15.556 0.619 1.00 0.00 C ATOM 0 HA PRO A 103 24.196 -14.206 0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.459 -16.785 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.736 -16.529 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 103 26.230 -17.593 0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.863 -16.456 -1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 103 27.384 -15.980 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.650 -15.261 -0.091 1.00 0.00 H new ATOM 1539 N PHE A 104 22.628 -13.797 1.839 1.00 0.00 N ATOM 1540 CA PHE A 104 21.799 -13.134 2.833 1.00 0.00 C ATOM 1541 C PHE A 104 20.348 -13.609 2.845 1.00 0.00 C ATOM 1542 O PHE A 104 19.825 -14.049 1.825 1.00 0.00 O ATOM 1543 CB PHE A 104 21.923 -11.615 2.693 1.00 0.00 C ATOM 1544 CG PHE A 104 22.116 -11.157 1.260 1.00 0.00 C ATOM 1545 CD1 PHE A 104 23.362 -10.661 0.848 1.00 0.00 C ATOM 1546 CD2 PHE A 104 21.063 -11.248 0.340 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.558 -10.282 -0.489 1.00 0.00 C ATOM 1548 CE2 PHE A 104 21.254 -10.856 -0.992 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.503 -10.378 -1.409 1.00 0.00 C ATOM 0 H PHE A 104 22.188 -13.857 0.921 1.00 0.00 H new ATOM 0 HA PHE A 104 22.181 -13.422 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 104 21.027 -11.146 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.764 -11.269 3.294 1.00 0.00 H new ATOM 0 HD1 PHE A 104 24.170 -10.571 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 104 20.101 -11.621 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.522 -9.916 -0.810 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.438 -10.922 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.654 -10.084 -2.437 1.00 0.00 H new ATOM 1559 N THR A 105 19.700 -13.518 4.010 1.00 0.00 N ATOM 1560 CA THR A 105 18.304 -13.904 4.165 1.00 0.00 C ATOM 1561 C THR A 105 17.333 -12.845 3.667 1.00 0.00 C ATOM 1562 O THR A 105 17.739 -11.751 3.278 1.00 0.00 O ATOM 1563 CB THR A 105 18.003 -14.313 5.611 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.701 -13.159 6.367 1.00 0.00 O ATOM 1565 CG2 THR A 105 19.191 -15.035 6.253 1.00 0.00 C ATOM 0 H THR A 105 20.132 -13.175 4.868 1.00 0.00 H new ATOM 0 HA THR A 105 18.149 -14.774 3.527 1.00 0.00 H new ATOM 0 HB THR A 105 17.155 -14.998 5.599 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.506 -13.416 7.292 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.940 -15.309 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.421 -15.935 5.683 1.00 0.00 H new ATOM 0 HG23 THR A 105 20.059 -14.376 6.256 1.00 0.00 H new ATOM 1573 N MET A 106 16.038 -13.171 3.683 1.00 0.00 N ATOM 1574 CA MET A 106 14.998 -12.233 3.297 1.00 0.00 C ATOM 1575 C MET A 106 15.021 -11.017 4.220 1.00 0.00 C ATOM 1576 O MET A 106 14.653 -9.919 3.813 1.00 0.00 O ATOM 1577 CB MET A 106 13.647 -12.957 3.374 1.00 0.00 C ATOM 1578 CG MET A 106 12.455 -12.056 3.024 1.00 0.00 C ATOM 1579 SD MET A 106 12.231 -11.721 1.258 1.00 0.00 S ATOM 1580 CE MET A 106 13.341 -10.306 1.049 1.00 0.00 C ATOM 0 H MET A 106 15.690 -14.088 3.963 1.00 0.00 H new ATOM 0 HA MET A 106 15.163 -11.878 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.660 -13.810 2.695 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.511 -13.353 4.381 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.546 -12.519 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.573 -11.106 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 106 13.201 -9.877 0.057 1.00 0.00 H new ATOM 0 HE2 MET A 106 13.117 -9.553 1.805 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.374 -10.635 1.159 1.00 0.00 H new ATOM 1590 N ASP A 107 15.459 -11.210 5.468 1.00 0.00 N ATOM 1591 CA ASP A 107 15.571 -10.122 6.427 1.00 0.00 C ATOM 1592 C ASP A 107 16.878 -9.342 6.257 1.00 0.00 C ATOM 1593 O ASP A 107 16.973 -8.196 6.689 1.00 0.00 O ATOM 1594 CB ASP A 107 15.456 -10.671 7.851 1.00 0.00 C