USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.007) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 10 ASN : amide:sc= -5.29! C(o=-5.3!,f=-9.1!) USER MOD Single : A 11 THR OG1 : rot 81:sc= -7.76! USER MOD Single : A 14 HIS : no HD1:sc= -5.74! C(o=-5.7!,f=-2.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.298 (180deg=-2.09!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 15:sc= -4.23! USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0007) USER MOD Single : A 56 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.45) USER MOD Single : A 58 THR OG1 : rot -70:sc= 1.15 USER MOD Single : A 62 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.0055) USER MOD Single : A 63 ASN : amide:sc= -3.34 K(o=-3.3,f=-10!) USER MOD Single : A 64 GLN : amide:sc= -6.95! C(o=-6.9!,f=-7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -101:sc= 0.0954 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000238 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.677 28.865 -15.947 1.00 0.00 N ATOM 2 CA GLY A 1 4.974 29.760 -17.102 1.00 0.00 C ATOM 3 C GLY A 1 5.735 30.992 -16.611 1.00 0.00 C ATOM 4 O GLY A 1 6.933 31.101 -16.780 1.00 0.00 O ATOM 0 H1 GLY A 1 4.159 28.027 -16.281 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.568 28.567 -15.501 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.096 29.376 -15.252 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.566 29.227 -17.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.047 30.062 -17.589 1.00 0.00 H new ATOM 10 N SER A 2 5.051 31.921 -16.002 1.00 0.00 N ATOM 11 CA SER A 2 5.740 33.146 -15.501 1.00 0.00 C ATOM 12 C SER A 2 6.275 32.910 -14.085 1.00 0.00 C ATOM 13 O SER A 2 5.626 32.297 -13.260 1.00 0.00 O ATOM 14 CB SER A 2 4.667 34.232 -15.499 1.00 0.00 C ATOM 15 OG SER A 2 4.378 34.610 -16.839 1.00 0.00 O ATOM 0 H SER A 2 4.046 31.886 -15.829 1.00 0.00 H new ATOM 0 HA SER A 2 6.594 33.422 -16.119 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.764 33.866 -15.009 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.010 35.097 -14.931 1.00 0.00 H new ATOM 0 HG SER A 2 3.688 35.306 -16.841 1.00 0.00 H new ATOM 21 N HIS A 3 7.456 33.391 -13.800 1.00 0.00 N ATOM 22 CA HIS A 3 8.038 33.193 -12.439 1.00 0.00 C ATOM 23 C HIS A 3 6.983 33.464 -11.364 1.00 0.00 C ATOM 24 O HIS A 3 6.297 34.466 -11.393 1.00 0.00 O ATOM 25 CB HIS A 3 9.174 34.210 -12.342 1.00 0.00 C ATOM 26 CG HIS A 3 10.328 33.598 -11.598 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.905 34.208 -10.496 1.00 0.00 N ATOM 28 CD2 HIS A 3 11.021 32.427 -11.784 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.898 33.410 -10.064 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.012 32.310 -10.814 1.00 0.00 N ATOM 0 H HIS A 3 8.043 33.913 -14.451 1.00 0.00 H new ATOM 0 HA HIS A 3 8.389 32.172 -12.287 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.490 34.515 -13.340 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.831 35.108 -11.828 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.826 31.706 -12.565 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.527 33.631 -9.214 1.00 0.00 H new ATOM 0 HE2 HIS A 3 12.681 31.549 -10.700 1.00 0.00 H new ATOM 38 N MET A 4 6.850 32.578 -10.413 1.00 0.00 N ATOM 39 CA MET A 4 5.839 32.783 -9.335 1.00 0.00 C ATOM 40 C MET A 4 4.439 32.910 -9.941 1.00 0.00 C ATOM 41 O MET A 4 4.172 33.791 -10.734 1.00 0.00 O ATOM 42 CB MET A 4 6.247 34.088 -8.646 1.00 0.00 C ATOM 43 CG MET A 4 6.415 33.843 -7.145 1.00 0.00 C ATOM 44 SD MET A 4 6.620 35.428 -6.294 1.00 0.00 S ATOM 45 CE MET A 4 5.680 35.012 -4.804 1.00 0.00 C ATOM 0 H MET A 4 7.398 31.721 -10.336 1.00 0.00 H new ATOM 0 HA MET A 4 5.808 31.948 -8.635 1.00 0.00 H new ATOM 0 HB2 MET A 4 7.179 34.460 -9.071 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.491 34.854 -8.818 1.00 0.00 H new ATOM 0 HG2 MET A 4 5.545 33.317 -6.752 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.281 33.206 -6.964 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.677 35.865 -4.126 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.655 34.762 -5.078 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.142 34.157 -4.309 1.00 0.00 H new ATOM 55 N GLN A 5 3.542 32.037 -9.573 1.00 0.00 N ATOM 56 CA GLN A 5 2.157 32.111 -10.133 1.00 0.00 C ATOM 57 C GLN A 5 1.142 32.361 -9.007 1.00 0.00 C ATOM 58 O GLN A 5 1.464 32.266 -7.840 1.00 0.00 O ATOM 59 CB GLN A 5 1.923 30.748 -10.791 1.00 0.00 C ATOM 60 CG GLN A 5 0.575 30.749 -11.521 1.00 0.00 C ATOM 61 CD GLN A 5 0.704 29.986 -12.842 1.00 0.00 C ATOM 62 OE1 GLN A 5 1.420 30.405 -13.729 1.00 0.00 O ATOM 63 NE2 GLN A 5 0.037 28.875 -13.016 1.00 0.00 N ATOM 0 H GLN A 5 3.704 31.278 -8.912 1.00 0.00 H new ATOM 0 HA GLN A 5 2.039 32.928 -10.845 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.727 30.530 -11.494 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.938 29.962 -10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.189 30.286 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.254 31.773 -11.711 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.565 28.520 -12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.119 28.363 -13.894 1.00 0.00 H new ATOM 72 N VAL A 6 -0.078 32.686 -9.348 1.00 0.00 N ATOM 73 CA VAL A 6 -1.107 32.944 -8.295 1.00 0.00 C ATOM 74 C VAL A 6 -2.258 31.935 -8.427 1.00 0.00 C ATOM 75 O VAL A 6 -2.667 31.586 -9.516 1.00 0.00 O ATOM 76 CB VAL A 6 -1.593 34.369 -8.558 1.00 0.00 C ATOM 77 CG1 VAL A 6 -2.154 34.472 -9.978 1.00 0.00 C ATOM 78 CG2 VAL A 6 -2.686 34.726 -7.549 1.00 0.00 C ATOM 0 H VAL A 6 -0.407 32.784 -10.309 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.710 32.836 -7.286 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.757 35.061 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.499 35.490 -10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.374 34.219 -10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.989 33.780 -10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.034 35.742 -7.734 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.520 34.032 -7.655 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.284 34.659 -6.538 1.00 0.00 H new ATOM 88 N VAL A 7 -2.757 31.441 -7.323 1.00 0.00 N ATOM 89 CA VAL A 7 -3.856 30.430 -7.381 1.00 0.00 C ATOM 90 C VAL A 7 -4.853 30.763 -8.492 1.00 0.00 C ATOM 91 O VAL A 7 -5.469 31.811 -8.506 1.00 0.00 O ATOM 92 CB VAL A 7 -4.533 30.479 -6.012 1.00 0.00 C ATOM 93 CG1 VAL A 7 -4.785 31.930 -5.613 1.00 0.00 C ATOM 94 CG2 VAL A 7 -5.867 29.733 -6.078 1.00 0.00 C ATOM 0 H VAL A 7 -2.451 31.694 -6.383 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.470 29.435 -7.605 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.885 30.008 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.268 31.960 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.836 32.464 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.431 32.404 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.351 29.767 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.511 30.205 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.690 28.695 -6.359 1.00 0.00 H new ATOM 104 N LEU A 8 -5.009 29.863 -9.419 1.00 0.00 N ATOM 105 CA LEU A 8 -5.957 30.074 -10.548 1.00 0.00 C ATOM 106 C LEU A 8 -7.395 30.064 -10.025 1.00 0.00 C ATOM 107 O LEU A 8 -7.629 29.737 -8.879 1.00 0.00 O ATOM 108 CB LEU A 8 -5.713 28.865 -11.457 1.00 0.00 C ATOM 109 CG LEU A 8 -4.366 28.966 -12.205 1.00 0.00 C ATOM 110 CD1 LEU A 8 -3.466 30.069 -11.620 1.00 0.00 C ATOM 111 CD2 LEU A 8 -3.644 27.623 -12.086 1.00 0.00 C ATOM 0 H LEU A 8 -4.511 28.973 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.811 31.024 -11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.728 27.953 -10.860 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.524 28.786 -12.181 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.570 29.217 -13.246 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.529 30.106 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.972 31.031 -11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.259 29.852 -10.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.689 27.676 -12.609 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.470 27.396 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.258 26.839 -12.530 1.00 0.00 H new ATOM 123 N PRO A 9 -8.321 30.409 -10.883 1.00 0.00 N ATOM 124 CA PRO A 9 -9.746 30.419 -10.479 1.00 0.00 C ATOM 125 C PRO A 9 -10.205 28.997 -10.146 1.00 0.00 C ATOM 126 O PRO A 9 -10.933 28.372 -10.891 1.00 0.00 O ATOM 127 CB PRO A 9 -10.465 30.978 -11.707 1.00 0.00 C ATOM 128 CG PRO A 9 -9.542 30.692 -12.843 1.00 0.00 C ATOM 129 CD PRO A 9 -8.150 30.813 -12.284 1.00 0.00 C ATOM 0 HA PRO A 9 -9.946 31.012 -9.586 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.433 30.499 -11.852 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.650 32.047 -11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.716 29.694 -13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.698 31.397 -13.660 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.447 30.165 -12.808 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.769 31.831 -12.367 1.00 0.00 H new ATOM 137 N ASN A 10 -9.777 28.495 -9.018 1.00 0.00 N ATOM 138 CA ASN A 10 -10.170 27.120 -8.589 1.00 0.00 C ATOM 139 C ASN A 10 -9.630 26.054 -9.550 1.00 0.00 C ATOM 140 O ASN A 10 -10.244 25.027 -9.750 1.00 0.00 O ATOM 141 CB ASN A 10 -11.700 27.126 -8.584 1.00 0.00 C ATOM 142 CG ASN A 10 -12.202 27.377 -7.160 1.00 0.00 C ATOM 143 OD1 ASN A 10 -11.510 27.094 -6.202 1.00 0.00 O ATOM 144 ND2 ASN A 10 -13.382 27.904 -6.981 1.00 0.00 N ATOM 0 H ASN A 10 -9.164 28.986 -8.367 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.757 26.873 -7.611 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.074 27.899 -9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.080 26.173 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.724 28.079 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.962 28.141 -7.786 1.00 0.00 H new ATOM 151 N THR A 11 -8.477 26.268 -10.130 1.00 0.00 N ATOM 152 CA THR A 11 -7.912 25.235 -11.051 1.00 0.00 C ATOM 153 C THR A 11 -6.749 24.518 -10.358 1.00 0.00 C ATOM 154 O THR A 11 -6.288 24.938 -9.315 1.00 0.00 O ATOM 155 CB THR A 11 -7.413 25.985 -12.296 1.00 0.00 C ATOM 156 OG1 THR A 11 -6.060 26.367 -12.104 1.00 0.00 O ATOM 157 CG2 THR A 11 -8.269 27.230 -12.551 1.00 0.00 C ATOM 0 H THR A 11 -7.907 27.105 -10.008 1.00 0.00 H new ATOM 0 HA THR A 11 -8.656 24.486 -11.323 1.00 0.00 H new ATOM 0 HB THR A 11 -7.491 25.326 -13.161 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.475 25.604 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.902 27.749 -13.436 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.306 26.933 -12.709 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.209 27.895 -11.690 1.00 0.00 H new ATOM 165 N ALA A 12 -6.271 23.440 -10.919 1.00 0.00 N ATOM 166 CA ALA A 12 -5.139 22.709 -10.272 1.00 0.00 C ATOM 167 C ALA A 12 -4.260 22.038 -11.330 1.00 0.00 C ATOM 168 O ALA A 12 -4.686 21.800 -12.440 1.00 0.00 O ATOM 169 CB ALA A 12 -5.800 21.660 -9.377 1.00 0.00 C ATOM 0 H ALA A 12 -6.611 23.035 -11.791 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.492 23.378 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.031 21.081 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.430 22.156 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.411 20.994 -9.987 1.00 0.00 H new ATOM 175 N LEU A 13 -3.036 21.734 -10.994 1.00 0.00 N ATOM 176 CA LEU A 13 -2.131 21.083 -11.987 1.00 0.00 C ATOM 177 C LEU A 13 -1.510 19.809 -11.407 1.00 0.00 C ATOM 178 O LEU A 13 -1.422 19.638 -10.206 1.00 0.00 O ATOM 179 CB LEU A 13 -1.048 22.120 -12.301 1.00 0.00 C ATOM 180 CG LEU A 13 -0.532 22.748 -11.007 1.00 0.00 C ATOM 181 CD1 LEU A 13 0.184 21.688 -10.179 1.00 0.00 C ATOM 182 CD2 LEU A 13 0.449 23.873 -11.345 1.00 0.00 C ATOM 0 H LEU A 13 -2.623 21.907 -10.078 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.672 20.782 -12.884 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.226 21.647 -12.838 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.452 22.894 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.370 23.151 -10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.552 22.135 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.510 20.882 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.023 21.287 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.819 24.323 -10.