USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN :FLIP amide:sc= -3.87 F(o=-13,f=-11) USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= -7.05! C(o=-13!,f=-11!) USER MOD Single : A 1 MET CE :methyl 143:sc= 0 (180deg=-0.0311) USER MOD Single : A 1 MET N :NH3+ -133:sc= -2.69! (180deg=-6.19!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 20 THR OG1 : rot -74:sc= -1.01 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -115:sc= -2.04! (180deg=-6.64!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 142:sc= -7.17! USER MOD Single : A 44 MET CE :methyl 166:sc= -0.0492 (180deg=-0.419) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.869 F(o=-2.7,f=-0.87) USER MOD Single : A 51 THR OG1 : rot -70:sc= -0.688 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 15:sc= -1.38 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.898 K(o=0.9,f=-0.67) USER MOD Single : A 79 LYS NZ :NH3+ 132:sc= -0.538 (180deg=-1.33!) USER MOD Single : A 84 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 107 GLN : amide:sc=-0.00648 X(o=-0.0065,f=-0.15) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0478) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.637 0.985 -15.065 1.00 0.00 N ATOM 2 CA MET A 1 -9.262 2.243 -15.437 1.00 0.00 C ATOM 3 C MET A 1 -9.731 3.009 -14.198 1.00 0.00 C ATOM 4 O MET A 1 -9.407 4.183 -14.029 1.00 0.00 O ATOM 5 CB MET A 1 -10.457 1.969 -16.351 1.00 0.00 C ATOM 6 CG MET A 1 -10.357 2.784 -17.643 1.00 0.00 C ATOM 7 SD MET A 1 -11.502 2.150 -18.855 1.00 0.00 S ATOM 8 CE MET A 1 -10.544 0.794 -19.509 1.00 0.00 C ATOM 0 H1 MET A 1 -7.742 0.876 -15.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.448 0.980 -14.042 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.273 0.198 -15.303 1.00 0.00 H new ATOM 0 HA MET A 1 -8.526 2.852 -15.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.501 0.906 -16.590 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.382 2.217 -15.831 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.574 3.832 -17.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.340 2.739 -18.033 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.204 -0.045 -19.729 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.042 1.111 -20.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.800 0.487 -18.774 1.00 0.00 H new ATOM 16 N PRO A 2 -10.510 2.294 -13.341 1.00 0.00 N ATOM 17 CA PRO A 2 -11.027 2.893 -12.123 1.00 0.00 C ATOM 18 C PRO A 2 -9.927 3.028 -11.068 1.00 0.00 C ATOM 19 O PRO A 2 -9.920 3.982 -10.292 1.00 0.00 O ATOM 20 CB PRO A 2 -12.160 1.980 -11.686 1.00 0.00 C ATOM 21 CG PRO A 2 -11.936 0.662 -12.409 1.00 0.00 C ATOM 22 CD PRO A 2 -10.914 0.901 -13.508 1.00 0.00 C ATOM 0 HA PRO A 2 -11.389 3.910 -12.275 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -12.153 1.839 -10.605 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.128 2.408 -11.945 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.579 -0.098 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -12.871 0.294 -12.831 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.063 0.227 -13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.345 0.729 -14.494 1.00 0.00 H new ATOM 27 N VAL A 3 -9.025 2.058 -11.073 1.00 0.00 N ATOM 28 CA VAL A 3 -7.922 2.057 -10.126 1.00 0.00 C ATOM 29 C VAL A 3 -8.444 2.448 -8.743 1.00 0.00 C ATOM 30 O VAL A 3 -7.799 3.212 -8.025 1.00 0.00 O ATOM 31 CB VAL A 3 -6.802 2.973 -10.624 1.00 0.00 C ATOM 32 CG1 VAL A 3 -7.237 4.439 -10.588 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.520 2.760 -9.817 1.00 0.00 C ATOM 0 H VAL A 3 -9.035 1.267 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.492 1.059 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.591 2.712 -11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.423 5.069 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.110 4.575 -11.226 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.488 4.719 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.740 3.423 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.710 2.980 -8.767 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.195 1.724 -9.917 1.00 0.00 H new ATOM 43 N THR A 4 -9.607 1.909 -8.409 1.00 0.00 N ATOM 44 CA THR A 4 -10.224 2.193 -7.123 1.00 0.00 C ATOM 45 C THR A 4 -9.499 1.438 -6.008 1.00 0.00 C ATOM 46 O THR A 4 -8.552 0.698 -6.266 1.00 0.00 O ATOM 47 CB THR A 4 -11.710 1.849 -7.226 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.158 2.576 -8.367 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.527 2.431 -6.070 1.00 0.00 C ATOM 0 H THR A 4 -10.139 1.277 -9.007 1.00 0.00 H new ATOM 0 HA THR A 4 -10.139 3.249 -6.866 1.00 0.00 H new ATOM 0 HB THR A 4 -11.830 0.766 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.113 2.408 -8.507 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.575 2.157 -6.191 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.155 2.034 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.433 3.517 -6.069 1.00 0.00 H new ATOM 57 N GLN A 5 -9.973 1.653 -4.788 1.00 0.00 N ATOM 58 CA GLN A 5 -9.384 1.000 -3.631 1.00 0.00 C ATOM 59 C GLN A 5 -9.231 -0.500 -3.887 1.00 0.00 C ATOM 60 O GLN A 5 -8.115 -1.000 -4.021 1.00 0.00 O ATOM 61 CB GLN A 5 -10.215 1.261 -2.373 1.00 0.00 C ATOM 62 CG GLN A 5 -9.536 0.668 -1.136 1.00 0.00 C ATOM 63 CD GLN A 5 -8.499 1.634 -0.564 1.00 0.00 C ATOM 64 OE1 GLN A 5 -7.349 1.653 -1.233 1.00 0.00 O flip ATOM 65 NE2 GLN A 5 -8.726 2.319 0.421 1.00 0.00 N flip ATOM 0 H GLN A 5 -10.757 2.270 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.393 1.422 -3.466 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.351 2.334 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.207 0.826 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.286 0.443 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.055 -0.274 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.631 2.256 0.888 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.011 2.954 0.777 1.00 0.00 H new ATOM 72 N GLU A 6 -10.369 -1.177 -3.948 1.00 0.00 N ATOM 73 CA GLU A 6 -10.375 -2.610 -4.185 1.00 0.00 C ATOM 74 C GLU A 6 -9.512 -2.950 -5.402 1.00 0.00 C ATOM 75 O GLU A 6 -9.067 -4.086 -5.553 1.00 0.00 O ATOM 76 CB GLU A 6 -11.803 -3.130 -4.363 1.00 0.00 C ATOM 77 CG GLU A 6 -12.256 -3.919 -3.132 1.00 0.00 C ATOM 78 CD GLU A 6 -13.718 -3.617 -2.796 1.00 0.00 C ATOM 79 OE1 GLU A 6 -13.992 -2.797 -1.907 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.584 -4.268 -3.496 1.00 0.00 O ATOM 0 H GLU A 6 -11.293 -0.759 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.949 -3.105 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.480 -2.293 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.855 -3.766 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.134 -4.987 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.624 -3.667 -2.281 1.00 0.00 H new ATOM 86 N GLU A 7 -9.302 -1.944 -6.239 1.00 0.00 N ATOM 87 CA GLU A 7 -8.500 -2.123 -7.437 1.00 0.00 C ATOM 88 C GLU A 7 -7.016 -2.210 -7.075 1.00 0.00 C ATOM 89 O GLU A 7 -6.293 -3.054 -7.603 1.00 0.00 O ATOM 90 CB GLU A 7 -8.755 -0.996 -8.440 1.00 0.00 C ATOM 91 CG GLU A 7 -9.324 -1.545 -9.750 1.00 0.00 C ATOM 92 CD GLU A 7 -10.617 -2.324 -9.502 1.00 0.00 C ATOM 93 OE1 GLU A 7 -10.792 -3.425 -10.046 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.457 -1.748 -8.711 1.00 0.00 O ATOM 0 H GLU A 7 -9.673 -1.003 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.793 -3.060 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.450 -0.274 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.825 -0.464 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.517 -0.723 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.589 -2.195 -10.226 1.00 0.00 H new ATOM 100 N ILE A 8 -6.606 -1.325 -6.177 1.00 0.00 N ATOM 101 CA ILE A 8 -5.222 -1.292 -5.739 1.00 0.00 C ATOM 102 C ILE A 8 -5.067 -2.153 -4.484 1.00 0.00 C ATOM 103 O ILE A 8 -3.958 -2.333 -3.982 1.00 0.00 O ATOM 104 CB ILE A 8 -4.753 0.153 -5.555 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.357 1.067 -6.623 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.226 0.234 -5.527 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.137 2.540 -6.274 1.00 0.00 C ATOM 0 H ILE A 8 -7.208 -0.626 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.571 -1.720 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.112 0.508 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.906 0.848 -7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.425 0.867 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.919 1.272 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.845 -0.365 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.824 -0.147 -6.466 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.576 3.167 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.610 2.762 -5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.068 2.742 -6.206 1.00 0.00 H new ATOM 118 N ILE A 9 -6.195 -2.665 -4.013 1.00 0.00 N ATOM 119 CA ILE A 9 -6.200 -3.503 -2.827 1.00 0.00 C ATOM 120 C ILE A 9 -6.394 -4.963 -3.241 1.00 0.00 C ATOM 121 O ILE A 9 -5.744 -5.857 -2.701 1.00 0.00 O ATOM 122 CB ILE A 9 -7.241 -3.004 -1.823 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.893 -1.600 -1.323 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.410 -3.997 -0.670 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.466 -1.358 0.075 1.00 0.00 C ATOM 0 H ILE A 9 -7.113 -2.515 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.241 -3.442 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.202 -2.935 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.810 -1.475 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.287 -0.856 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.155 -3.619 0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.737 -4.959 -1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.458 -4.121 -0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.204 -0.353 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.551 -1.460 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.052 -2.089 0.770 1.00 0.00 H new ATOM 136 N ALA A 10 -7.291 -5.160 -4.195 1.00 0.00 N ATOM 137 CA ALA A 10 -7.580 -6.497 -4.687 1.00 0.00 C ATOM 138 C ALA A 10 -6.696 -6.789 -5.901 1.00 0.00 C ATOM 139 O ALA A 10 -6.251 -7.920 -6.092 1.00 0.00 O ATOM 140 CB ALA A 10 -9.071 -6.612 -5.009 1.00 0.00 C ATOM 0 H ALA A 10 -7.828 -4.416 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.354 -7.244 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.287 -7.615 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.654 -6.424 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.336 -5.880 -5.772 1.00 0.00 H new ATOM 146 N GLY A 11 -6.469 -5.750 -6.692 1.00 0.00 N ATOM 147 CA GLY A 11 -5.648 -5.883 -7.884 1.00 0.00 C ATOM 148 C GLY A 11 -4.181 -6.115 -7.515 1.00 0.00 C ATOM 149 O GLY A 11 -3.511 -6.952 -8.119 1.00 0.00 O ATOM 0 H GLY A 11 -6.839 -4.813 -6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.011 -6.714 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.736 -4.983 -8.493 1.00 0.00 H new ATOM 153 N ILE A 12 -3.726 -5.360 -6.526 1.00 0.00 N ATOM 154 CA ILE A 12 -2.350 -5.473 -6.069 1.00 0.00 C ATOM 155 C ILE A 12 -2.203 -6.737 -5.220 1.00 0.00 C ATOM 156 O ILE A 12 -1.336 -7.569 -5.484 1.00 0.00 O ATOM 157 CB ILE A 12 -1.918 -4.194 -5.351 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.874 -3.010 -6.318 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.583 -4.396 -4.630 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.640 -2.141 -6.065 1.00 0.00 C ATOM 0 H ILE A 12 -4.285 -4.667 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.673 -5.578 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.663 -3.960 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.862 -3.375 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.776 -2.409 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.298 -3.472 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.684 -5.193 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.185 -4.667 -5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.633 -1.306 -6.766 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.668 -1.758 -5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.261 -2.739 -6.204 1.00 0.00 H new ATOM 171 N ALA A 13 -3.062 -6.840 -4.217 1.00 0.00 N ATOM 172 CA ALA A 13 -3.037 -7.989 -3.326 1.00 0.00 C ATOM 173 C ALA A 13 -2.788 -9.257 -4.144 1.00 0.00 C ATOM 174 O ALA A 13 -1.951 -10.081 -3.779 1.00 0.00 O ATOM 175 CB ALA A 13 -4.348 -8.052 -2.538 1.00 0.00 C ATOM 0 H ALA A 13 -3.779 -6.148 -4.001 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.226 -7.898 -2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.330 -8.913 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.464 -7.140 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.184 -8.147 -3.230 1.00 0.00 H new ATOM 181 N GLU A 14 -3.530 -9.375 -5.235 1.00 0.00 N ATOM 182 CA GLU A 14 -3.399 -10.530 -6.108 1.00 0.00 C ATOM 183 C GLU A 14 -1.971 -10.630 -6.646 1.00 0.00 C ATOM 184 O GLU A 14 -1.391 -11.715 -6.682 1.00 0.00 O ATOM 185 CB GLU A 14 -4.414 -10.470 -7.252 1.00 0.00 C ATOM 186 CG GLU A 14 -5.771 -11.020 -6.811 1.00 0.00 C ATOM 187 CD GLU A 14 -6.037 -12.390 -7.439 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.103 -13.189 -7.603 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.266 -12.613 -7.761 1.00 0.00 O ATOM 0 H GLU A 14 -4.224 -8.690 