ATOM 1595 CG ASP A 107 14.065 -11.230 8.152 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.166 -11.061 7.296 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.913 -11.821 9.246 1.00 0.00 O ATOM 0 H ASP A 107 15.742 -12.119 5.834 1.00 0.00 H new ATOM 0 HA ASP A 107 14.753 -9.426 6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.199 -11.456 7.996 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.687 -9.878 8.562 1.00 0.00 H new ATOM 1602 N GLY A 108 17.880 -9.962 5.626 1.00 0.00 N ATOM 1603 CA GLY A 108 19.181 -9.342 5.428 1.00 0.00 C ATOM 1604 C GLY A 108 19.106 -8.237 4.384 1.00 0.00 C ATOM 1605 O GLY A 108 19.733 -7.191 4.538 1.00 0.00 O ATOM 0 H GLY A 108 17.806 -10.904 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.540 -8.931 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.903 -10.096 5.114 1.00 0.00 H new ATOM 1609 N VAL A 109 18.336 -8.458 3.314 1.00 0.00 N ATOM 1610 CA VAL A 109 18.142 -7.438 2.294 1.00 0.00 C ATOM 1611 C VAL A 109 17.156 -6.377 2.763 1.00 0.00 C ATOM 1612 O VAL A 109 17.248 -5.226 2.349 1.00 0.00 O ATOM 1613 CB VAL A 109 17.696 -8.074 0.974 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.609 -9.242 0.614 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.260 -8.587 1.070 1.00 0.00 C ATOM 0 H VAL A 109 17.841 -9.332 3.137 1.00 0.00 H new ATOM 0 HA VAL A 109 19.097 -6.941 2.120 1.00 0.00 H new ATOM 0 HB VAL A 109 17.752 -7.306 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 109 18.280 -9.684 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.633 -8.884 0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.567 -9.993 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.969 -9.034 0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.193 -9.337 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.592 -7.757 1.301 1.00 0.00 H new ATOM 1625 N ALA A 110 16.216 -6.760 3.630 1.00 0.00 N ATOM 1626 CA ALA A 110 15.263 -5.820 4.190 1.00 0.00 C ATOM 1627 C ALA A 110 15.968 -4.906 5.191 1.00 0.00 C ATOM 1628 O ALA A 110 15.521 -3.787 5.425 1.00 0.00 O ATOM 1629 CB ALA A 110 14.139 -6.598 4.868 1.00 0.00 C ATOM 0 H ALA A 110 16.100 -7.720 3.956 1.00 0.00 H new ATOM 0 HA ALA A 110 14.840 -5.200 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.418 -5.900 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.642 -7.233 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.554 -7.218 5.663 1.00 0.00 H new ATOM 1635 N LYS A 111 17.069 -5.385 5.778 1.00 0.00 N ATOM 1636 CA LYS A 111 17.871 -4.606 6.709 1.00 0.00 C ATOM 1637 C LYS A 111 18.606 -3.497 5.966 1.00 0.00 C ATOM 1638 O LYS A 111 18.721 -2.378 6.472 1.00 0.00 O ATOM 1639 CB LYS A 111 18.863 -5.547 7.391 1.00 0.00 C ATOM 1640 CG LYS A 111 19.653 -4.833 8.486 1.00 0.00 C ATOM 1641 CD LYS A 111 20.657 -5.823 9.083 1.00 0.00 C ATOM 1642 CE LYS A 111 21.300 -5.244 10.347 1.00 0.00 C ATOM 1643 NZ LYS A 111 22.059 -4.016 10.039 1.00 0.00 N ATOM 0 H LYS A 111 17.425 -6.327 5.616 1.00 0.00 H new ATOM 0 HA LYS A 111 17.232 -4.140 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.326 -6.393 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.552 -5.951 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.173 -3.967 8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 111 18.980 -4.463 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.154 -6.760 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.429 -6.053 8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 111 20.528 -5.023 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 111 21.964 -5.984 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 22.568 -3.700 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 22.742 -4.211 9.