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.287 23.467 -11.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.059 24.632 -11.941 1.00 0.00 H new ATOM 194 N HIS A 14 -1.090 18.910 -12.258 1.00 0.00 N ATOM 195 CA HIS A 14 -0.478 17.636 -11.771 1.00 0.00 C ATOM 196 C HIS A 14 1.050 17.767 -11.688 1.00 0.00 C ATOM 197 O HIS A 14 1.700 18.138 -12.649 1.00 0.00 O ATOM 198 CB HIS A 14 -0.854 16.580 -12.818 1.00 0.00 C ATOM 199 CG HIS A 14 -2.316 16.682 -13.163 1.00 0.00 C ATOM 200 ND1 HIS A 14 -2.915 15.840 -14.088 1.00 0.00 N ATOM 201 CD2 HIS A 14 -3.309 17.518 -12.722 1.00 0.00 C ATOM 202 CE1 HIS A 14 -4.212 16.187 -14.174 1.00 0.00 C ATOM 203 NE2 HIS A 14 -4.505 17.205 -13.361 1.00 0.00 N ATOM 0 H HIS A 14 -1.144 19.002 -13.272 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.834 17.376 -10.774 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.251 16.718 -13.716 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.633 15.584 -12.435 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.182 18.301 -11.989 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.928 15.702 -14.821 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.411 17.656 -13.235 1.00 0.00 H new ATOM 211 N LEU A 15 1.626 17.455 -10.549 1.00 0.00 N ATOM 212 CA LEU A 15 3.112 17.547 -10.398 1.00 0.00 C ATOM 213 C LEU A 15 3.707 16.155 -10.187 1.00 0.00 C ATOM 214 O LEU A 15 3.121 15.318 -9.532 1.00 0.00 O ATOM 215 CB LEU A 15 3.362 18.384 -9.137 1.00 0.00 C ATOM 216 CG LEU A 15 2.590 19.698 -9.200 1.00 0.00 C ATOM 217 CD1 LEU A 15 2.713 20.304 -10.601 1.00 0.00 C ATOM 218 CD2 LEU A 15 1.122 19.432 -8.865 1.00 0.00 C ATOM 0 H LEU A 15 1.128 17.140 -9.717 1.00 0.00 H new ATOM 0 HA LEU A 15 3.567 17.987 -11.285 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.059 17.820 -8.255 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.428 18.587 -9.035 1.00 0.00 H new ATOM 0 HG LEU A 15 3.002 20.403 -8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.160 21.242 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.763 20.492 -10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.304 19.610 -11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.564 20.367 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.706 18.728 -9.586 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.048 19.011 -7.862 1.00 0.00 H new ATOM 230 N LYS A 16 4.876 15.907 -10.709 1.00 0.00 N ATOM 231 CA LYS A 16 5.499 14.574 -10.495 1.00 0.00 C ATOM 232 C LYS A 16 6.666 14.712 -9.521 1.00 0.00 C ATOM 233 O LYS A 16 7.640 15.384 -9.794 1.00 0.00 O ATOM 234 CB LYS A 16 5.996 14.120 -11.866 1.00 0.00 C ATOM 235 CG LYS A 16 6.012 12.589 -11.911 1.00 0.00 C ATOM 236 CD LYS A 16 7.032 12.113 -12.947 1.00 0.00 C ATOM 237 CE LYS A 16 6.680 10.693 -13.393 1.00 0.00 C ATOM 238 NZ LYS A 16 6.229 10.835 -14.805 1.00 0.00 N ATOM 0 H LYS A 16 5.421 16.563 -11.269 1.00 0.00 H new ATOM 0 HA LYS A 16 4.798 13.854 -10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.348 14.513 -12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.996 14.512 -12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.264 12.190 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.021 12.213 -12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.035 12.785 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.035 12.134 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.542 10.030 -13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.895 10.266 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.970 9.901 -15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.403 11.466 -14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.999 11.237 -15.377 1.00 0.00 H new ATOM 252 N ALA A 17 6.574 14.087 -8.383 1.00 0.00 N ATOM 253 CA ALA A 17 7.677 14.192 -7.395 1.00 0.00 C ATOM 254 C ALA A 17 8.820 13.254 -7.783 1.00 0.00 C ATOM 255 O ALA A 17 8.650 12.051 -7.892 1.00 0.00 O ATOM 256 CB ALA A 17 7.059 13.779 -6.059 1.00 0.00 C ATOM 0 H ALA A 17 5.784 13.509 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 17 8.097 15.196 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.816 13.831 -5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.237 14.452 -5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.683 12.759 -6.132 1.00 0.00 H new ATOM 262 N LEU A 18 9.981 13.807 -7.994 1.00 0.00 N ATOM 263 CA LEU A 18 11.157 12.982 -8.380 1.00 0.00 C ATOM 264 C LEU A 18 12.112 12.857 -7.188 1.00 0.00 C ATOM 265 O LEU A 18 12.865 13.763 -6.889 1.00 0.00 O ATOM 266 CB LEU A 18 11.815 13.766 -9.516 1.00 0.00 C ATOM 267 CG LEU A 18 10.888 13.780 -10.733 1.00 0.00 C ATOM 268 CD1 LEU A 18 11.569 14.521 -11.883 1.00 0.00 C ATOM 269 CD2 LEU A 18 10.584 12.342 -11.163 1.00 0.00 C ATOM 0 H LEU A 18 10.166 14.807 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 18 10.887 11.970 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.025 14.786 -9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 18 12.770 13.312 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 18 9.958 14.285 -10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.909 14.531 -12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.785 15.545 -11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.500 14.016 -12.141 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.924 12.353 -12.030 