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.610 -11.427 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.527 -9.439 -7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.044 -11.044 -8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.798 -11.102 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.560 -10.325 -7.098 1.00 0.00 H new ATOM 195 N ILE A 15 -1.443 -9.485 -7.050 1.00 0.00 N ATOM 196 CA ILE A 15 -0.093 -9.429 -7.585 1.00 0.00 C ATOM 197 C ILE A 15 0.902 -9.807 -6.485 1.00 0.00 C ATOM 198 O ILE A 15 1.830 -10.578 -6.721 1.00 0.00 O ATOM 199 CB ILE A 15 0.178 -8.062 -8.217 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.630 -7.883 -9.503 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.675 -7.852 -8.447 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.280 -6.563 -10.192 1.00 0.00 C ATOM 0 H ILE A 15 -1.926 -8.587 -7.018 1.00 0.00 H new ATOM 0 HA ILE A 15 0.029 -10.155 -8.389 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.152 -7.292 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.432 -8.714 -10.180 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.695 -7.906 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.840 -6.873 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.201 -7.907 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.053 -8.627 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.869 -6.461 -11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.502 -5.733 -9.522 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.781 -6.553 -10.442 1.00 0.00 H new ATOM 213 N ILE A 16 0.674 -9.244 -5.306 1.00 0.00 N ATOM 214 CA ILE A 16 1.539 -9.511 -4.170 1.00 0.00 C ATOM 215 C ILE A 16 1.642 -11.023 -3.958 1.00 0.00 C ATOM 216 O ILE A 16 2.677 -11.523 -3.519 1.00 0.00 O ATOM 217 CB ILE A 16 1.052 -8.750 -2.936 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.927 -7.253 -3.229 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.953 -9.025 -1.731 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.582 -6.473 -1.959 1.00 0.00 C ATOM 0 H ILE A 16 -0.097 -8.605 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 16 2.547 -9.146 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 16 0.056 -9.113 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.863 -6.881 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.156 -7.089 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.584 -8.472 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.947 -10.092 -1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.971 -8.708 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.499 -5.412 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.366 -6.831 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.367 -6.619 -1.217 1.00 0.00 H new ATOM 231 N GLU A 17 0.555 -11.709 -4.280 1.00 0.00 N ATOM 232 CA GLU A 17 0.511 -13.154 -4.130 1.00 0.00 C ATOM 233 C GLU A 17 1.284 -13.830 -5.265 1.00 0.00 C ATOM 234 O GLU A 17 1.321 -15.056 -5.352 1.00 0.00 O ATOM 235 CB GLU A 17 -0.933 -13.656 -4.077 1.00 0.00 C ATOM 236 CG GLU A 17 -0.987 -15.131 -3.675 1.00 0.00 C ATOM 237 CD GLU A 17 -1.522 -15.993 -4.820 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.389 -16.851 -4.598 1.00 0.00 O ATOM 239 OE2 GLU A 17 -1.006 -15.745 -5.977 1.00 0.00 O ATOM 0 H GLU A 17 -0.301 -11.291 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 17 0.988 -13.416 -3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.503 -13.060 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.404 -13.524 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.010 -15.472 -3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.623 -15.249 -2.798 1.00 0.00 H new ATOM 245 N GLU A 18 1.885 -12.999 -6.104 1.00 0.00 N ATOM 246 CA GLU A 18 2.655 -13.500 -7.230 1.00 0.00 C ATOM 247 C GLU A 18 4.149 -13.267 -6.996 1.00 0.00 C ATOM 248 O GLU A 18 4.964 -14.161 -7.222 1.00 0.00 O ATOM 249 CB GLU A 18 2.199 -12.854 -8.539 1.00 0.00 C ATOM 250 CG GLU A 18 0.696 -13.049 -8.752 1.00 0.00 C ATOM 251 CD GLU A 18 0.425 -13.919 -9.981 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.036 -15.089 -9.840 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.631 -13.340 -11.115 1.00 0.00 O ATOM 0 H GLU A 18 1.854 -11.982 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 18 2.482 -14.573 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.433 -11.789 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.748 -13.289 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.257 -13.514 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.214 -12.079 -8.875 1.00 0.00 H new ATOM 259 N VAL A 19 4.465 -12.063 -6.544 1.00 0.00 N ATOM 260 CA VAL A 19 5.846 -11.701 -6.277 1.00 0.00 C ATOM 261 C VAL A 19 6.272 -12.290 -4.931 1.00 0.00 C ATOM 262 O VAL A 19 7.177 -13.121 -4.870 1.00 0.00 O ATOM 263 CB VAL A 19 6.011 -10.181 -6.343 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.481 -9.797 -6.529 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.145 -9.583 -7.453 1.00 0.00 C ATOM 0 H VAL A 19 3.787 -11.325 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 19 6.504 -12.120 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 19 5.673 -9.766 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.571 -8.712 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.065 -10.176 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.856 -10.230 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.281 -8.502 -7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.439 -10.008 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.097 -9.812 -7.260 1.00 0.00 H new ATOM 275 N THR A 20 5.598 -11.837 -3.883 1.00 0.00 N ATOM 276 CA THR A 20 5.894 -12.309 -2.542 1.00 0.00 C ATOM 277 C THR A 20 5.231 -13.665 -2.295 1.00 0.00 C ATOM 278 O THR A 20 5.750 -14.486 -1.540 1.00 0.00 O ATOM 279 CB THR A 20 5.455 -11.228 -1.552 1.00 0.00 C ATOM 280 OG1 THR A 20 4.034 -11.227 -1.648 1.00 0.00 O ATOM 281 CG2 THR A 20 5.860 -9.824 -2.001 1.00 0.00 C ATOM 0 H THR A 20 4.848 -11.148 -3.937 1.00 0.00 H new ATOM 0 HA THR A 20 6.963 -12.477 -2.409 1.00 0.00 H new ATOM 0 HB THR A 20 5.888 -11.434 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.763 -10.799 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.524 -9.095 -1.263 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.945 -9.771 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.400 -9.603 -2.964 1.00 0.00 H new ATOM 289 N GLY A 21 4.092 -13.859 -2.945 1.00 0.00 N ATOM 290 CA GLY A 21 3.353 -15.101 -2.805 1.00 0.00 C ATOM 291 C GLY A 21 2.476 -15.079 -1.551 1.00 0.00 C ATOM 292 O GLY A 21 2.134 -16.129 -1.009 1.00 0.00 O ATOM 0 H GLY A 21 3.664 -13.176 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.731 -15.259 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.049 -15.938 -2.752 1.00 0.00 H new ATOM 296 N ILE A 22 2.136 -13.870 -1.128 1.00 0.00 N ATOM 297 CA ILE A 22 1.305 -13.698 0.052 1.00 0.00 C ATOM 298 C ILE A 22 -0.169 -13.794 -0.349 1.00 0.00 C ATOM 299 O ILE A 22 -0.499 -13.735 -1.532 1.00 0.00 O ATOM 300 CB ILE A 22 1.662 -12.397 0.773 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.088 -12.448 1.325 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.638 -12.074 1.863 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.680 -11.043 1.450 1.00 0.00 C ATOM 0 H ILE A 22 2.420 -13.001 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 22 1.493 -14.496 0.770 1.00 0.00 H new ATOM 0 HB ILE A 22 1.627 -11.585 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.086 -12.934 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.714 -13.053 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.916 -11.144 2.359 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.349 -11.964 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.617 -12.883 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.694 -11.109 1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.703 -10.569 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.066 -10.448 2.126 1.00 0.00 H new ATOM 314 N GLU A 23 -1.015 -13.941 0.660 1.00 0.00 N ATOM 315 CA GLU A 23 -2.446 -14.046 0.427 1.00 0.00 C ATOM 316 C GLU A 23 -3.002 -12.711 -0.069 1.00 0.00 C ATOM 317 O GLU A 23 -2.503 -11.649 0.301 1.00 0.00 O ATOM 318 CB GLU A 23 -3.173 -14.507 1.692 1.00 0.00 C ATOM 319 CG GLU A 23 -3.675 -15.945 1.542 1.00 0.00 C ATOM 320 CD GLU A 23 -2.842 -16.908 2.391 1.00 0.00 C ATOM 321 OE1 GLU A 23 -1.724 -17.271 1.998 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.395 -17.279 3.495 1.00 0.00 O ATOM 0 H GLU A 23 -0.737 -13.990 1.640 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.616 -14.797 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.501 -14.440 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.014 -13.844 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.721 -16.002 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.627 -16.243 0.495 1.00 0.00 H new ATOM 328 N PRO A 24 -4.057 -12.810 -0.922 1.00 0.00 N ATOM 329 CA PRO A 24 -4.686 -11.621 -1.474 1.00 0.00 C ATOM 330 C PRO A 24 -5.555 -10.925 -0.425 1.00 0.00 C ATOM 331 O PRO A 24 -5.441 -9.717 -0.222 1.00 0.00 O ATOM 332 CB PRO A 24 -5.482 -12.118 -2.670 1.00 0.00 C ATOM 333 CG PRO A 24 -5.645 -13.616 -2.470 1.00 0.00 C ATOM 334 CD PRO A 24 -4.675 -14.050 -1.383 1.00 0.00 C ATOM 0 HA PRO A 24 -3.963 -10.865 -1.780 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.452 -11.624 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.960 -11.903 -3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.670 -13.854 -2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.441 -14.149 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.193 -14.560 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.929 -14.744 -1.771 1.00 0.00 H new ATOM 339 N SER A 25 -6.406 -11.715 0.212 1.00 0.00 N ATOM 340 CA SER A 25 -7.294 -11.189 1.235 1.00 0.00 C ATOM 341 C SER A 25 -6.477 -10.646 2.409 1.00 0.00 C ATOM 342 O SER A 25 -6.944 -9.780 3.147 1.00 0.00 O ATOM 343 CB SER A 25 -8.271 -12.262 1.721 1.00 0.00 C ATOM 344 OG SER A 25 -9.619 -11.797 1.717 1.00 0.00 O ATOM 0 H SER A 25 -6.500 -12.716 0.040 1.00 0.00 H new ATOM 0 HA SER A 25 -7.875 -10.377 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.189 -13.142 1.084 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.997 -12.572 2.730 1.00 0.00 H new ATOM 0 HG SER A 25 -10.212 -12.511 2.032 1.00 0.00 H new ATOM 349 N GLU A 26 -5.271 -11.177 2.544 1.00 0.00 N ATOM 350 CA GLU A 26 -4.384 -10.755 3.616 1.00 0.00 C ATOM 351 C GLU A 26 -4.037 -9.273 3.466 1.00 0.00 C ATOM 352 O GLU A 26 -4.022 -8.533 4.448 1.00 0.00 O ATOM 353 CB GLU A 26 -3.118 -11.614 3.650 1.00 0.00 C ATOM 354 CG GLU A 26 -2.502 -11.629 5.050 1.00 0.00 C ATOM 355 CD GLU A 26 -1.030 -12.045 4.998 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.723 -13.196 4.655 1.00 0.00 O ATOM 357 OE2 GLU A 26 -0.191 -11.122 5.327 1.00 0.00 O ATOM 0 H GLU A 26 -4.887 -11.895 1.930 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.902 -10.892 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.357 -12.632 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.393 -11.227 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.588 -10.640 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.056 -12.318 5.687 1.00 0.00 H new ATOM 363 N ILE A 27 -3.766 -8.884 2.229 1.00 0.00 N ATOM 364 CA ILE A 27 -3.419 -7.502 1.938 1.00 0.00 C ATOM 365 C ILE A 27 -4.590 -6.596 2.324 1.00 0.00 C ATOM 366 O ILE A 27 -5.734 -6.860 1.955 1.00 0.00 O ATOM 367 CB ILE A 27 -2.984 -7.356 0.479 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.518 -7.757 0.301 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.258 -5.942 -0.036 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.151 -8.917 1.228 1.00 0.00 C ATOM 0 H ILE A 27 -3.779 -9.501 1.417 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.562 -7.189 2.535 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.580 -8.040 -0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.339 -8.044 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.875 -6.902 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.939 -5.865 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.325 -5.730 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.705 -5.222 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.104 -9.182 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.308 -8.618 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.779 -9.778 0.999 1.00 0.00 H new ATOM 381 N THR A 28 -4.264 -5.546 3.063 1.00 0.00 N ATOM 382 CA THR A 28 -5.274 -4.598 3.503 1.00 0.00 C ATOM 383 C THR A 28 -4.730 -3.170 3.439 1.00 0.00 C ATOM 384 O THR A 28 -3.524 -2.967 3.311 1.00 0.00 O ATOM 385 CB THR A 28 -5.731 -5.012 4.905 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.567 -5.583 5.495 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.738 -6.163 4.875 1.00 0.00 C ATOM 0 H THR A 28 -3.315 -5.331 3.368 1.00 0.00 H new ATOM 0 HA THR A 28 -6.142 -4.611 2.844 1.00 0.00 H new ATOM 0 HB THR A 28 -6.175 -4.155 5.411 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.773 -5.877 6.407 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.030 -6.418 5.894 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.620 -5.860 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.283 -7.032 4.400 1.00 0.00 H new ATOM 395 N PRO A 29 -5.670 -2.192 3.534 1.00 0.00 N ATOM 396 CA PRO A 29 -5.297 -0.789 3.487 1.00 0.00 