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 21.403 -3.270 9.731 1.00 0.00 H new ATOM 1657 N ALA A 112 19.104 -3.804 4.764 1.00 0.00 N ATOM 1658 CA ALA A 112 19.834 -2.838 3.965 1.00 0.00 C ATOM 1659 C ALA A 112 18.888 -1.791 3.380 1.00 0.00 C ATOM 1660 O ALA A 112 19.197 -0.602 3.393 1.00 0.00 O ATOM 1661 CB ALA A 112 20.582 -3.579 2.852 1.00 0.00 C ATOM 0 H ALA A 112 19.009 -4.722 4.329 1.00 0.00 H new ATOM 0 HA ALA A 112 20.551 -2.313 4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.134 -2.862 2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.278 -4.292 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.867 -4.111 2.224 1.00 0.00 H new ATOM 1667 N LEU A 113 17.732 -2.221 2.865 1.00 0.00 N ATOM 1668 CA LEU A 113 16.784 -1.299 2.251 1.00 0.00 C ATOM 1669 C LEU A 113 16.159 -0.388 3.307 1.00 0.00 C ATOM 1670 O LEU A 113 15.708 0.710 2.985 1.00 0.00 O ATOM 1671 CB LEU A 113 15.703 -2.091 1.506 1.00 0.00 C ATOM 1672 CG LEU A 113 16.273 -2.838 0.293 1.00 0.00 C ATOM 1673 CD1 LEU A 113 15.166 -3.673 -0.345 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.809 -1.862 -0.755 1.00 0.00 C ATOM 0 H LEU A 113 17.435 -3.197 2.863 1.00 0.00 H new ATOM 0 HA LEU A 113 17.313 -0.668 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.242 -2.805 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.917 -1.411 1.177 1.00 0.00 H new ATOM 0 HG LEU A 113 17.091 -3.472 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.564 -4.207 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.787 -4.391 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 113 14.355 -3.019 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.206 -2.420 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 113 16.002 -1.213 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.602 -1.256 -0.316 1.00 0.00 H new ATOM 1686 N ALA A 114 16.133 -0.836 4.569 1.00 0.00 N ATOM 1687 CA ALA A 114 15.643 -0.010 5.662 1.00 0.00 C ATOM 1688 C ALA A 114 16.724 0.978 6.109 1.00 0.00 C ATOM 1689 O ALA A 114 16.410 2.032 6.660 1.00 0.00 O ATOM 1690 CB ALA A 114 15.230 -0.910 6.826 1.00 0.00 C ATOM 0 H ALA A 114 16.446 -1.765 4.850 1.00 0.00 H new ATOM 0 HA ALA A 114 14.779 0.562 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 114 14.862 -0.296 7.648 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.442 -1.589 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.091 -1.488 7.162 1.00 0.00 H new ATOM 1696 N ALA A 115 17.994 0.636 5.873 1.00 0.00 N ATOM 1697 CA ALA A 115 19.111 1.487 6.246 1.00 0.00 C ATOM 1698 C ALA A 115 19.297 2.622 5.235 1.00 0.00 C ATOM 1699 O ALA A 115 20.009 3.580 5.511 1.00 0.00 O ATOM 1700 CB ALA A 115 20.377 0.641 6.354 1.00 0.00 C ATOM 0 H ALA A 115 18.268 -0.236 5.420 1.00 0.00 H new ATOM 0 HA ALA A 115 18.903 1.943 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.217 1.277 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.236 -0.129 7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.583 0.170 5.393 1.00 0.00 H new ATOM 1706 N LEU A 116 18.664 2.529 4.061 1.00 0.00 N ATOM 1707 CA LEU A 116 18.714 3.607 3.081 1.00 0.00 C ATOM 1708 C LEU A 116 18.005 4.859 3.604 1.00 0.00 C ATOM 1709 O LEU A 116 18.184 5.941 3.045 1.00 0.00 O ATOM 1710 CB LEU A 116 18.052 3.147 1.780 1.00 0.00 C ATOM 1711 CG LEU A 116 18.851 2.036 1.093 1.00 0.00 C ATOM 1712 CD1 LEU A 116 18.069 1.551 -0.124 1.00 0.00 C ATOM 1713 CD2 LEU A 116 20.216 2.552 0.638 1.00 0.00 C ATOM 0 H LEU A 116 18.114 1.720 3.772 1.00 0.00 H new ATOM 0 HA LEU A 116 19.759 3.857 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.044 2.791 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.954 3.996 1.103 1.00 0.00 H new ATOM 0 HG LEU A 116 19.006 1.221 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.627 0.759 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 116 17.100 1.166 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.920 2.381 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.766 1.746 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 116 20.079 3.373 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.778 2.906 1.502 1.00 0.00 H new