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.514 11.835 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.098 11.812 -10.344 1.00 0.00 H new ATOM 281 N LEU A 19 12.086 11.749 -6.501 1.00 0.00 N ATOM 282 CA LEU A 19 12.987 11.584 -5.327 1.00 0.00 C ATOM 283 C LEU A 19 13.081 10.111 -4.923 1.00 0.00 C ATOM 284 O LEU A 19 12.117 9.375 -4.991 1.00 0.00 O ATOM 285 CB LEU A 19 12.321 12.397 -4.217 1.00 0.00 C ATOM 286 CG LEU A 19 13.371 12.891 -3.220 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.116 11.702 -2.612 1.00 0.00 C ATOM 288 CD2 LEU A 19 14.369 13.804 -3.937 1.00 0.00 C ATOM 0 H LEU A 19 11.481 10.952 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 19 14.004 11.916 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.790 13.246 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.580 11.785 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 19 12.873 13.446 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.861 12.063 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.408 11.055 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.611 11.139 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.117 14.155 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.861 13.249 -4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.841 14.659 -4.360 1.00 0.00 H new ATOM 300 N ASP A 20 14.233 9.682 -4.485 1.00 0.00 N ATOM 301 CA ASP A 20 14.386 8.265 -4.053 1.00 0.00 C ATOM 302 C ASP A 20 13.941 8.134 -2.593 1.00 0.00 C ATOM 303 O ASP A 20 14.645 8.525 -1.683 1.00 0.00 O ATOM 304 CB ASP A 20 15.878 7.962 -4.195 1.00 0.00 C ATOM 305 CG ASP A 20 16.170 7.488 -5.620 1.00 0.00 C ATOM 306 OD1 ASP A 20 16.285 8.334 -6.492 1.00 0.00 O ATOM 307 OD2 ASP A 20 16.271 6.289 -5.816 1.00 0.00 O ATOM 0 H ASP A 20 15.075 10.252 -4.408 1.00 0.00 H new ATOM 0 HA ASP A 20 13.783 7.574 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.464 8.853 -3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.174 7.196 -3.478 1.00 0.00 H new ATOM 312 N PHE A 21 12.773 7.604 -2.365 1.00 0.00 N ATOM 313 CA PHE A 21 12.276 7.469 -0.965 1.00 0.00 C ATOM 314 C PHE A 21 12.126 5.992 -0.588 1.00 0.00 C ATOM 315 O PHE A 21 11.276 5.293 -1.101 1.00 0.00 O ATOM 316 CB PHE A 21 10.913 8.161 -0.975 1.00 0.00 C ATOM 317 CG PHE A 21 10.801 9.082 0.216 1.00 0.00 C ATOM 318 CD1 PHE A 21 11.303 8.684 1.460 1.00 0.00 C ATOM 319 CD2 PHE A 21 10.199 10.338 0.072 1.00 0.00 C ATOM 320 CE1 PHE A 21 11.203 9.543 2.561 1.00 0.00 C ATOM 321 CE2 PHE A 21 10.099 11.197 1.173 1.00 0.00 C ATOM 322 CZ PHE A 21 10.602 10.799 2.418 1.00 0.00 C ATOM 0 H PHE A 21 12.140 7.258 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 21 12.959 7.907 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.789 8.728 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.117 7.417 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.767 7.715 1.571 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.812 10.644 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.590 9.236 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.634 12.166 1.062 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.526 11.461 3.268 1.00 0.00 H new ATOM 332 N GLU A 22 12.948 5.515 0.310 1.00 0.00 N ATOM 333 CA GLU A 22 12.856 4.084 0.727 1.00 0.00 C ATOM 334 C GLU A 22 11.937 3.944 1.945 1.00 0.00 C ATOM 335 O GLU A 22 12.118 4.605 2.948 1.00 0.00 O ATOM 336 CB GLU A 22 14.288 3.689 1.088 1.00 0.00 C ATOM 337 CG GLU A 22 14.501 2.205 0.782 1.00 0.00 C ATOM 338 CD GLU A 22 15.732 1.697 1.535 1.00 0.00 C ATOM 339 OE1 GLU A 22 16.405 2.510 2.145 1.00 0.00 O ATOM 340 OE2 GLU A 22 15.980 0.504 1.488 1.00 0.00 O ATOM 0 H GLU A 22 13.679 6.055 0.773 1.00 0.00 H new ATOM 0 HA GLU A 22 12.441 3.450 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.997 4.293 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.475 3.884 2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.621 1.633 1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.633 2.060 -0.290 1.00 0.00 H new ATOM 347 N ASP A 23 10.951 3.087 1.868 1.00 0.00 N ATOM 348 CA ASP A 23 10.027 2.910 3.025 1.00 0.00 C ATOM 349 C ASP A 23 10.271 1.552 3.691 1.00 0.00 C ATOM 350 O ASP A 23 10.607 0.583 3.039 1.00 0.00 O ATOM 351 CB ASP A 23 8.623 2.970 2.424 1.00 0.00 C ATOM 352 CG ASP A 23 7.623 3.400 3.500 1.00 0.00 C ATOM 353 OD1 ASP A 23 7.983 3.365 4.664 1.00 0.00 O ATOM 354 OD2 ASP A 23 6.513 3.757 3.140 1.00 0.00 O ATOM 0 H ASP A 23 10.747 2.504 1.056 1.00 0.00 H new ATOM 0 HA ASP A 23 10.173 3.671 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.602 3.674 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.346 1.995 2.024 1.00 0.00 H new ATOM 359 N LYS A 24 10.105 1.475 4.983 1.00 0.00 N ATOM 360 CA LYS A 24 10.330 0.180 5.689 1.00 0.00 C ATOM 361 C LYS A 24 9.110 -0.734 5.532 1.00 0.00 C ATOM 362 O LYS A 24 9.058 -1.815 6.084 1.00 0.00 O ATOM 363 CB LYS A 24 10.533 0.560 7.156 1.00 0.00 C ATOM 364 CG LYS A 24 9.205 1.031 7.752 1.00 0.00 C ATOM 365 CD LYS A 24 8.731 0.028 8.806 1.00 0.00 C ATOM 366 CE LYS A 24 7.693 0.691 9.715 1.00 0.00 C ATOM 367 NZ LYS A 24 8.409 1.835 10.343 1.00 0.00 N ATOM 0 H LYS A 24 9.823 2.252 5.581 1.00 0.00 H new ATOM 0 HA LYS A 24 11.184 -0.365 5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.911 -0.296 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.280 1.349 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.326 2.017 8.202 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.456 1.129 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.299 -0.847 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.578 -0.321 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.828 1.031 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.325 -0.006 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.081 1.954 11.