C ATOM 397 C PRO A 29 -4.656 -0.348 4.805 1.00 0.00 C ATOM 398 O PRO A 29 -4.920 0.751 5.292 1.00 0.00 O ATOM 399 CB PRO A 29 -6.587 -0.048 3.178 1.00 0.00 C ATOM 400 CG PRO A 29 -7.713 -1.011 3.522 1.00 0.00 C ATOM 401 CD PRO A 29 -7.108 -2.395 3.687 1.00 0.00 C ATOM 0 HA PRO A 29 -4.542 -0.580 2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.662 0.867 3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.629 0.243 2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.213 -0.701 4.439 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.466 -1.015 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.347 -2.818 4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.492 -3.087 2.938 1.00 0.00 H new ATOM 406 N GLU A 30 -3.826 -1.227 5.346 1.00 0.00 N ATOM 407 CA GLU A 30 -3.145 -0.942 6.597 1.00 0.00 C ATOM 408 C GLU A 30 -1.690 -1.412 6.529 1.00 0.00 C ATOM 409 O GLU A 30 -0.986 -1.412 7.538 1.00 0.00 O ATOM 410 CB GLU A 30 -3.875 -1.588 7.777 1.00 0.00 C ATOM 411 CG GLU A 30 -5.306 -1.060 7.892 1.00 0.00 C ATOM 412 CD GLU A 30 -5.502 -0.284 9.196 1.00 0.00 C ATOM 413 OE1 GLU A 30 -5.003 0.843 9.328 1.00 0.00 O ATOM 414 OE2 GLU A 30 -6.203 -0.893 10.092 1.00 0.00 O ATOM 0 H GLU A 30 -3.610 -2.138 4.941 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.151 0.137 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.892 -2.670 7.650 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.333 -1.384 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.528 -0.413 7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.009 -1.892 7.851 1.00 0.00 H new ATOM 420 N LYS A 31 -1.283 -1.800 5.329 1.00 0.00 N ATOM 421 CA LYS A 31 0.075 -2.271 5.117 1.00 0.00 C ATOM 422 C LYS A 31 1.045 -1.096 5.256 1.00 0.00 C ATOM 423 O LYS A 31 0.625 0.060 5.290 1.00 0.00 O ATOM 424 CB LYS A 31 0.185 -3.002 3.777 1.00 0.00 C ATOM 425 CG LYS A 31 -0.727 -4.231 3.748 1.00 0.00 C ATOM 426 CD LYS A 31 0.083 -5.511 3.535 1.00 0.00 C ATOM 427 CE LYS A 31 -0.243 -6.551 4.607 1.00 0.00 C ATOM 428 NZ LYS A 31 0.981 -7.273 5.019 1.00 0.00 N ATOM 0 H LYS A 31 -1.869 -1.798 4.494 1.00 0.00 H new ATOM 0 HA LYS A 31 0.347 -3.003 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.084 -2.325 2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.218 -3.307 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.281 -4.299 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.461 -4.124 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.132 -5.921 2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.148 -5.280 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.692 -6.062 5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.978 -7.259 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.901 -8.274 4.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.807 -6.853 4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.097 -7.200 6.050 1.00 0.00 H new ATOM 437 N SER A 32 2.325 -1.432 5.334 1.00 0.00 N ATOM 438 CA SER A 32 3.358 -0.419 5.469 1.00 0.00 C ATOM 439 C SER A 32 4.448 -0.639 4.419 1.00 0.00 C ATOM 440 O SER A 32 5.519 -0.041 4.496 1.00 0.00 O ATOM 441 CB SER A 32 3.963 -0.434 6.875 1.00 0.00 C ATOM 442 OG SER A 32 4.186 0.881 7.374 1.00 0.00 O ATOM 0 H SER A 32 2.670 -2.392 5.306 1.00 0.00 H new ATOM 0 HA SER A 32 2.902 0.558 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.296 -0.970 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.906 -0.980 6.858 1.00 0.00 H new ATOM 0 HG SER A 32 4.571 0.829 8.274 1.00 0.00 H new ATOM 447 N PHE A 33 4.136 -1.501 3.462 1.00 0.00 N ATOM 448 CA PHE A 33 5.076 -1.809 2.398 1.00 0.00 C ATOM 449 C PHE A 33 6.132 -2.811 2.870 1.00 0.00 C ATOM 450 O PHE A 33 6.562 -3.673 2.105 1.00 0.00 O ATOM 451 CB PHE A 33 5.768 -0.498 2.019 1.00 0.00 C ATOM 452 CG PHE A 33 6.013 -0.333 0.518 1.00 0.00 C ATOM 453 CD1 PHE A 33 5.053 0.220 -0.270 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.190 -0.741 -0.028 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.279 0.372 -1.664 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.417 -0.588 -1.422 1.00 0.00 C ATOM 457 CZ PHE A 33 6.456 -0.035 -2.210 1.00 0.00 C ATOM 0 H PHE A 33 3.246 -1.995 3.401 1.00 0.00 H new ATOM 0 HA PHE A 33 4.548 -2.250 1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.161 0.336 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.723 -0.440 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.119 0.544 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 33 7.952 -1.181 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.516 0.811 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.352 -0.911 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.628 0.081 -3.270 1.00 0.00 H new ATOM 466 N VAL A 34 6.519 -2.665 4.129 1.00 0.00 N ATOM 467 CA VAL A 34 7.516 -3.546 4.713 1.00 0.00 C ATOM 468 C VAL A 34 7.068 -3.956 6.118 1.00 0.00 C ATOM 469 O VAL A 34 6.944 -5.144 6.412 1.00 0.00 O ATOM 470 CB VAL A 34 8.887 -2.869 4.696 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.563 -2.966 6.064 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.777 -3.461 3.601 1.00 0.00 C ATOM 0 H VAL A 34 6.160 -1.949 4.761 1.00 0.00 H new ATOM 0 HA VAL A 34 7.612 -4.458 4.124 1.00 0.00 H new ATOM 0 HB VAL A 34 8.737 -1.813 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.536 -2.477 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.941 -2.476 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.695 -4.014 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.746 -2.962 3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.916 -4.527 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.304 -3.316 2.630 1.00 0.00 H new ATOM 482 N ASP A 35 6.838 -2.949 6.948 1.00 0.00 N ATOM 483 CA ASP A 35 6.407 -3.189 8.314 1.00 0.00 C ATOM 484 C ASP A 35 5.415 -4.353 8.335 1.00 0.00 C ATOM 485 O ASP A 35 5.342 -5.095 9.313 1.00 0.00 O ATOM 486 CB ASP A 35 5.703 -1.960 8.894 1.00 0.00 C ATOM 487 CG ASP A 35 5.782 -1.829 10.416 1.00 0.00 C ATOM 488 OD1 ASP A 35 4.778 -1.998 11.124 1.00 0.00 O ATOM 489 OD2 ASP A 35 6.949 -1.535 10.879 1.00 0.00 O ATOM 0 H ASP A 35 6.942 -1.965 6.700 1.00 0.00 H new ATOM 0 HA ASP A 35 7.291 -3.415 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.135 -1.066 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.654 -1.989 8.601 1.00 0.00 H new ATOM 494 N ASP A 36 4.677 -4.480 7.242 1.00 0.00 N ATOM 495 CA ASP A 36 3.693 -5.542 7.122 1.00 0.00 C ATOM 496 C ASP A 36 4.224 -6.619 6.174 1.00 0.00 C ATOM 497 O ASP A 36 4.508 -7.739 6.598 1.00 0.00 O ATOM 498 CB ASP A 36 2.378 -5.013 6.547 1.00 0.00 C ATOM 499 CG ASP A 36 1.133 -5.333 7.377 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.304 -4.450 7.649 1.00 0.00 O ATOM 501 OD2 ASP A 36 1.031 -6.561 7.756 1.00 0.00 O ATOM 0 H ASP A 36 4.741 -3.865 6.431 1.00 0.00 H new ATOM 0 HA ASP A 36 3.513 -5.949 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.456 -3.931 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.245 -5.425 5.547 1.00 0.00 H new ATOM 506 N LEU A 37 4.344 -6.243 4.909 1.00 0.00 N ATOM 507 CA LEU A 37 4.835 -7.162 3.898 1.00 0.00 C ATOM 508 C LEU A 37 6.023 -7.946 4.461 1.00 0.00 C ATOM 509 O LEU A 37 6.017 -9.176 4.456 1.00 0.00 O ATOM 510 CB LEU A 37 5.153 -6.413 2.602 1.00 0.00 C ATOM 511 CG LEU A 37 3.951 -5.855 1.838 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.400 -5.098 0.586 1.00 0.00 C ATOM 513 CD2 LEU A 37 2.949 -6.963 1.508 1.00 0.00 C ATOM 0 H LEU A 37 4.109 -5.313 4.562 1.00 0.00 H new ATOM 0 HA LEU A 37 4.065 -7.889 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.824 -5.587 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.698 -7.087 1.941 1.00 0.00 H new ATOM 0 HG LEU A 37 3.440 -5.139 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.526 -4.712 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.046 -4.269 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.948 -5.774 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.104 -6.540 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.434 -7.720 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.594 -7.420 2.432 1.00 0.00 H new ATOM 524 N ASP A 38 7.011 -7.201 4.935 1.00 0.00 N ATOM 525 CA ASP A 38 8.202 -7.812 5.502 1.00 0.00 C ATOM 526 C ASP A 38 9.000 -8.492 4.388 1.00 0.00 C ATOM 527 O ASP A 38 9.931 -9.249 4.661 1.00 0.00 O ATOM 528 CB ASP A 38 7.835 -8.875 6.539 1.00 0.00 C ATOM 529 CG ASP A 38 8.766 -8.942 7.753 1.00 0.00 C ATOM 530 OD1 ASP A 38 8.400 -8.524 8.861 1.00 0.00 O ATOM 531 OD2 ASP A 38 9.925 -9.458 7.523 1.00 0.00 O ATOM 0 H ASP A 38 7.012 -6.181 4.938 1.00 0.00 H new ATOM 0 HA ASP A 38 8.788 -7.028 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.820 -8.685 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.827 -9.850 6.051 1.00 0.00 H new ATOM 536 N ILE A 39 8.607 -8.198 3.158 1.00 0.00 N ATOM 537 CA ILE A 39 9.274 -8.772 2.001 1.00 0.00 C ATOM 538 C ILE A 39 10.363 -7.812 1.518 1.00 0.00 C ATOM 539 O ILE A 39 11.217 -8.190 0.718 1.00 0.00 O ATOM 540 CB ILE A 39 8.254 -9.139 0.922 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.693 -10.388 0.155 1.00 0.00 C ATOM 542 CG2 ILE A 39 7.994 -7.956 -0.012 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.048 -10.168 -0.522 1.00 0.00 C ATOM 0 H ILE A 39 7.835 -7.570 2.937 1.00 0.00 H new ATOM 0 HA ILE A 39 9.768 -9.706 2.270 1.00 0.00 H new ATOM 0 HB ILE A 39 7.310 -9.376 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.757 -11.235 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.944 -10.640 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.265 -8.244 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.606 -7.116 0.564 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.925 -7.664 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.337 -11.071 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.974 -9.336 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.800 -9.940 0.234 1.00 0.00 H new ATOM 554 N ASP A 40 10.297 -6.589 2.024 1.00 0.00 N ATOM 555 CA ASP A 40 11.267 -5.573 1.653 1.00 0.00 C ATOM 556 C ASP A 40 10.777 -4.838 0.403 1.00 0.00 C ATOM 557 O ASP A 40 9.643 -5.034 -0.032 1.00 0.00 O ATOM 558 CB ASP A 40 12.626 -6.198 1.332 1.00 0.00 C ATOM 559 CG ASP A 40 13.831 -5.294 1.592 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.728 -4.280 2.299 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.928 -5.672 1.028 1.00 0.00 O ATOM 0 H ASP A 40 9.587 -6.279 2.688 1.00 0.00 H new ATOM 0 HA ASP A 40 11.376 -4.888 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.739 -7.107 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.634 -6.495 0.283 1.00 0.00 H new ATOM 566 N SER A 41 11.656 -4.009 -0.138 1.00 0.00 N ATOM 567 CA SER A 41 11.327 -3.244 -1.330 1.00 0.00 C ATOM 568 C SER A 41 11.727 -4.028 -2.581 1.00 0.00 C ATOM 569 O SER A 41 11.510 -3.568 -3.701 1.00 0.00 O ATOM 570 CB SER A 41 12.017 -1.878 -1.315 1.00 0.00 C ATOM 571 OG SER A 41 13.435 -1.995 -1.382 1.00 0.00 O ATOM 0 H SER A 41 12.595 -3.849 0.226 1.00 0.00 H new ATOM 0 HA SER A 41 10.250 -3.076 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.662 -1.284 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.740 -1.342 -0.407 1.00 0.00 H new ATOM 0 HG SER A 41 13.838 -1.102 -1.372 1.00 0.00 H new ATOM 576 N LEU A 42 12.304 -5.198 -2.349 1.00 0.00 N ATOM 577 CA LEU A 42 12.737 -6.049 -3.444 1.00 0.00 C ATOM 578 C LEU A 42 11.512 -6.531 -4.224 1.00 0.00 C ATOM 579 O LEU A 42 11.312 -6.143 -5.374 1.00 0.00 O ATOM 580 CB LEU A 42 13.620 -7.185 -2.923 1.00 0.00 C ATOM 581 CG LEU A 42 14.997 -7.318 -3.576 1.00 0.00 C ATOM 582 CD1 LEU A 42 16.060 -7.700 -2.544 1.00 0.00 C ATOM 583 CD2 LEU A 42 14.956 -8.302 -4.747 1.00 0.00 C ATOM 0 H LEU A 42 12.482 -5.577 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 42 13.359 -5.487 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.760 -7.047 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.084 -8.125 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 42 15.277 -6.346 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 42 17.029 -7.788 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 42 16.112 -6.931 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.797 -8.654 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.948 -8.378 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.644 -9.283 -4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.247 -7.947 -5.496 1.00 0.00 H new ATOM 594 N SER A 43 10.724 -7.370 -3.567 1.00 0.00 N ATOM 595 CA SER A 43 9.524 -7.908 -4.185 1.00 0.00 C ATOM 596 C SER A 43 8.539 -6.778 -4.485 1.00 0.00 C ATOM 597 O SER A 43 7.992 -6.702 -5.585 1.00 0.00 O ATOM 598 CB SER A 43 8.870 -8.961 -3.289 1.00 0.00 C ATOM 599 OG SER A 43 7.867 -9.702 -3.980 1.00 0.00 O ATOM 0 H SER A 43 10.893 -7.690 -2.613 1.00 0.00 H new ATOM 0 HA SER A 43 9.806 -8.391 -5.120 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.633 -9.644 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.427 -8.473 -2.421 1.00 0.00 H new ATOM 0 HG SER A 43 7.901 -10.640 -3.698 1.00 0.00 H new ATOM 604 N MET A 44 8.340 -5.928 -3.489 1.00 0.00 N ATOM 605 CA MET A 44 7.429 -4.806 -3.632 1.00 0.00 C ATOM 606 C MET A 44 7.696 -4.045 -4.932 1.00 0.00 C ATOM 607 O MET A 44 6.772 -3.518 -5.550 1.00 0.00 O ATOM 608 CB MET A 44 7.594 -3.857 -2.443 1.00 0.00 C ATOM 609 CG MET A 44 6.555 -4.151 -1.359 1.00 0.00 C ATOM 610 SD MET A 44 5.329 -2.854 -1.323 1.00 0.00 S ATOM 611 CE MET A 44 4.116 -3.542 -2.438 1.00 0.00 C ATOM 0 H MET A 44 8.795 -5.994 -2.578 1.00 0.00 H new ATOM 0 HA MET A 44 6.410 -5.192 -3.661 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.597 -3.959 -2.028 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.492 -2.825 -2.780 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.076 -5.111 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.043 -4.229 -0.387 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.181 -2.990 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.480 -3.467 -3.463 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.946 -4.590 -2.189 1.00 0.00 H new ATOM 619 N VAL A 45 8.967 -4.011 -5.310 1.00 0.00 N ATOM 620 CA VAL A 45 9.368 -3.324 -6.526 1.00 0.00 C ATOM 621 C VAL A 45 8.691 -3.985 -7.728 1.00 0.00 C ATOM 622 O VAL A 45 8.349 -3.313 -8.700 1.00 0.00 O ATOM 623 CB VAL A 45 10.894 -3.302 -6.635 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.348 -3.716 -8.037 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.451 -1.928 -6.261 1.00 0.00 C ATOM 0 H VAL A 45 9.731 -4.448 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 45 9.042 -2.284 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 45 11.292 -4.028 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.437 -3.692 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.996 -4.726 -8.250 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.935 -3.025 -8.772 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.538 -1.940 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.042 -1.174 -6.934 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.171 -1.689 -5.235 1.00 0.00 H new ATOM 635 N GLU A 46 8.518 -5.295 -7.623 1.00 0.00 N ATOM 636 CA GLU A 46 7.889 -6.054 -8.689 1.00 0.00 C ATOM 637 C GLU A 46 6.383 -5.781 -8.719 1.00 0.00 C ATOM 638 O GLU A 46 5.839 -5.400 -9.754 1.00 0.00 O ATOM 639 CB GLU A 46 8.171 -7.550 -8.537 1.00 0.00 C ATOM 640 CG GLU A 46 8.951 -8.086 -9.740 1.00 0.00 C ATOM 641 CD GLU A 46 10.330 -8.595 -9.316 1.00 0.00 C ATOM 642 OE1 GLU A 46 11.188 -7.797 -8.911 1.00 0.00 O ATOM 643 OE2 GLU A 46 10.495 -9.870 -9.417 1.00 0.00 O ATOM 0 H GLU A 46 8.803 -5.849 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 46 8.316 -5.731 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.739 -7.726 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.231 -8.093 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.390 -8.893 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.063 -7.299 -10.485 1.00 0.00 H new ATOM 649 N ILE A 47 5.754 -5.986 -7.571 1.00 0.00 N ATOM 650 CA ILE A 47 4.323 -5.766 -7.452 1.00 0.00 C ATOM 651 C ILE A 47 3.940 -4.501 -8.223 1.00 0.00 C ATOM 652 O ILE A 47 2.965 -4.499 -8.972 1.00 0.00 O ATOM 653 CB ILE A 47 3.906 -5.739 -5.980 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.730 -7.158 -5.434 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.649 -4.889 -5.783 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.354 -7.292 -4.044 1.00 0.00 C ATOM 0 H ILE A 47 6.209 -6.302 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 47 3.772 -6.592 -7.901 1.00 0.00 H new ATOM 0 HB ILE A 47 4.705 -5.270 -5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.669 -7.404 -5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.192 -7.873 -6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.373 -4.886 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.845 -3.868 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.831 -5.307 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.215 -8.310 -3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.419 -7.069 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.873 -6.593 -3.360 1.00 0.00 H new ATOM 667 N ALA A 48 4.728 -3.457 -8.013 1.00 0.00 N ATOM 668 CA ALA A 48 4.484 -2.189 -8.679 1.00 0.00 C ATOM 669 C ALA A 48 4.831 -2.323 -10.163 1.00 0.00 C ATOM 670 O ALA A 48 4.065 -1.891 -11.024 1.00 0.00 O ATOM 671 CB ALA A 48 5.289 -1.086 -7.988 1.00 0.00 C ATOM 0 H ALA A 48 5.536 -3.463 -7.391 1.00 0.00 H new ATOM 0 HA ALA A 48 3.431 -1.915 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.106 -0.135 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.984 -1.012 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.351 -1.324 -8.039 1.00 0.00 H new ATOM 677 N VAL A 49 5.984 -2.922 -10.416 1.00 0.00 N ATOM 678 CA VAL A 49 6.443 -3.118 -11.782 1.00 0.00 C ATOM 679 C VAL A 49 5.307 -3.715 -12.615 1.00 0.00 C ATOM 680 O VAL A 49 5.251 -3.516 -13.827 1.00 0.00 O ATOM 681 CB VAL A 49 7.708 -3.977 -11.791 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.390 -5.416 -12.204 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.777 -3.369 -12.701 1.00 0.00 C ATOM 0 H VAL A 49 6.615 -3.279 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 49 6.712 -2.164 -12.236 1.00 0.00 H new ATOM 0 HB VAL A 49 8.105 -3.999 -10.776 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.307 -6.006 -12.202 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.679 -5.848 -11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.958 -5.420 -13.205 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.666 -3.999 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.393 -3.302 -13.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.034 -2.372 -12.344 1.00 0.00 H new ATOM 693 N GLN A 50 4.430 -4.435 -11.931 1.00 0.00 N ATOM 694 CA GLN A 50 3.299 -5.064 -12.594 1.00 0.00 C ATOM 695 C GLN A 50 2.117 -4.096 -12.658 1.00 0.00 C ATOM 696 O GLN A 50 1.652 -3.750 -13.743 1.00 0.00 O ATOM 697 CB GLN A 50 2.905 -6.364 -11.890 1.00 0.00 C ATOM 698 CG GLN A 50 4.079 -7.346 -11.853 1.00 0.00 C ATOM 699 CD GLN A 50 3.626 -8.723 -11.365 1.00 0.00 C ATOM 700 OE1 GLN A 50 4.139 -9.076 -10.190 1.00 0.00 O flip ATOM 701 NE2 GLN A 50 2.861 -9.418 -12.012 1.00 0.00 N flip ATOM 0 H GLN A 50 4.479 -4.597 -10.925 1.00 0.00 H new ATOM 0 HA GLN A 50 3.593 -5.316 -13.613 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.576 -6.146 -10.874 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.061 -6.820 -12.407 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.516 -7.434 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.859 -6.962 -11.196 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.504 -9.086 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.578 -10.332 -11.657 1.00 0.00 H new ATOM 708 N THR A 51 1.665 -3.684 -11.483 1.00 0.00 N ATOM 709 CA THR A 51 0.545 -2.762 -11.392 1.00 0.00 C ATOM 710 C THR A 51 0.790 -1.538 -12.277 1.00 0.00 C ATOM 711 O THR A 51 -0.133 -1.034 -12.915 1.00 0.00 O ATOM 712 CB THR A 51 0.337 -2.414 -9.917 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.552 -3.422 -9.444 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.441 -1.111 -9.727 1.00 0.00 C ATOM 0 H THR A 51 2.054 -3.972 -10.585 1.00 0.00 H new ATOM 0 HA THR A 51 -0.373 -3.216 -11.765 1.00 0.00 H new ATOM 0 HB THR A 51 1.305 -2.333 -9.423 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.440 -3.285 -9.835 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.561 -0.911 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.105 -0.290 -10.191 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.423 -1.202 -10.192 1.00 0.00 H new ATOM 722 N GLU A 52 2.039 -1.094 -12.287 1.00 0.00 N ATOM 723 CA GLU A 52 2.417 0.061 -13.083 1.00 0.00 C ATOM 724 C GLU A 52 2.464 -0.309 -14.566 1.00 0.00 C ATOM 725 O GLU A 52 2.711 0.546 -15.415 1.00 0.00 O ATOM 726 CB GLU A 52 3.757 0.632 -12.617 1.00 0.00 C ATOM 727 CG GLU A 52 3.611 1.353 -11.276 1.00 0.00 C ATOM 728 CD GLU A 52 4.843 1.133 -10.396 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.854 0.593 -10.870 1.00 0.00 O ATOM 730 OE2 GLU A 52 4.727 1.547 -9.181 1.00 0.00 O ATOM 0 H GLU A 52 2.802 -1.514 -11.756 1.00 0.00 H new ATOM 0 HA GLU A 52 1.662 0.835 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.486 -0.173 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.141 1.325 -13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.468 2.420 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.722 0.991 -10.760 1.00 0.00 H new ATOM 736 N ASP A 53 2.222 -1.585 -14.833 1.00 0.00 N ATOM 737 CA ASP A 53 2.234 -2.077 -16.200 1.00 0.00 C ATOM 738 C ASP A 53 0.835 -2.575 -16.570 1.00 0.00 C ATOM 739 O ASP A 53 0.192 -2.024 -17.462 1.00 0.00 O ATOM 740 CB ASP A 53 3.208 -3.247 -16.355 1.00 0.00 C ATOM 741 CG ASP A 53 4.198 -3.114 -17.513 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.816 -2.786 -18.646 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.427 -3.369 -17.212 1.00 0.00 O ATOM 0 H ASP A 53 2.017 -2.292 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 53 2.545 -1.260 -16.850 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.770 -3.358 -15.427 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.633 -4.163 -16.491 1.00 0.00 H new ATOM 748 N LYS A 54 0.404 -3.611 -15.865 1.00 0.00 N ATOM 749 CA LYS A 54 -0.907 -4.188 -16.109 1.00 0.00 C ATOM 750 C LYS A 54 -1.932 -3.064 -16.269 1.00 0.00 C ATOM 751 O LYS A 54 -2.809 -3.137 -17.130 1.00 0.00 O ATOM 752 CB LYS A 54 -1.262 -5.193 -15.011 1.00 0.00 C ATOM 753 CG LYS A 54 -0.831 -6.609 -15.403 1.00 0.00 C ATOM 754 CD LYS A 54 -1.205 -7.616 -14.314 1.00 0.00 C ATOM 755 CE LYS A 54 -0.521 -8.963 -14.555 1.00 0.00 C ATOM 756 NZ LYS A 54 -1.457 -10.076 -14.284 1.00 0.00 N ATOM 0 H LYS A 54 0.939 -4.065 -15.125 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.907 -4.755 -17.040 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.775 -4.906 -14.079 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.336 -5.173 -14.829 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.306 -6.891 -16.343 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.246 -6.632 -15.571 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.915 -7.226 -13.338 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.286 -7.751 -14.295 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.168 -9.019 -15.585 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.355 -9.053 -13.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.976 -10.983 -14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.773 -10.031 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.281 -9.998 -14.914 1.00 0.00 H new ATOM 765 N TYR A 55 -1.790 -2.052 -15.427 1.00 0.00 N ATOM 766 CA TYR A 55 -2.694 -0.915 -15.465 1.00 0.00 C ATOM 767 C TYR A 55 -2.024 0.296 -16.118 1.00 0.00 C ATOM 768 O TYR A 55 -2.637 0.985 -16.932 1.00 0.00 O ATOM 769 CB TYR A 55 -3.012 -0.581 -14.006 1.00 0.00 C ATOM 770 CG TYR A 55 -4.423 -0.981 -13.570 1.00 0.00 C ATOM 771 CD1 TYR A 55 -4.786 -2.312 -13.546 1.00 0.00 C ATOM 772 CD2 TYR A 55 -5.332 -0.010 -13.201 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.115 -2.688 -13.136 1.00 0.00 C ATOM 774 CE2 TYR A 55 -6.660 -0.387 -12.790 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.986 -1.707 -12.779 1.00 0.00 C ATOM 776 OH TYR A 55 -8.240 -2.063 -12.391 1.00 0.00 O ATOM 0 H TYR A 55 -1.063 -1.995 -14.714 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.586 -1.153 -16.044 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.288 -1.082 -13.363 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.886 0.491 -13.853 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.074 -3.071 -13.834 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.048 1.032 -13.220 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.413 -3.726 -13.113 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.381 0.362 -12.497 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.263 -3.024 -12.201 1.00 0.00 H new ATOM 785 N GLY A 56 -0.774 0.518 -15.736 1.00 0.00 N ATOM 786 CA GLY A 56 -0.015 1.634 -16.275 1.00 0.00 C ATOM 787 C GLY A 56 0.063 2.782 -15.266 1.00 0.00 C ATOM 788 O GLY A 56 0.553 3.863 -15.587 1.00 0.00 O ATOM 0 H GLY A 56 -0.269 -0.055 -15.061 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.991 1.303 -16.534 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.482 1.985 -17.195 1.00 0.00 H new ATOM 792 N VAL A 57 -0.427 2.506 -14.066 1.00 0.00 N ATOM 793 CA VAL A 57 -0.419 3.503 -13.008 1.00 0.00 C ATOM 794 C VAL A 57 0.936 4.215 -12.995 1.00 0.00 C ATOM 795 O VAL A 57 1.955 3.625 -13.350 1.00 0.00 O ATOM 796 CB VAL A 57 -0.762 2.847 -11.669 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.081 2.077 -11.758 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.373 1.936 -11.197 1.00 0.00 C ATOM 0 H VAL A 57 -0.832 1.607 -13.803 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.183 4.259 -13.190 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.885 3.639 -10.930 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.302 1.620 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.885 2.762 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.998 1.299 -12.517 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.103 1.483 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.542 1.153 -11.936 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.284 2.523 -11.075 1.00 0.00 H new ATOM 808 N LYS A 58 0.902 5.473 -12.581 1.00 0.00 N ATOM 809 CA LYS A 58 2.114 6.272 -12.517 1.00 0.00 C ATOM 810 C LYS A 58 2.670 6.235 -11.092 1.00 0.00 C ATOM 811 O LYS A 58 2.224 6.987 -10.228 1.00 0.00 O ATOM 812 CB LYS A 58 1.851 7.687 -13.037 1.00 0.00 C ATOM 813 CG LYS A 58 0.907 8.449 -12.104 1.00 0.00 C ATOM 814 CD LYS A 58 -0.075 9.310 -12.901 1.00 0.00 C ATOM 815 CE LYS A 58 -1.269 8.481 -13.379 1.00 0.00 C ATOM 816 NZ LYS A 58 -2.026 9.215 -14.416 1.00 0.00 N ATOM 0 H LYS A 58 0.055 5.959 -12.287 1.00 0.00 H new ATOM 0 HA LYS A 58 2.880 5.854 -13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.794 8.227 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.418 7.636 -14.036 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.356 7.743 -11.483 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.487 9.081 -11.431 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.426 10.136 -12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.434 9.749 -13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.921 7.529 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.922 8.253 -12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.833 8.639 -14.