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.432 1.648 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.215 2.704 9.805 1.00 0.00 H new ATOM 381 N ASP A 25 8.128 -0.308 4.784 1.00 0.00 N ATOM 382 CA ASP A 25 6.913 -1.154 4.596 1.00 0.00 C ATOM 383 C ASP A 25 6.993 -1.914 3.268 1.00 0.00 C ATOM 384 O ASP A 25 6.088 -2.639 2.904 1.00 0.00 O ATOM 385 CB ASP A 25 5.744 -0.171 4.577 1.00 0.00 C ATOM 386 CG ASP A 25 4.847 -0.421 5.790 1.00 0.00 C ATOM 387 OD1 ASP A 25 5.281 -0.134 6.893 1.00 0.00 O ATOM 388 OD2 ASP A 25 3.740 -0.897 5.596 1.00 0.00 O ATOM 0 H ASP A 25 8.114 0.587 4.296 1.00 0.00 H new ATOM 0 HA ASP A 25 6.807 -1.901 5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.116 0.853 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.171 -0.289 3.657 1.00 0.00 H new ATOM 393 N GLY A 26 8.065 -1.753 2.544 1.00 0.00 N ATOM 394 CA GLY A 26 8.196 -2.464 1.241 1.00 0.00 C ATOM 395 C GLY A 26 7.651 -1.579 0.119 1.00 0.00 C ATOM 396 O GLY A 26 7.935 -1.787 -1.044 1.00 0.00 O ATOM 0 H GLY A 26 8.856 -1.161 2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.241 -2.707 1.051 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.650 -3.407 1.273 1.00 0.00 H new ATOM 400 N ASP A 27 6.874 -0.588 0.461 1.00 0.00 N ATOM 401 CA ASP A 27 6.314 0.317 -0.585 1.00 0.00 C ATOM 402 C ASP A 27 7.119 1.616 -0.628 1.00 0.00 C ATOM 403 O ASP A 27 6.823 2.566 0.068 1.00 0.00 O ATOM 404 CB ASP A 27 4.874 0.593 -0.147 1.00 0.00 C ATOM 405 CG ASP A 27 4.134 -0.730 0.056 1.00 0.00 C ATOM 406 OD1 ASP A 27 4.528 -1.708 -0.556 1.00 0.00 O ATOM 407 OD2 ASP A 27 3.184 -0.742 0.823 1.00 0.00 O ATOM 0 H ASP A 27 6.602 -0.365 1.419 1.00 0.00 H new ATOM 0 HA ASP A 27 6.355 -0.123 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.869 1.169 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.364 1.194 -0.899 1.00 0.00 H new ATOM 412 N LYS A 28 8.142 1.662 -1.436 1.00 0.00 N ATOM 413 CA LYS A 28 8.971 2.896 -1.515 1.00 0.00 C ATOM 414 C LYS A 28 8.710 3.633 -2.832 1.00 0.00 C ATOM 415 O LYS A 28 8.159 3.083 -3.764 1.00 0.00 O ATOM 416 CB LYS A 28 10.416 2.398 -1.452 1.00 0.00 C ATOM 417 CG LYS A 28 10.829 1.825 -2.810 1.00 0.00 C ATOM 418 CD LYS A 28 12.037 0.901 -2.629 1.00 0.00 C ATOM 419 CE LYS A 28 11.633 -0.540 -2.955 1.00 0.00 C ATOM 420 NZ LYS A 28 12.542 -1.390 -2.136 1.00 0.00 N ATOM 0 H LYS A 28 8.439 0.899 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 28 8.744 3.600 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.080 3.217 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.513 1.634 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.999 1.274 -3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.076 2.634 -3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.851 1.218 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.406 0.964 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.588 -0.723 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.747 -0.751 -4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.326 -2.393 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.529 -1.199 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.406 -1.172 -1.128 1.00 0.00 H new ATOM 434 N VAL A 29 9.114 4.872 -2.920 1.00 0.00 N ATOM 435 CA VAL A 29 8.898 5.635 -4.184 1.00 0.00 C ATOM 436 C VAL A 29 10.255 5.877 -4.861 1.00 0.00 C ATOM 437 O VAL A 29 11.250 6.114 -4.204 1.00 0.00 O ATOM 438 CB VAL A 29 8.209 6.961 -3.775 1.00 0.00 C ATOM 439 CG1 VAL A 29 7.394 6.765 -2.491 1.00 0.00 C ATOM 440 CG2 VAL A 29 9.247 8.062 -3.536 1.00 0.00 C ATOM 0 H VAL A 29 9.582 5.387 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 29 8.275 5.099 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 29 7.549 7.257 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.916 7.705 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.631 6.005 -2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.055 6.445 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.740 8.984 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.924 7.757 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.817 8.230 -4.450 1.00 0.00 H new ATOM 450 N VAL A 30 10.311 5.803 -6.162 1.00 0.00 N ATOM 451 CA VAL A 30 11.616 6.015 -6.855 1.00 0.00 C ATOM 452 C VAL A 30 11.459 7.002 -8.012 1.00 0.00 C ATOM 453 O VAL A 30 11.186 6.620 -9.132 1.00 0.00 O ATOM 454 CB VAL A 30 12.014 4.636 -7.380 1.00 0.00 C ATOM 455 CG1 VAL A 30 12.315 3.707 -6.202 1.00 0.00 C ATOM 456 CG2 VAL A 30 10.865 4.054 -8.207 1.00 0.00 C ATOM 0 H VAL A 30 9.518 5.607 -6.772 1.00 0.00 H new ATOM 0 HA VAL A 30 12.369 6.434 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 30 12.902 4.729 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.599 2.724 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.133 4.120 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.428 3.614 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.148 3.070 -8.582 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.977 3.962 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.651 4.714 -9.047 1.00 0.00 H new ATOM 466 N ALA A 31 11.642 8.269 -7.749 1.00 0.00 N ATOM 467 CA ALA A 31 11.515 9.286 -8.836 1.00 0.00 C ATOM 468 C ALA A 31 10.342 8.949 -9.759 1.00 0.00 C ATOM 469 O ALA A 31 10.510 8.773 -10.950 1.00 0.00 O ATOM 470 CB ALA A 31 12.837 9.211 -9.604 1.00 0.00 C ATOM 0 H ALA A 31 11.874 8.644 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 31 11.324 10.283 -8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 31 12.824 9.931 -10.423 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.662 9.442 -8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.968 8.206 -10.006 1.00 0.00 H new ATOM 476 N GLY A 32 9.153 8.855 -9.226 1.00 0.00 N ATOM 477 CA GLY A 32 7.983 8.528 -10.090 1.00 0.00 C ATOM 478 C GLY A 32 6.681 8.859 -9.357 1.00 0.00 C ATOM 479 O GLY A 32 5.655 8.257 -9.602 1.00 0.00 O ATOM 0 H GLY A 32 8.943 8.989 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.039 9.092 -11.021 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.001 7.471 -10.356 1.00 0.00 H