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.374 10.112 -14.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.404 9.411 -15.226 1.00 0.00 H new ATOM 825 N ILE A 59 3.635 5.350 -10.892 1.00 0.00 N ATOM 826 CA ILE A 59 4.257 5.204 -9.586 1.00 0.00 C ATOM 827 C ILE A 59 5.729 4.829 -9.767 1.00 0.00 C ATOM 828 O ILE A 59 6.112 3.680 -9.551 1.00 0.00 O ATOM 829 CB ILE A 59 3.471 4.212 -8.726 1.00 0.00 C ATOM 830 CG1 ILE A 59 2.059 4.731 -8.442 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.229 3.880 -7.440 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.305 3.785 -7.507 1.00 0.00 C ATOM 0 H ILE A 59 4.002 4.727 -11.611 1.00 0.00 H new ATOM 0 HA ILE A 59 4.232 6.149 -9.044 1.00 0.00 H new ATOM 0 HB ILE A 59 3.366 3.283 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.116 5.723 -7.993 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.511 4.836 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.648 3.173 -6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.193 3.438 -7.690 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.387 4.792 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.305 4.177 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.229 2.801 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.843 3.702 -6.563 1.00 0.00 H new ATOM 843 N PRO A 60 6.536 5.847 -10.170 1.00 0.00 N ATOM 844 CA PRO A 60 7.958 5.635 -10.380 1.00 0.00 C ATOM 845 C PRO A 60 8.700 5.529 -9.047 1.00 0.00 C ATOM 846 O PRO A 60 8.133 5.806 -7.992 1.00 0.00 O ATOM 847 CB PRO A 60 8.410 6.819 -11.220 1.00 0.00 C ATOM 848 CG PRO A 60 7.336 7.881 -11.056 1.00 0.00 C ATOM 849 CD PRO A 60 6.118 7.220 -10.434 1.00 0.00 C ATOM 0 HA PRO A 60 8.173 4.696 -10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.379 7.189 -10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.522 6.535 -12.266 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.695 8.692 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.082 8.319 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.818 7.726 -9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.263 7.251 -11.109 1.00 0.00 H new ATOM 854 N ASP A 61 9.960 5.127 -9.138 1.00 0.00 N ATOM 855 CA ASP A 61 10.787 4.981 -7.952 1.00 0.00 C ATOM 856 C ASP A 61 10.836 6.314 -7.203 1.00 0.00 C ATOM 857 O ASP A 61 10.780 6.342 -5.975 1.00 0.00 O ATOM 858 CB ASP A 61 12.220 4.593 -8.324 1.00 0.00 C ATOM 859 CG ASP A 61 12.579 3.128 -8.071 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.366 2.259 -8.930 1.00 0.00 O ATOM 861 OD2 ASP A 61 13.107 2.887 -6.918 1.00 0.00 O ATOM 0 H ASP A 61 10.428 4.898 -10.015 1.00 0.00 H new ATOM 0 HA ASP A 61 10.352 4.198 -7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.378 4.813 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.909 5.223 -7.761 1.00 0.00 H new ATOM 866 N GLU A 62 10.942 7.386 -7.974 1.00 0.00 N ATOM 867 CA GLU A 62 11.000 8.719 -7.398 1.00 0.00 C ATOM 868 C GLU A 62 9.814 8.943 -6.458 1.00 0.00 C ATOM 869 O GLU A 62 9.848 9.836 -5.613 1.00 0.00 O ATOM 870 CB GLU A 62 11.042 9.787 -8.493 1.00 0.00 C ATOM 871 CG GLU A 62 11.439 11.147 -7.916 1.00 0.00 C ATOM 872 CD GLU A 62 12.267 11.949 -8.923 1.00 0.00 C ATOM 873 OE1 GLU A 62 13.294 11.457 -9.414 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.808 13.124 -9.193 1.00 0.00 O ATOM 0 H GLU A 62 10.989 7.359 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 62 11.919 8.804 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.753 9.494 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.065 9.862 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.544 11.708 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.012 11.004 -7.000 1.00 0.00 H new ATOM 880 N ASP A 63 8.794 8.117 -6.637 1.00 0.00 N ATOM 881 CA ASP A 63 7.599 8.215 -5.815 1.00 0.00 C ATOM 882 C ASP A 63 7.497 6.975 -4.924 1.00 0.00 C ATOM 883 O ASP A 63 7.037 7.061 -3.787 1.00 0.00 O ATOM 884 CB ASP A 63 6.339 8.281 -6.681 1.00 0.00 C ATOM 885 CG ASP A 63 5.652 9.647 -6.721 1.00 0.00 C ATOM 886 OD1 ASP A 63 4.826 9.972 -5.855 1.00 0.00 O ATOM 887 OD2 ASP A 63 6.002 10.403 -7.705 1.00 0.00 O ATOM 0 H ASP A 63 8.770 7.377 -7.339 1.00 0.00 H new ATOM 0 HA ASP A 63 7.673 9.123 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.601 7.993 -7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.625 7.543 -6.314 1.00 0.00 H new ATOM 892 N LEU A 64 7.934 5.852 -5.474 1.00 0.00 N ATOM 893 CA LEU A 64 7.897 4.597 -4.742 1.00 0.00 C ATOM 894 C LEU A 64 8.749 4.723 -3.478 1.00 0.00 C ATOM 895 O LEU A 64 8.644 3.901 -2.570 1.00 0.00 O ATOM 896 CB LEU A 64 8.311 3.436 -5.650 1.00 0.00 C ATOM 897 CG LEU A 64 7.710 2.071 -5.308 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.422 1.445 -4.106 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.200 2.175 -5.089 1.00 0.00 C ATOM 0 H LEU A 64 8.315 5.785 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 64 6.880 4.373 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.036 3.686 -6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.397 3.350 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 64 7.866 1.407 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.976 0.476 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.479 1.314 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.318 2.099 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.799 1.191 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.998 2.861 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.725 2.547 -5.997 1.00 0.00 H new ATOM 910 N ALA A 65 9.574 5.759 -3.461 1.00 0.00 N ATOM 911 CA ALA A 65 10.445 6.003 -2.323 1.00 0.00 C ATOM 912 C ALA A 65 9.620 6.581 -1.171 1.00 0.00 C ATOM 913 O ALA A 65 9.867 6.265 -0.007 1.00 0.00 O ATOM 914 CB ALA A 65 11.588 6.930 -2.744 1.00 0.00 C ATOM 0 H ALA A 65 9.658 6.439 -4.216 1.00 0.00 H new ATOM 0 HA ALA A 65 10.892 5.072 -1.975 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.241 7.113 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.160 6.462 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.178 7.876 -3.097 1.00 0.00 H new ATOM 920 N GLY A 66 8.657 7.415 -1.534 1.00 0.00 N ATOM 921 CA GLY A 66 7.795 8.039 -0.545 1.00 0.00 C ATOM 922 C GLY A 66 6.714 7.066 -0.068 1.00 0.00 C ATOM 923 O GLY A 66 6.485 6.928 1.132 1.00 0.00 O ATOM 0 H GLY A 66 8.455 7.673 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.391 8.371 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.328 8.926 -0.972 1.00 0.00 H new ATOM 927 N LEU A 67 6.080 6.417 -1.033 1.00 0.00 N ATOM 928 CA LEU A 67 5.029 5.461 -0.727 1.00 0.00 C ATOM 929 C LEU A 67 5.425 4.653 0.511 1.00 0.00 C ATOM 930 O LEU A 67 6.447 3.968 0.510 1.00 0.00 O ATOM 931 CB LEU A 67 4.719 4.596 -1.952 1.00 0.00 C ATOM 932 CG LEU A 67 4.100 5.324 -3.147 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.595 4.329 -4.193 1.00 0.00 C ATOM 934 CD2 LEU A 67 3.001 6.288 -2.694 1.00 0.00 C ATOM 0 H LEU A 67 6.274 6.534 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 67 4.101 5.979 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.644 4.121 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.042 3.798 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 67 4.877 5.923 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.160 4.872 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.427 3.720 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.838 3.684 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.578 6.792 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.217 5.731 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.424 7.029 -2.015 1.00 0.00 H new ATOM 945 N ARG A 68 4.595 4.762 1.538 1.00 0.00 N ATOM 946 CA ARG A 68 4.845 4.052 2.781 1.00 0.00 C ATOM 947 C ARG A 68 3.779 2.975 3.000 1.00 0.00 C ATOM 948 O ARG A 68 4.082 1.888 3.488 1.00 0.00 O ATOM 949 CB ARG A 68 4.847 5.010 3.973 1.00 0.00 C ATOM 950 CG ARG A 68 6.242 5.114 4.591 1.00 0.00 C ATOM 951 CD ARG A 68 6.191 4.892 6.104 1.00 0.00 C ATOM 952 NE ARG A 68 7.002 5.918 6.794 1.00 0.00 N ATOM 953 CZ ARG A 68 6.536 7.129 7.166 1.00 0.00 C ATOM 954 NH1 ARG A 68 5.256 7.476 6.915 1.00 0.00 N ATOM 955 NH2 ARG A 68 7.351 7.969 7.778 1.00 0.00 N ATOM 0 H ARG A 68 3.749 5.331 1.535 1.00 0.00 H new ATOM 0 HA ARG A 68 5.827 3.586 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.513 5.997 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.138 4.663 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.902 4.376 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.665 6.096 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.159 4.938 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.565 3.897 6.347 1.00 0.00 H new ATOM 0 HE ARG A 68 7.976 5.697 7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.634 6.821 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.911 8.393 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.317 7.699 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.014 8.888 8.066 1.00 0.00 H new ATOM 964 N THR A 69 2.554 3.317 2.629 1.00 0.00 N ATOM 965 CA THR A 69 1.442 2.395 2.780 1.00 0.00 C ATOM 966 C THR A 69 0.576 2.394 1.519 1.00 0.00 C ATOM 967 O THR A 69 0.739 3.247 0.648 1.00 0.00 O ATOM 968 CB THR A 69 0.674 2.782 4.045 1.00 0.00 C ATOM 969 OG1 THR A 69 0.359 4.158 3.852 1.00 0.00 O ATOM 970 CG2 THR A 69 1.559 2.774 5.293 1.00 0.00 C ATOM 0 H THR A 69 2.307 4.220 2.224 1.00 0.00 H new ATOM 0 HA THR A 69 1.792 1.369 2.897 1.00 0.00 H new ATOM 0 HB THR A 69 -0.160 2.095 4.187 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.142 4.491 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.965 3.056 6.162 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.969 1.775 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.375 3.486 5.165 1.00 0.00 H new ATOM 978 N VAL A 70 -0.328 1.426 1.462 1.00 0.00 N ATOM 979 CA VAL A 70 -1.222 1.303 0.322 1.00 0.00 C ATOM 980 C VAL A 70 -1.914 2.645 0.075 1.00 0.00 C ATOM 981 O VAL A 70 -1.871 3.176 -1.034 1.00 0.00 O ATOM 982 CB VAL A 70 -2.206 0.156 0.550 1.00 0.00 C ATOM 983 CG1 VAL A 70 -2.965 -0.179 -0.735 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.491 -1.079 1.102 1.00 0.00 C ATOM 0 H VAL A 70 -0.461 0.720 2.186 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.660 1.056 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.933 0.482 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.658 -0.998 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.521 0.697 -1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.257 -0.475 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.214 -1.880 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.731 -1.407 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.018 -0.831 2.052 1.00 0.00 H new ATOM 994 N GLY A 71 -2.536 3.156 1.128 1.00 0.00 N ATOM 995 CA GLY A 71 -3.238 4.426 1.038 1.00 0.00 C ATOM 996 C GLY A 71 -2.403 5.461 0.280 1.00 0.00 C ATOM 997 O GLY A 71 -2.943 6.260 -0.482 1.00 0.00 O ATOM 0 H GLY A 71 -2.569 2.714 2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.193 4.283 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.460 4.795 2.039 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.100 5.412 0.517 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.187 6.336 -0.134 1.00 0.00 C ATOM 1003 C ASP A 72 0.111 5.838 -1.550 1.00 0.00 C ATOM 1004 O ASP A 72 0.217 6.634 -2.482 1.00 0.00 O ATOM 1005 CB ASP A 72 1.139 6.425 0.625 1.00 0.00 C ATOM 1006 CG ASP A 72 1.814 7.797 0.589 1.00 0.00 C ATOM 1007 OD1 ASP A 72 1.237 8.779 0.097 1.00 0.00 O ATOM 1008 OD2 ASP A 72 2.997 7.838 1.101 1.00 0.00 O ATOM 0 H ASP A 72 -0.655 4.747 1.150 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.658 7.319 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.964 6.150 1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.827 5.687 0.212 1.00 0.00 H new ATOM 1013 N VAL A 73 0.239 4.524 -1.667 1.00 0.00 N ATOM 1014 CA VAL A 73 0.523 3.911 -2.953 1.00 0.00 C ATOM 1015 C VAL A 73 -0.708 4.035 -3.854 1.00 0.00 C ATOM 1016 O VAL A 73 -0.613 3.850 -5.067 1.00 0.00 O ATOM 1017 CB VAL A 73 0.974 2.463 -2.754 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.415 1.839 -4.080 1.00 0.00 C ATOM 1019 CG2 VAL A 73 2.090 2.375 -1.710 1.00 0.00 C ATOM 0 H VAL A 73 0.151 3.867 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 73 1.344 4.428 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 73 0.121 1.895 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.731 0.810 -3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.582 1.852 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.247 2.410 -4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.392 1.335 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.945 2.965 -2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.729 2.762 -0.757 1.00 0.00 H new ATOM 1029 N VAL A 74 -1.832 4.348 -3.227 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.079 4.498 -3.958 1.00 0.00 C ATOM 1031 C VAL A 74 -3.318 5.981 -4.248 1.00 0.00 C ATOM 1032 O VAL A 74 -3.504 6.370 -5.400 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.224 3.849 -3.178 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.562 4.065 -3.888 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -3.958 2.359 -2.952 1.00 0.00 C ATOM 0 H VAL A 74 -1.906 4.502 -2.221 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.025 3.983 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.280 4.331 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.359 3.594 -3.313 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.760 5.133 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.522 3.622 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.787 1.922 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.862 1.856 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.035 2.236 -2.385 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.307 6.769 -3.183 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.522 8.201 -3.309 1.00 0.00 C ATOM 1047 C ALA A 75 -2.619 8.751 -4.414 1.00 0.00 C ATOM 1048 O ALA A 75 -3.097 9.393 -5.350 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.269 8.875 -1.959 1.00 0.00 C ATOM 0 H ALA A 75 -3.153 6.443 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.554 8.412 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.430 9.949 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.955 8.469 -1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.242 8.688 -1.646 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.330 8.482 -4.271 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.356 8.943 -5.246 1.00 0.00 C ATOM 1057 C TYR A 76 -0.866 8.730 -6.673 1.00 0.00 C ATOM 1058 O TYR A 76 -0.496 9.469 -7.585 1.00 0.00 O ATOM 1059 CB TYR A 76 0.894 8.087 -5.031 1.00 0.00 C ATOM 1060 CG TYR A 76 1.953 8.744 -4.143 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.568 9.582 -3.116 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.292 8.497 -4.368 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.565 10.200 -2.280 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.288 9.114 -3.532 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.875 9.935 -2.529 1.00 0.00 C ATOM 1066 OH TYR A 76 4.816 10.519 -1.739 1.00 0.00 O ATOM 0 H TYR A 76 -0.937 7.950 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.160 10.008 -5.119 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.599 7.137 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.338 7.860 -6.000 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.520 9.774 -2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.593 7.841 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.278 10.859 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.339 8.929 -3.697 1.00 0.00 H new ATOM 0 HH TYR A 76 5.708 10.239 -2.032 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.708 7.718 -6.822 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.272 7.400 -8.122 1.00 0.00 C ATOM 1077 C ILE A 77 -3.440 8.343 -8.412 1.00 0.00 C ATOM 1078 O ILE A 77 -3.306 9.281 -9.196 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.646 5.917 -8.196 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.633 5.058 -7.435 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -2.807 5.463 -9.648 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -1.800 3.577 -7.782 1.00 0.00 C ATOM 0 H ILE A 77 -2.013 7.108 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.532 7.559 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.612 5.784 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.621 5.381 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.763 5.201 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.073 4.406 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.594 6.046 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.869 5.613 -10.182 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.068 2.989 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.805 3.252 -7.514 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.646 3.434 -8.852 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.561 8.062 -7.763 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.753 8.874 -7.940 1.00 0.00 C ATOM 1095 C GLN A 78 -5.412 10.358 -7.777 1.00 0.00 C ATOM 1096 O GLN A 78 -5.720 11.169 -8.650 1.00 0.00 O ATOM 1097 CB GLN A 78 -6.854 8.454 -6.965 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.249 6.992 -7.182 1.00 0.00 C ATOM 1099 CD GLN A 78 -7.910 6.410 -5.931 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.306 7.120 -5.020 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.006 5.085 -5.936 1.00 0.00 N ATOM 0 H GLN A 78 -4.669 7.283 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.130 8.716 -8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.510 8.593 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.726 9.094 -7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.934 6.918 -8.027 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.365 6.407 -7.436 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.654 4.551 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.432 4.602 -5.145 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.784 10.668 -6.653 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.399 12.039 -6.365 1.00 0.00 C ATOM 1110 C LYS A 79 -3.852 12.690 -7.637 1.00 0.00 C ATOM 1111 O LYS A 79 -4.165 13.842 -7.933 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.427 12.085 -5.184 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.082 11.540 -3.913 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.168 12.490 -3.404 1.00 0.00 C ATOM 1115 CE LYS A 79 -4.573 13.845 -3.017 1.00 0.00 C ATOM 1116 NZ LYS A 79 -4.716 14.811 -4.129 1.00 0.00 N ATOM 0 H LYS A 79 -4.532 9.993 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.267 12.621 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.537 11.501 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.100 13.111 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.516 10.561 -4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.325 11.400 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.926 12.628 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.668 12.048 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.074 14.228 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.520 13.727 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.100 15.706 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.786 14.983 -4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.363 14.423 -4.845 1.00 0.00 H new ATOM 1125 N LEU A 80 -3.046 11.923 -8.356 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.453 12.410 -9.590 1.00 0.00 C ATOM 1127 C LEU A 80 -3.561 12.690 -10.608 1.00 0.00 C ATOM 1128 O LEU A 80 -3.570 13.740 -11.248 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.387 11.435 -10.093 1.00 0.00 C ATOM 1130 CG LEU A 80 0.012 12.019 -10.301 1.00 0.00 C ATOM 1131 CD1 LEU A 80 0.016 13.039 -11.442 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.557 12.612 -9.001 1.00 0.00 C ATOM 0 H LEU A 80 -2.790 10.968 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.934 13.353 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.313 10.611 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.727 11.012 -11.038 1.00 0.00 H new ATOM 0 HG LEU A 80 0.681 11.209 -10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.022 13.439 -11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.301 12.554 -12.365 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.670 13.852 -11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.552 13.020 -9.176 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.106 13.406 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.613 11.833 -8.241 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.469 11.732 -10.723 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.579 11.861 -11.652 1.00 0.00 C ATOM 1145 C GLU A 81 -6.577 12.904 -11.144 1.00 0.00 C ATOM 1146 O GLU A 81 -7.393 13.413 -11.911 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.265 10.513 -11.880 1.00 0.00 C ATOM 1148 CG GLU A 81 -6.011 10.002 -13.299 1.00 0.00 C ATOM 1149 CD GLU A 81 -7.123 10.451 -14.250 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -8.219 9.871 -14.241 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -6.817 11.442 -15.017 1.00 0.00 O ATOM 0 H GLU A 81 -4.459 10.863 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.186 12.198 -12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.896 9.786 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.337 10.614 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.050 10.372 -13.656 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.951 8.914 -13.292 1.00 0.00 H new ATOM 1157 N GLU A 82 -6.479 13.192 -9.855 1.00 0.00 N ATOM 1158 CA GLU A 82 -7.362 14.166 -9.236 1.00 0.00 C ATOM 1159 C GLU A 82 -8.694 13.512 -8.864 1.00 0.00 C ATOM 1160 O GLU A 82 -9.626 13.491 -9.666 1.00 0.00 O ATOM 1161 CB GLU A 82 -7.580 15.371 -10.153 1.00 0.00 C ATOM 1162 CG GLU A 82 -6.258 15.839 -10.766 1.00 0.00 C ATOM 1163 CD GLU A 82 -6.395 17.245 -11.354 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -6.045 18.232 -10.689 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -6.884 17.292 -12.547 1.00 0.00 O ATOM 0 H GLU A 82 -5.801 12.768 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.889 14.528 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.280 15.107 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.032 16.186 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.478 15.833 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.948 15.143 -11.546 1.00 0.00 H new ATOM 1171 N GLU A 83 -8.743 12.994 -7.644 1.00 0.00 N ATOM 1172 CA GLU A 83 -9.946 12.341 -7.156 1.00 0.00 C ATOM 1173 C GLU A 83 -10.333 12.899 -5.786 1.00 0.00 C ATOM 1174 O GLU A 83 -11.336 13.601 -5.658 1.00 0.00 O ATOM 1175 CB GLU A 83 -9.761 10.824 -7.098 1.00 0.00 C ATOM 1176 CG GLU A 83 -9.599 10.236 -8.502 1.00 0.00 C ATOM 1177 CD GLU A 83 -10.447 8.974 -8.669 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -11.682 9.059 -8.727 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -9.777 7.874 -8.740 1.00 0.00 O ATOM 0 H GLU A 83 -7.969 13.014 -6.980 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.757 12.548 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.884 10.584 -6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.620 10.368 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.892 10.976 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.550 10.000 -8.683 1.00 0.00 H new ATOM 1185 N ASN A 84 -9.519 12.566 -4.795 1.00 0.00 N ATOM 1186 CA ASN A 84 -9.764 13.026 -3.439 1.00 0.00 C ATOM 1187 C ASN A 84 -8.668 14.014 -3.033 1.00 0.00 C ATOM 1188 O ASN A 84 -7.595 13.608 -2.589 1.00 0.00 O ATOM 1189 CB ASN A 84 -9.738 11.859 -2.448 1.00 0.00 C ATOM 1190 CG ASN A 84 -10.742 12.079 -1.315 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -11.911 12.349 -1.532 1.00 0.00 O ATOM 1192 ND2 ASN A 84 -10.221 11.948 -0.098 1.00 0.00 N ATOM 0 H ASN A 84 -8.689 11.983 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.746 13.498 -3.416 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.970 10.930 -2.969 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.735 11.751 -2.034 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.810 12.075 0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.233 11.720 0.012 1.00 0.00 H new ATOM 1198 N PRO A 85 -8.984 15.325 -3.205 1.00 0.00 N ATOM 1199 CA PRO A 85 -8.040 16.374 -2.863 1.00 0.00 C ATOM 1200 C PRO A 85 -7.950 16.559 -1.346 1.00 0.00 C ATOM 1201 O PRO A 85 -8.097 17.672 -0.843 1.00 0.00 O ATOM 1202 CB PRO A 85 -8.548 17.612 -3.583 1.00 0.00 C ATOM 1203 CG PRO A 85 -10.003 17.330 -3.921 1.00 0.00 C ATOM 1204 CD PRO A 85 -10.245 15.842 -3.728 1.00 0.00 C ATOM 0 HA PRO A 85 -7.022 16.140 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -8.458 18.496 -2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.968 17.805 -4.485 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.664 17.911 -3.278 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -10.220 17.622 -4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.065 15.661 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.511 15.359 -4.668 1.00 0.00 H new ATOM 1209 N GLU A 86 -7.714 15.451 -0.661 1.00 0.00 N ATOM 1210 CA GLU A 86 -7.603 15.476 0.788 1.00 0.00 C ATOM 1211 C GLU A 86 -6.306 14.798 1.235 1.00 0.00 C ATOM 1212 O GLU A 86 -5.425 15.446 1.797 1.00 0.00 O ATOM 1213 CB GLU A 86 -8.819 14.816 1.442 1.00 0.00 C ATOM 1214 CG GLU A 86 -8.904 15.173 2.927 1.00 0.00 C ATOM 1215 CD GLU A 86 -10.361 15.272 3.385 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -10.971 14.251 3.737 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -10.858 16.463 3.367 1.00 0.00 O ATOM 0 H GLU A 86 -7.596 14.529 -1.082 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.576 16.516 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.729 15.137 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.755 13.734 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.384 14.418 3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.398 