new ATOM 483 N ASP A 33 6.707 9.811 -8.464 1.00 0.00 N ATOM 484 CA ASP A 33 5.457 10.166 -7.730 1.00 0.00 C ATOM 485 C ASP A 33 4.717 11.290 -8.464 1.00 0.00 C ATOM 486 O ASP A 33 5.323 12.130 -9.093 1.00 0.00 O ATOM 487 CB ASP A 33 5.933 10.641 -6.357 1.00 0.00 C ATOM 488 CG ASP A 33 6.762 9.537 -5.697 1.00 0.00 C ATOM 489 OD1 ASP A 33 7.042 8.555 -6.364 1.00 0.00 O ATOM 490 OD2 ASP A 33 7.103 9.693 -4.537 1.00 0.00 O ATOM 0 H ASP A 33 7.532 10.355 -8.212 1.00 0.00 H new ATOM 0 HA ASP A 33 4.764 9.328 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.530 11.547 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.077 10.893 -5.730 1.00 0.00 H new ATOM 495 N GLU A 34 3.413 11.313 -8.393 1.00 0.00 N ATOM 496 CA GLU A 34 2.650 12.390 -9.092 1.00 0.00 C ATOM 497 C GLU A 34 1.377 12.741 -8.314 1.00 0.00 C ATOM 498 O GLU A 34 0.617 11.876 -7.925 1.00 0.00 O ATOM 499 CB GLU A 34 2.299 11.802 -10.461 1.00 0.00 C ATOM 500 CG GLU A 34 1.168 12.617 -11.096 1.00 0.00 C ATOM 501 CD GLU A 34 1.275 12.546 -12.619 1.00 0.00 C ATOM 502 OE1 GLU A 34 1.949 13.390 -13.185 1.00 0.00 O ATOM 503 OE2 GLU A 34 0.676 11.651 -13.194 1.00 0.00 O ATOM 0 H GLU A 34 2.844 10.636 -7.884 1.00 0.00 H new ATOM 0 HA GLU A 34 3.227 13.311 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.176 11.813 -11.108 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.995 10.761 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.202 12.231 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.224 13.654 -10.766 1.00 0.00 H new ATOM 510 N TRP A 35 1.132 14.007 -8.094 1.00 0.00 N ATOM 511 CA TRP A 35 -0.098 14.412 -7.352 1.00 0.00 C ATOM 512 C TRP A 35 -0.706 15.673 -7.978 1.00 0.00 C ATOM 513 O TRP A 35 -0.137 16.273 -8.865 1.00 0.00 O ATOM 514 CB TRP A 35 0.360 14.671 -5.912 1.00 0.00 C ATOM 515 CG TRP A 35 1.037 16.000 -5.816 1.00 0.00 C ATOM 516 CD1 TRP A 35 0.450 17.140 -5.384 1.00 0.00 C ATOM 517 CD2 TRP A 35 2.414 16.345 -6.141 1.00 0.00 C ATOM 518 NE1 TRP A 35 1.380 18.163 -5.424 1.00 0.00 N ATOM 519 CE2 TRP A 35 2.606 17.723 -5.883 1.00 0.00 C ATOM 520 CE3 TRP A 35 3.504 15.604 -6.629 1.00 0.00 C ATOM 521 CZ2 TRP A 35 3.837 18.343 -6.103 1.00 0.00 C ATOM 522 CZ3 TRP A 35 4.745 16.225 -6.851 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.910 17.590 -6.588 1.00 0.00 C ATOM 0 H TRP A 35 1.730 14.776 -8.396 1.00 0.00 H new ATOM 0 HA TRP A 35 -0.872 13.645 -7.388 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -0.497 14.642 -5.239 1.00 0.00 H new ATOM 0 HB3 TRP A 35 1.042 13.883 -5.593 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.576 17.235 -5.061 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.184 19.125 -5.148 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.387 14.550 -6.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.959 19.397 -5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.576 15.646 -7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.866 18.061 -6.760 1.00 0.00 H new ATOM 534 N LEU A 36 -1.865 16.070 -7.528 1.00 0.00 N ATOM 535 CA LEU A 36 -2.514 17.283 -8.104 1.00 0.00 C ATOM 536 C LEU A 36 -2.423 18.456 -7.124 1.00 0.00 C ATOM 537 O LEU A 36 -2.279 18.269 -5.933 1.00 0.00 O ATOM 538 CB LEU A 36 -3.970 16.874 -8.319 1.00 0.00 C ATOM 539 CG LEU A 36 -4.814 18.110 -8.629 1.00 0.00 C ATOM 540 CD1 LEU A 36 -4.546 18.565 -10.064 1.00 0.00 C ATOM 541 CD2 LEU A 36 -6.297 17.766 -8.474 1.00 0.00 C ATOM 0 H LEU A 36 -2.391 15.607 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.036 17.611 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.039 16.160 -9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.353 16.375 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.551 18.911 -7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.148 19.446 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.490 18.809 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.809 17.764 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.900 18.647 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.559 16.965 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.490 17.441 -7.452 1.00 0.00 H new ATOM 553 N PHE A 37 -2.507 19.664 -7.615 1.00 0.00 N ATOM 554 CA PHE A 37 -2.426 20.840 -6.700 1.00 0.00 C ATOM 555 C PHE A 37 -3.375 21.956 -7.157 1.00 0.00 C ATOM 556 O PHE A 37 -3.208 22.537 -8.211 1.00 0.00 O ATOM 557 CB PHE A 37 -0.974 21.313 -6.779 1.00 0.00 C ATOM 558 CG PHE A 37 -0.651 22.158 -5.567 1.00 0.00 C ATOM 559 CD1 PHE A 37 -1.414 23.298 -5.281 1.00 0.00 C ATOM 560 CD2 PHE A 37 0.412 21.803 -4.729 1.00 0.00 C ATOM 561 CE1 PHE A 37 -1.114 24.078 -4.159 1.00 0.00 C ATOM 562 CE2 PHE A 37 0.713 22.584 -3.607 1.00 0.00 C ATOM 563 CZ PHE A 37 -0.050 23.722 -3.321 1.00 0.00 C ATOM 0 H PHE A 37 -2.627 19.887 -8.603 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.718 20.578 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.303 20.455 -6.826 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.818 21.891 -7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.234 23.575 -5.927 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.001 20.925 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.704 24.956 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.534 22.308 -2.962 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.182 24.325 -2.455 1.00 0.00 H new ATOM 573 N GLU A 38 -4.361 22.264 -6.355 1.00 0.00 N ATOM 574 CA GLU A 38 -5.320 23.350 -6.713 1.00 0.00 C ATOM 575 C GLU A 38 -4.735 24.703 -6.287 1.00 0.00 C ATOM 576 O GLU A 38 -4.105 24.811 -5.254 1.00 0.00 O ATOM 577 CB GLU A 38 -6.578 23.024 -5.904 1.00 0.00 C ATOM 578 CG GLU A 38 -7.796 23.675 -6.554 1.00 0.00 C ATOM 579 CD GLU A 38 -7.624 25.195 -6.555 1.00 0.00 C ATOM 580 OE1 GLU A 38 -7.328 25.740 -5.504 1.00 0.00 O ATOM 581 OE2 GLU A 38 -7.792 25.788 -7.607 1.00 0.00 O ATOM 0 H GLU A 38 -4.544 21.807 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.526 23.410 