16.121 3.106 1.00 0.00 H new ATOM 1223 N ALA A 87 -6.230 13.503 0.967 1.00 0.00 N ATOM 1224 CA ALA A 87 -5.055 12.731 1.333 1.00 0.00 C ATOM 1225 C ALA A 87 -5.133 11.350 0.679 1.00 0.00 C ATOM 1226 O ALA A 87 -4.294 11.005 -0.151 1.00 0.00 O ATOM 1227 CB ALA A 87 -4.954 12.649 2.858 1.00 0.00 C ATOM 0 H ALA A 87 -6.963 12.969 0.501 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.149 13.216 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.073 12.070 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.872 13.654 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.846 12.165 3.256 1.00 0.00 H new ATOM 1233 N ALA A 88 -6.148 10.598 1.078 1.00 0.00 N ATOM 1234 CA ALA A 88 -6.346 9.263 0.541 1.00 0.00 C ATOM 1235 C ALA A 88 -7.625 8.665 1.130 1.00 0.00 C ATOM 1236 O ALA A 88 -8.423 9.375 1.741 1.00 0.00 O ATOM 1237 CB ALA A 88 -5.113 8.406 0.835 1.00 0.00 C ATOM 0 H ALA A 88 -6.842 10.888 1.767 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.467 9.299 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.262 7.404 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.237 8.858 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.961 8.345 1.913 1.00 0.00 H new ATOM 1243 N GLN A 89 -7.783 7.366 0.925 1.00 0.00 N ATOM 1244 CA GLN A 89 -8.952 6.664 1.429 1.00 0.00 C ATOM 1245 C GLN A 89 -8.727 6.229 2.878 1.00 0.00 C ATOM 1246 O GLN A 89 -7.762 5.526 3.177 1.00 0.00 O ATOM 1247 CB GLN A 89 -9.295 5.465 0.543 1.00 0.00 C ATOM 1248 CG GLN A 89 -8.989 5.762 -0.925 1.00 0.00 C ATOM 1249 CD GLN A 89 -7.785 4.951 -1.410 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -8.103 3.939 -2.213 1.00 0.00 O flip ATOM 1251 NE2 GLN A 89 -6.644 5.225 -1.077 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.121 6.780 0.416 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.801 7.347 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.726 4.594 0.868 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.350 5.216 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.860 5.527 -1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.789 6.826 -1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.470 6.016 -0.457 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -5.864 4.663 -1.418 1.00 0.00 H new ATOM 1258 N ALA A 90 -9.632 6.667 3.741 1.00 0.00 N ATOM 1259 CA ALA A 90 -9.545 6.331 5.153 1.00 0.00 C ATOM 1260 C ALA A 90 -8.468 7.195 5.812 1.00 0.00 C ATOM 1261 O ALA A 90 -7.890 6.807 6.826 1.00 0.00 O ATOM 1262 CB ALA A 90 -9.266 4.835 5.305 1.00 0.00 C ATOM 0 H ALA A 90 -10.429 7.252 3.490 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.489 6.539 5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.201 4.583 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.074 4.266 4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.324 4.589 4.815 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.231 8.351 5.209 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.234 9.274 5.725 1.00 0.00 C ATOM 1270 C LEU A 91 -7.753 9.909 7.017 1.00 0.00 C ATOM 1271 O LEU A 91 -8.930 10.256 7.113 1.00 0.00 O ATOM 1272 CB LEU A 91 -6.842 10.294 4.653 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.741 11.527 4.540 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -9.194 11.124 4.279 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -7.606 12.419 5.775 1.00 0.00 C ATOM 0 H LEU A 91 -8.712 8.670 4.368 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.317 8.742 5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.824 10.628 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.828 9.789 3.687 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.411 12.113 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.812 12.019 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.254 10.561 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.553 10.504 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.255 13.288 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.894 11.857 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.572 12.749 5.874 1.00 0.00 H new ATOM 1286 N ARG A 92 -6.851 10.040 7.978 1.00 0.00 N ATOM 1287 CA ARG A 92 -7.203 10.627 9.260 1.00 0.00 C ATOM 1288 C ARG A 92 -5.971 10.706 10.163 1.00 0.00 C ATOM 1289 O ARG A 92 -6.031 10.332 11.334 1.00 0.00 O ATOM 1290 CB ARG A 92 -8.290 9.810 9.960 1.00 0.00 C ATOM 1291 CG ARG A 92 -7.779 8.412 10.318 1.00 0.00 C ATOM 1292 CD ARG A 92 -8.339 7.954 11.666 1.00 0.00 C ATOM 1293 NE ARG A 92 -9.560 7.143 11.459 1.00 0.00 N ATOM 1294 CZ ARG A 92 -10.362 6.714 12.455 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -10.079 7.016 13.741 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -11.427 5.995 12.155 1.00 0.00 N ATOM 0 H ARG A 92 -5.877 9.750 7.895 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.584 11.631 9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.612 10.326 10.864 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.162 9.727 9.312 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.068 7.705 9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.690 8.417 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.590 7.369 12.200 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.569 8.820 12.287 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.811 6.893 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.254 7.572 13.965 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.691 6.688 14.488 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.634 5.771 11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.044 5.663 12.897 1.00 0.00 H new ATOM 1305 N ALA A 93 -4.884 11.195 9.587 1.00 0.00 N ATOM 1306 CA ALA A 93 -3.639 11.327 10.325 1.00 0.00 C ATOM 1307 C ALA A 93 -2.947 12.630 9.920 1.00 0.00 C ATOM 1308 O ALA A 93 -2.898 13.580 10.700 1.00 0.00 O ATOM 1309 CB ALA A 93 -2.763 10.098 10.075 1.00 0.00 C ATOM 0 H ALA A 93 -4.839 11.505 8.616 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.832 11.376 11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.829 10.198 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.288 9.203 10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.546 10.016 9.010 1.00 0.00 H new ATOM 1315 N LYS A 94 -2.427 12.632 8.701 1.00 0.00 N ATOM 1316 CA LYS A 94 -1.739 13.802 8.184 1.00 0.00 C ATOM 1317 C LYS A 94 -2.265 14.120 6.783 1.00 0.00 C ATOM 1318 O LYS A 94 -3.037 13.347 6.216 1.00 0.00 O ATOM 1319 CB LYS A 94 -0.223 13.601 8.240 1.00 0.00 C ATOM 1320 CG LYS A 94 0.313 13.867 9.648 1.00 0.00 C ATOM 1321 CD LYS A 94 1.695 14.522 9.594 1.00 0.00 C ATOM 1322 CE LYS A 94 2.701 13.749 10.449 1.00 0.00 C ATOM 1323 NZ LYS A 94 3.558 12.895 9.597 1.00 0.00 N ATOM 0 H LYS A 94 -2.469 11.842 8.057 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.946 14.672 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.024 12.583 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.263 14.270 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.379 14.513 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.372 12.930 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.043 14.561 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.628 15.551 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.320 14.447 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.172 13.133 11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.235 12.378 10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.965 12.217 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.077 13.490 8.920 1.00 0.00 H new ATOM 1332 N ILE A 95 -1.828 15.257 6.265 1.00 0.00 N ATOM 1333 CA ILE A 95 -2.244 15.686 4.941 1.00 0.00 C ATOM 1334 C ILE A 95 -1.208 15.232 3.912 1.00 0.00 C ATOM 1335 O ILE A 95 -1.554 14.601 2.914 1.00 0.00 O ATOM 1336 CB ILE A 95 -2.508 17.194 4.924 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -3.646 17.562 5.879 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -2.771 17.689 3.501 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -4.971 16.959 5.411 1.00 0.00 C ATOM 0 H ILE A 95 -1.189 15.896 6.739 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.190 15.217 4.669 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.612 17.702 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.414 17.204 6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.737 18.646 5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.955 18.763 3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.902 17.480 2.877 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.643 17.177 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.763 17.236 6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.212 17.338 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.884 15.873 5.374 1.00 0.00 H new ATOM 1350 N GLU A 96 0.042 15.571 4.189 1.00 0.00 N ATOM 1351 CA GLU A 96 1.132 15.206 3.300 1.00 0.00 C ATOM 1352 C GLU A 96 1.357 13.693 3.329 1.00 0.00 C ATOM 1353 O GLU A 96 2.109 13.157 2.517 1.00 0.00 O ATOM 1354 CB GLU A 96 2.413 15.959 3.664 1.00 0.00 C ATOM 1355 CG GLU A 96 2.984 16.690 2.448 1.00 0.00 C ATOM 1356 CD GLU A 96 3.411 15.699 1.362 1.00 0.00 C ATOM 1357 OE1 GLU A 96 2.602 15.345 0.492 1.00 0.00 O ATOM 1358 OE2 GLU A 96 4.634 15.295 1.444 1.00 0.00 O ATOM 0 H GLU A 96 0.325 16.095 5.017 1.00 0.00 H new ATOM 0 HA GLU A 96 0.858 15.493 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.204 16.675 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.153 15.259 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.237 17.375 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.839 17.294 2.751 1.00 0.00 H new ATOM 1364 N SER A 97 0.691 13.046 4.275 1.00 0.00 N ATOM 1365 CA SER A 97 0.809 11.605 4.422 1.00 0.00 C ATOM 1366 C SER A 97 -0.569 10.990 4.675 1.00 0.00 C ATOM 1367 O SER A 97 -1.585 11.541 4.251 1.00 0.00 O ATOM 1368 CB SER A 97 1.767 11.244 5.558 1.00 0.00 C ATOM 1369 OG SER A 97 2.683 10.221 5.178 1.00 0.00 O ATOM 0 H SER A 97 0.068 13.494 4.947 1.00 0.00 H new ATOM 0 HA SER A 97 1.217 11.199 3.496 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.321 12.132 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.194 10.914 6.425 1.00 0.00 H new ATOM 0 HG SER A 97 3.279 10.020 5.930 1.00 0.00 H new ATOM 1374 N GLU A 98 -0.560 9.859 5.362 1.00 0.00 N ATOM 1375 CA GLU A 98 -1.796 9.164 5.677 1.00 0.00 C ATOM 1376 C GLU A 98 -1.557 8.121 6.770 1.00 0.00 C ATOM 1377 O GLU A 98 -0.414 7.758 7.046 1.00 0.00 O ATOM 1378 CB GLU A 98 -2.395 8.517 4.426 1.00 0.00 C ATOM 1379 CG GLU A 98 -3.924 8.551 4.468 1.00 0.00 C ATOM 1380 CD GLU A 98 -4.497 7.155 4.720 1.00 0.00 C ATOM 1381 OE1 GLU A 98 -4.476 6.673 5.862 1.00 0.00 O ATOM 1382 OE2 GLU A 98 -4.977 6.567 3.677 1.00 0.00 O ATOM 0 H GLU A 98 0.285 9.405 5.710 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.514 9.894 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.041 9.039 3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.053 7.485 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.255 9.231 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.309 8.941 3.526 1.00 0.00 H new ATOM 1388 N ASN A 99 -2.652 7.669 7.364 1.00 0.00 N ATOM 1389 CA ASN A 99 -2.574 6.676 8.421 1.00 0.00 C ATOM 1390 C ASN A 99 -3.988 6.323 8.888 1.00 0.00 C ATOM 1391 O ASN A 99 -4.609 7.084 9.628 1.00 0.00 O ATOM 1392 CB ASN A 99 -1.800 7.214 9.626 1.00 0.00 C ATOM 1393 CG ASN A 99 -1.007 6.097 10.310 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -1.397 5.562 11.334 1.00 0.00 O ATOM 1395 ND2 ASN A 99 0.125 5.779 9.689 1.00 0.00 N ATOM 0 H ASN A 99 -3.598 7.973 7.133 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.061 5.800 8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.120 8.003 9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.493 7.662 10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.726 5.047 10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 99 0.392 6.267 8.834 1.00 0.00 H new ATOM 1401 N PRO A 100 -4.468 5.138 8.423 1.00 0.00 N ATOM 1402 CA PRO A 100 -5.797 4.676 8.785 1.00 0.00 C ATOM 1403 C PRO A 100 -5.825 4.161 10.225 1.00 0.00 C ATOM 1404 O PRO A 100 -6.206 3.019 10.472 1.00 0.00 O ATOM 1405 CB PRO A 100 -6.131 3.601 7.763 1.00 0.00 C ATOM 1406 CG PRO A 100 -4.803 3.176 7.156 1.00 0.00 C ATOM 1407 CD PRO A 100 -3.760 4.212 7.544 1.00 0.00 C ATOM 0 HA PRO A 100 -6.540 5.473 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.633 2.756 8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.805 3.986 6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.515 2.190 7.520 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.885 3.104 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.914 3.751 8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.364 4.723 6.667 1.00 0.00 H new ATOM 1412 N ASP A 101 -5.416 5.030 11.138 1.00 0.00 N ATOM 1413 CA ASP A 101 -5.390 4.678 12.547 1.00 0.00 C ATOM 1414 C ASP A 101 -5.145 5.939 13.379 1.00 0.00 C ATOM 1415 O ASP A 101 -4.163 6.647 13.163 1.00 0.00 O ATOM 1416 CB ASP A 101 -4.263 3.687 12.847 1.00 0.00 C ATOM 1417 CG ASP A 101 -4.552 2.703 13.982 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -5.696 2.263 14.170 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -3.530 2.384 14.701 1.00 0.00 O ATOM 0 H ASP A 101 -5.100 5.977 10.929 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.348 4.222 12.798 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.047 3.120 11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.362 