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.717 21.944 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.466 23.382 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.914 23.311 -7.575 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.701 23.401 -6.011 1.00 0.00 H new ATOM 588 N GLY A 39 -4.917 25.737 -7.069 1.00 0.00 N ATOM 589 CA GLY A 39 -4.339 27.057 -6.678 1.00 0.00 C ATOM 590 C GLY A 39 -2.813 26.930 -6.649 1.00 0.00 C ATOM 591 O GLY A 39 -2.173 27.320 -5.691 1.00 0.00 O ATOM 0 H GLY A 39 -5.433 25.725 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.642 27.828 -7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.713 27.359 -5.700 1.00 0.00 H new ATOM 595 N PRO A 40 -2.287 26.353 -7.699 1.00 0.00 N ATOM 596 CA PRO A 40 -0.818 26.119 -7.812 1.00 0.00 C ATOM 597 C PRO A 40 -0.036 27.430 -7.978 1.00 0.00 C ATOM 598 O PRO A 40 1.156 27.418 -8.215 1.00 0.00 O ATOM 599 CB PRO A 40 -0.695 25.261 -9.071 1.00 0.00 C ATOM 600 CG PRO A 40 -1.915 25.588 -9.871 1.00 0.00 C ATOM 601 CD PRO A 40 -3.008 25.876 -8.883 1.00 0.00 C ATOM 0 HA PRO A 40 -0.406 25.650 -6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.215 25.495 -9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.655 24.200 -8.825 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.737 26.449 -10.515 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.188 24.756 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.701 26.628 -9.260 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.594 24.984 -8.663 1.00 0.00 H new ATOM 609 N GLY A 41 -0.676 28.556 -7.863 1.00 0.00 N ATOM 610 CA GLY A 41 0.066 29.834 -8.019 1.00 0.00 C ATOM 611 C GLY A 41 1.319 29.808 -7.145 1.00 0.00 C ATOM 612 O GLY A 41 2.424 29.986 -7.619 1.00 0.00 O ATOM 0 H GLY A 41 -1.673 28.648 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.342 29.981 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.570 30.673 -7.736 1.00 0.00 H new ATOM 616 N THR A 42 1.151 29.602 -5.870 1.00 0.00 N ATOM 617 CA THR A 42 2.328 29.580 -4.956 1.00 0.00 C ATOM 618 C THR A 42 3.157 28.308 -5.167 1.00 0.00 C ATOM 619 O THR A 42 4.206 28.140 -4.577 1.00 0.00 O ATOM 620 CB THR A 42 1.730 29.614 -3.551 1.00 0.00 C ATOM 621 OG1 THR A 42 0.988 28.423 -3.322 1.00 0.00 O ATOM 622 CG2 THR A 42 0.805 30.827 -3.426 1.00 0.00 C ATOM 0 H THR A 42 0.249 29.448 -5.420 1.00 0.00 H new ATOM 0 HA THR A 42 3.004 30.416 -5.134 1.00 0.00 H new ATOM 0 HB THR A 42 2.530 29.687 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.606 28.444 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.376 30.855 -2.425 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.375 31.739 -3.602 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.004 30.751 -4.162 1.00 0.00 H new ATOM 630 N TYR A 43 2.704 27.413 -6.004 1.00 0.00 N ATOM 631 CA TYR A 43 3.488 26.165 -6.243 1.00 0.00 C ATOM 632 C TYR A 43 4.589 26.435 -7.276 1.00 0.00 C ATOM 633 O TYR A 43 4.319 26.656 -8.441 1.00 0.00 O ATOM 634 CB TYR A 43 2.473 25.137 -6.772 1.00 0.00 C ATOM 635 CG TYR A 43 3.178 24.115 -7.638 1.00 0.00 C ATOM 636 CD1 TYR A 43 3.874 23.055 -7.047 1.00 0.00 C ATOM 637 CD2 TYR A 43 3.138 24.238 -9.032 1.00 0.00 C ATOM 638 CE1 TYR A 43 4.531 22.115 -7.853 1.00 0.00 C ATOM 639 CE2 TYR A 43 3.794 23.301 -9.837 1.00 0.00 C ATOM 640 CZ TYR A 43 4.491 22.239 -9.247 1.00 0.00 C ATOM 641 OH TYR A 43 5.139 21.314 -10.041 1.00 0.00 O ATOM 0 H TYR A 43 1.833 27.490 -6.529 1.00 0.00 H new ATOM 0 HA TYR A 43 3.980 25.803 -5.340 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.978 24.640 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.698 25.642 -7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.905 22.961 -5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.600 25.057 -9.486 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.068 21.295 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.763 23.396 -10.912 1.00 0.00 H new ATOM 0 HH TYR A 43 5.366 20.525 -9.505 1.00 0.00 H new ATOM 651 N ILE A 44 5.824 26.411 -6.861 1.00 0.00 N ATOM 652 CA ILE A 44 6.935 26.657 -7.821 1.00 0.00 C ATOM 653 C ILE A 44 7.595 25.328 -8.202 1.00 0.00 C ATOM 654 O ILE A 44 7.695 24.429 -7.391 1.00 0.00 O ATOM 655 CB ILE A 44 7.914 27.561 -7.073 1.00 0.00 C ATOM 656 CG1 ILE A 44 7.184 28.822 -6.592 1.00 0.00 C ATOM 657 CG2 ILE A 44 9.055 27.962 -8.008 1.00 0.00 C ATOM 658 CD1 ILE A 44 6.317 29.378 -7.725 1.00 0.00 C ATOM 0 H ILE A 44 6.112 26.232 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 44 6.595 27.119 -8.748 1.00 0.00 H new ATOM 0 HB ILE A 44 8.317 27.024 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.563 28.587 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.906 29.573 -6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.753 28.607 -7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.576 27.068 -8.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.650 28.498 -8.867 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.799 30.274 -7.381 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.949 29.629 -8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.585 28.628 -8.024 1.00 0.00 H new ATOM 670 N PRO A 45 8.011 25.248 -9.435 1.00 0.00 N ATOM 671 CA PRO A 45 8.659 24.013 -9.949 1.00 0.00 C ATOM 672 C PRO A 45 10.023 23.781 -9.293 1.00 0.00 C ATOM 673 O PRO A 45 11.028 24.315 -9.718 1.00 0.00 O ATOM 674 CB PRO A 45 8.809 24.287 -11.444 1.00 0.00 C ATOM 675 CG PRO A 45 8.818 25.778 -11.558 1.00 0.00 C ATOM 676 CD PRO A 45 7.925 26.291 -10.463 1.00 0.00 C ATOM 0 HA PRO A 45 8.080 23.114 -9.735 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.730 23.854 -11.835 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.986 23.852 -12.011 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.829 26.170 -11.450 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.456 26.095 -12.536 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.266 27.255 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.901 