4.249 13.094 1.00 0.00 H new ATOM 1424 N ALA A 102 -6.054 6.179 14.313 1.00 0.00 N ATOM 1425 CA ALA A 102 -5.948 7.342 15.178 1.00 0.00 C ATOM 1426 C ALA A 102 -6.606 7.032 16.524 1.00 0.00 C ATOM 1427 O ALA A 102 -7.264 7.891 17.109 1.00 0.00 O ATOM 1428 CB ALA A 102 -6.578 8.552 14.485 1.00 0.00 C ATOM 0 H ALA A 102 -6.867 5.588 14.490 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.903 7.584 15.370 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.499 9.425 15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.056 8.747 13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.629 8.347 14.279 1.00 0.00 H new ATOM 1434 N VAL A 103 -6.404 5.803 16.976 1.00 0.00 N ATOM 1435 CA VAL A 103 -6.970 5.370 18.242 1.00 0.00 C ATOM 1436 C VAL A 103 -5.855 4.817 19.131 1.00 0.00 C ATOM 1437 O VAL A 103 -4.816 4.386 18.634 1.00 0.00 O ATOM 1438 CB VAL A 103 -8.093 4.360 17.995 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -9.033 4.280 19.199 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -8.865 4.699 16.718 1.00 0.00 C ATOM 0 H VAL A 103 -5.857 5.094 16.488 1.00 0.00 H new ATOM 0 HA VAL A 103 -7.418 6.213 18.768 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.637 3.379 17.860 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.822 3.555 18.997 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -8.471 3.969 20.079 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.477 5.259 19.379 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.657 3.966 16.566 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.303 5.693 16.811 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -8.185 4.680 15.866 1.00 0.00 H new ATOM 1450 N ALA A 104 -6.108 4.848 20.431 1.00 0.00 N ATOM 1451 CA ALA A 104 -5.138 4.356 21.395 1.00 0.00 C ATOM 1452 C ALA A 104 -5.815 4.198 22.758 1.00 0.00 C ATOM 1453 O ALA A 104 -5.273 4.626 23.777 1.00 0.00 O ATOM 1454 CB ALA A 104 -3.940 5.305 21.444 1.00 0.00 C ATOM 0 H ALA A 104 -6.971 5.206 20.840 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.764 3.376 21.098 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.213 4.936 22.167 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.477 5.358 20.459 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.275 6.299 21.741 1.00 0.00 H new ATOM 1460 N ASN A 105 -6.987 3.581 22.734 1.00 0.00 N ATOM 1461 CA ASN A 105 -7.743 3.363 23.956 1.00 0.00 C ATOM 1462 C ASN A 105 -6.798 2.868 25.052 1.00 0.00 C ATOM 1463 O ASN A 105 -5.672 2.461 24.771 1.00 0.00 O ATOM 1464 CB ASN A 105 -8.826 2.301 23.750 1.00 0.00 C ATOM 1465 CG ASN A 105 -10.068 2.905 23.092 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -10.655 3.859 23.574 1.00 0.00 O ATOM 1467 ND2 ASN A 105 -10.434 2.296 21.967 1.00 0.00 N ATOM 0 H ASN A 105 -7.432 3.225 21.888 1.00 0.00 H new ATOM 0 HA ASN A 105 -8.211 4.306 24.237 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -8.436 1.495 23.128 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -9.096 1.861 24.710 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.252 2.623 21.453 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -9.897 1.502 21.619 1.00 0.00 H new ATOM 1473 N VAL A 106 -7.292 2.920 26.281 1.00 0.00 N ATOM 1474 CA VAL A 106 -6.505 2.483 27.423 1.00 0.00 C ATOM 1475 C VAL A 106 -7.256 1.371 28.158 1.00 0.00 C ATOM 1476 O VAL A 106 -8.424 1.112 27.871 1.00 0.00 O ATOM 1477 CB VAL A 106 -6.177 3.679 28.320 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -5.139 3.299 29.379 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -5.703 4.873 27.491 1.00 0.00 C ATOM 0 H VAL A 106 -8.227 3.258 26.511 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.551 2.069 27.095 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.091 3.973 28.836 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -4.923 4.166 30.004 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -5.531 2.493 29.999 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.224 2.968 28.889 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.477 5.709 28.153 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.807 4.597 26.935 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.487 5.165 26.793 1.00 0.00 H new ATOM 1489 N GLN A 107 -6.555 0.744 29.090 1.00 0.00 N ATOM 1490 CA GLN A 107 -7.140 -0.334 29.869 1.00 0.00 C ATOM 1491 C GLN A 107 -6.124 -0.873 30.877 1.00 0.00 C ATOM 1492 O GLN A 107 -5.362 -1.787 30.568 1.00 0.00 O ATOM 1493 CB GLN A 107 -7.655 -1.451 28.958 1.00 0.00 C ATOM 1494 CG GLN A 107 -8.164 -2.637 29.780 1.00 0.00 C ATOM 1495 CD GLN A 107 -8.711 -3.739 28.870 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -9.452 -3.495 27.932 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -8.306 -4.963 29.199 1.00 0.00 N ATOM 0 H GLN A 107 -5.586 0.962 29.324 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.992 0.063 30.420 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.458 -1.070 28.327 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -6.856 -1.780 28.293 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.354 -3.034 30.392 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -8.945 -2.303 30.463 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -7.685 -5.097 29.997 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.617 -5.767 28.653 1.00 0.00 H new ATOM 1504 N ALA A 108 -6.147 -0.284 32.064 1.00 0.00 N ATOM 1505 CA ALA A 108 -5.238 -0.693 33.120 1.00 0.00 C ATOM 1506 C ALA A 108 -5.560 0.087 34.397 1.00 0.00 C ATOM 1507 O ALA A 108 -4.657 0.588 35.067 1.00 0.00 O ATOM 1508 CB ALA A 108 -3.793 -0.487 32.659 1.00 0.00 C ATOM 0 H ALA A 108 -6.781 0.474 32.317 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.361 -1.753 33.342 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.111 -0.794 33.452 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -3.607 -1.086 31.768 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.631 0.566 32.429 1.00 0.00 H new ATOM 1514 N ARG A 109 -6.847 0.167 34.694 1.00 0.00 N ATOM 1515 CA ARG A 109 -7.301 0.879 35.877 1.00 0.00 C ATOM 1516 C ARG A 109 -8.508 0.169 36.494 1.00 0.00 C ATOM 1517 O ARG A 109 -9.562 0.775 36.675 1.00 0.00 O ATOM 1518 CB ARG A 109 -7.683 2.322 35.540 1.00 0.00 C ATOM 1519 CG ARG A 109 -8.741 2.364 34.435 1.00 0.00 C ATOM 1520 CD ARG A 109 -8.181 3.005 33.164 1.00 0.00 C ATOM 1521 NE ARG A 109 -7.822 4.417 33.425 1.00 0.00 N ATOM 1522 CZ ARG A 109 -8.723 5.405 33.609 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -10.047 5.142 33.564 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -8.292 6.632 33.835 1.00 0.00 N ATOM 0 H ARG A 109 -7.592 -0.250 34.136 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.478 0.891 36.592 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.064 2.819 36.432 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -6.797 2.872 35.222 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.084 1.353 34.216 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.609 2.927 34.779 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -7.303 2.455 32.826 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.919 2.951 32.364 1.00 0.00 H new ATOM 0 HE ARG A 109 -6.832 4.658 33.469 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.372 4.191 33.390 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -10.721 5.894 33.704 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.291 6.823 33.869 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -8.960 7.389 33.976 1.00 0.00 H new ATOM 1533 N LEU A 110 -8.311 -1.105 36.800 1.00 0.00 N ATOM 1534 CA LEU A 110 -9.370 -1.903 37.393 1.00 0.00 C ATOM 1535 C LEU A 110 -8.819 -2.654 38.607 1.00 0.00 C ATOM 1536 O LEU A 110 -7.679 -3.117 38.590 1.00 0.00 O ATOM 1537 CB LEU A 110 -10.006 -2.816 36.341 1.00 0.00 C ATOM 1538 CG LEU A 110 -11.078 -3.782 36.852 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -12.285 -3.020 37.400 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -11.476 -4.781 35.764 1.00 0.00 C ATOM 0 H LEU A 110 -7.434 -1.604 36.648 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.174 -1.261 37.753 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.448 -2.191 35.565 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.215 -3.399 35.868 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.658 -4.355 37.678 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -13.032 -3.729 37.757 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -11.968 -2.381 38.225 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -12.716 -2.405 36.610 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -12.239 -5.456 36.152 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -11.872 -4.243 34.903 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.601 -5.357 35.461 1.00 0.00 H new ATOM 1551 N GLU A 111 -9.653 -2.751 39.631 1.00 0.00 N ATOM 1552 CA GLU A 111 -9.264 -3.438 40.851 1.00 0.00 C ATOM 1553 C GLU A 111 -10.443 -4.234 41.412 1.00 0.00 C ATOM 1554 O GLU A 111 -11.300 -3.681 42.101 1.00 0.00 O ATOM 1555 CB GLU A 111 -8.727 -2.449 41.888 1.00 0.00 C ATOM 1556 CG GLU A 111 -7.399 -1.841 41.432 1.00 0.00 C ATOM 1557 CD GLU A 111 -6.226 -2.755 41.791 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -5.973 -3.002 42.979 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -5.565 -3.217 40.783 1.00 0.00 O ATOM 0 H GLU A 111 -10.597 -2.365 39.641 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.462 -4.136 40.612 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.457 -1.656 42.051 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.589 -2.957 42.843 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -7.421 -1.677 40.355 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.262 -0.866 41.900 1.00 0.00 H new ATOM 1565 N ALA A 112 -10.450 -5.521 41.096 1.00 0.00 N ATOM 1566 CA ALA A 112 -11.511 -6.399 41.561 1.00 0.00 C ATOM 1567 C ALA A 112 -10.912 -7.751 41.955 1.00 0.00 C ATOM 1568 O ALA A 112 -10.560 -8.554 41.093 1.00 0.00 O ATOM 1569 CB ALA A 112 -12.578 -6.531 40.473 1.00 0.00 C ATOM 0 H ALA A 112 -9.739 -5.977 40.524 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.995 -5.982 42.444 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.374 -7.189 40.822 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.992 -5.548 40.249 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -12.129 -6.950 39.572 1.00 0.00 H new ATOM 1575 N GLU A 113 -10.813 -7.961 43.260 1.00 0.00 N ATOM 1576 CA GLU A 113 -10.262 -9.201 43.780 1.00 0.00 C ATOM 1577 C GLU A 113 -10.905 -9.544 45.125 1.00 0.00 C ATOM 1578 O GLU A 113 -11.598 -10.553 45.247 1.00 0.00 O ATOM 1579 CB GLU A 113 -8.740 -9.115 43.904 1.00 0.00 C ATOM 1580 CG GLU A 113 -8.084 -10.446 43.534 1.00 0.00 C ATOM 1581 CD GLU A 113 -7.701 -11.236 44.788 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -8.585 -11.718 45.511 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -6.432 -11.342 44.999 1.00 0.00 O ATOM 0 H GLU A 113 -11.105 -7.293 43.973 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.490 -10.001 43.076 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -8.363 -8.326 43.253 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -8.469 -8.843 44.924 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.768 -11.035 42.923 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.195 -10.262 42.930 1.00 0.00 H new ATOM 1589 N SER A 114 -10.652 -8.686 46.101 1.00 0.00 N ATOM 1590 CA SER A 114 -11.196 -8.885 47.434 1.00 0.00 C ATOM 1591 C SER A 114 -10.825 -10.278 47.948 1.00 0.00 C ATOM 1592 O SER A 114 -10.301 -11.101 47.198 1.00 0.00 O ATOM 1593 CB SER A 114 -12.715 -8.706 47.440 1.00 0.00 C ATOM 1594 OG SER A 114 -13.154 -7.906 48.535 1.00 0.00 O ATOM 0 H SER A 114 -10.077 -7.850 45.996 1.00 0.00 H new ATOM 0 HA SER A 114 -10.765 -8.133 48.095 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.029 -8.244 46.504 1.00 0.00 H new ATOM 0 HB3 SER A 114 -13.195 -9.683 47.490 1.00 0.00 H new ATOM 0 HG SER A 114 -14.129 -7.814 48.503 1.00 0.00 H new ATOM 1599 N LYS A 115 -11.109 -10.499 49.223 1.00 0.00 N ATOM 1600 CA LYS A 115 -10.811 -11.777 49.846 1.00 0.00 C ATOM 1601 C LYS A 115 -11.617 -12.877 49.151 1.00 0.00 C ATOM 1602 O LYS A 115 -11.573 -13.007 47.929 1.00 0.00 O ATOM 1603 CB LYS A 115 -11.045 -11.705 51.356 1.00 0.00 C ATOM 1604 CG LYS A 115 -10.912 -13.087 51.999 1.00 0.00 C ATOM 1605 CD LYS A 115 -9.448 -13.412 52.300 1.00 0.00 C ATOM 1606 CE LYS A 115 -9.326 -14.264 53.566 1.00 0.00 C ATOM 1607 NZ LYS A 115 -9.974 -15.580 53.370 1.00 0.00 N ATOM 0 H LYS A 115 -11.543 -9.814 49.842 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.757 -12.025 49.722 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.327 -11.020 51.806 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.038 -11.302 51.555 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.493 -13.121 52.921 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.327 -13.844 51.333 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.008 -13.943 51.456 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.884 -12.487 52.423 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.275 -14.404 53.817 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.789 -13.746 54.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.809 -16.176 54.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -10.997 -15.447 53.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.572 -16.043 52.530 1.00 0.00 H new TER 1616 LYS A 115