26.428 -10.811 1.00 0.00 H new ATOM 684 N ARG A 46 10.065 22.971 -8.270 1.00 0.00 N ATOM 685 CA ARG A 46 11.362 22.683 -7.596 1.00 0.00 C ATOM 686 C ARG A 46 11.961 21.397 -8.170 1.00 0.00 C ATOM 687 O ARG A 46 11.249 20.495 -8.564 1.00 0.00 O ATOM 688 CB ARG A 46 11.018 22.503 -6.118 1.00 0.00 C ATOM 689 CG ARG A 46 11.717 23.588 -5.298 1.00 0.00 C ATOM 690 CD ARG A 46 10.702 24.665 -4.907 1.00 0.00 C ATOM 691 NE ARG A 46 10.344 24.361 -3.495 1.00 0.00 N ATOM 692 CZ ARG A 46 9.566 25.170 -2.830 1.00 0.00 C ATOM 693 NH1 ARG A 46 9.765 26.458 -2.883 1.00 0.00 N ATOM 694 NH2 ARG A 46 8.587 24.690 -2.111 1.00 0.00 N ATOM 0 H ARG A 46 9.255 22.496 -7.872 1.00 0.00 H new ATOM 0 HA ARG A 46 12.094 23.478 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.939 22.562 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.331 21.516 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.164 23.152 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.528 24.030 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.130 25.663 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.824 24.633 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 46 10.707 23.520 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 46 10.529 26.833 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.156 27.090 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.431 23.683 -2.070 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.979 25.322 -1.591 1.00 0.00 H new ATOM 708 N LYS A 47 13.258 21.306 -8.229 1.00 0.00 N ATOM 709 CA LYS A 47 13.890 20.077 -8.789 1.00 0.00 C ATOM 710 C LYS A 47 13.308 18.824 -8.124 1.00 0.00 C ATOM 711 O LYS A 47 13.220 17.774 -8.729 1.00 0.00 O ATOM 712 CB LYS A 47 15.381 20.218 -8.474 1.00 0.00 C ATOM 713 CG LYS A 47 15.633 19.925 -6.992 1.00 0.00 C ATOM 714 CD LYS A 47 17.140 19.835 -6.739 1.00 0.00 C ATOM 715 CE LYS A 47 17.518 20.743 -5.566 1.00 0.00 C ATOM 716 NZ LYS A 47 17.585 22.112 -6.148 1.00 0.00 N ATOM 0 H LYS A 47 13.909 22.026 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 47 13.710 19.973 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.958 19.531 -9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.719 21.226 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.196 20.711 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.149 18.991 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.422 18.805 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.688 20.132 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.776 20.688 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.474 20.451 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.856 22.791 -5.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.292 22.131 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.654 22.372 -6.532 1.00 0.00 H new ATOM 730 N GLU A 48 12.911 18.924 -6.887 1.00 0.00 N ATOM 731 CA GLU A 48 12.340 17.736 -6.186 1.00 0.00 C ATOM 732 C GLU A 48 11.210 17.111 -7.013 1.00 0.00 C ATOM 733 O GLU A 48 10.923 15.939 -6.895 1.00 0.00 O ATOM 734 CB GLU A 48 11.797 18.280 -4.865 1.00 0.00 C ATOM 735 CG GLU A 48 12.021 17.248 -3.759 1.00 0.00 C ATOM 736 CD GLU A 48 12.903 17.856 -2.668 1.00 0.00 C ATOM 737 OE1 GLU A 48 14.112 17.839 -2.832 1.00 0.00 O ATOM 738 OE2 GLU A 48 12.354 18.328 -1.685 1.00 0.00 O ATOM 0 H GLU A 48 12.956 19.777 -6.329 1.00 0.00 H new ATOM 0 HA GLU A 48 13.085 16.955 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.297 19.215 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.734 18.502 -4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.065 16.937 -3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.494 16.356 -4.169 1.00 0.00 H new ATOM 745 N VAL A 49 10.570 17.885 -7.847 1.00 0.00 N ATOM 746 CA VAL A 49 9.459 17.344 -8.683 1.00 0.00 C ATOM 747 C VAL A 49 9.399 18.104 -10.014 1.00 0.00 C ATOM 748 O VAL A 49 10.102 19.075 -10.215 1.00 0.00 O ATOM 749 CB VAL A 49 8.177 17.564 -7.861 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.459 17.313 -6.377 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.680 19.002 -8.040 1.00 0.00 C ATOM 0 H VAL A 49 10.770 18.875 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 49 9.593 16.289 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 49 7.414 16.869 -8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.547 17.471 -5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.802 16.287 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.230 18.002 -6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.772 19.149 -7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.447 19.697 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.466 19.185 -9.093 1.00 0.00 H new ATOM 761 N GLU A 50 8.570 17.673 -10.925 1.00 0.00 N ATOM 762 CA GLU A 50 8.480 18.379 -12.236 1.00 0.00 C ATOM 763 C GLU A 50 7.017 18.627 -12.615 1.00 0.00 C ATOM 764 O GLU A 50 6.184 17.748 -12.514 1.00 0.00 O ATOM 765 CB GLU A 50 9.135 17.429 -13.239 1.00 0.00 C ATOM 766 CG GLU A 50 10.450 18.035 -13.733 1.00 0.00 C ATOM 767 CD GLU A 50 11.457 18.073 -12.583 1.00 0.00 C ATOM 768 OE1 GLU A 50 11.299 17.295 -11.657 1.00 0.00 O ATOM 769 OE2 GLU A 50 12.369 18.881 -12.646 1.00 0.00 O ATOM 0 H GLU A 50 7.954 16.867 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 50 8.967 19.354 -12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.321 16.462 -12.772 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.465 17.253 -14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.847 17.445 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.279 19.042 -14.114 1.00 0.00 H new ATOM 776 N VAL A 51 6.702 19.811 -13.066 1.00 0.00 N ATOM 777 CA VAL A 51 5.294 20.102 -13.467 1.00 0.00 C ATOM 778 C VAL A 51 4.843 19.068 -14.497 1.00 0.00 C ATOM 779 O VAL A 51 5.531 18.806 -15.463 1.00 0.00 O ATOM 780 CB VAL A 51 5.330 21.500 -14.089 1.00 0.00 C ATOM 781 CG1 VAL A 51 3.902 22.026 -14.241 1.00 0.00 C ATOM 782 CG2 VAL A 51 6.125 22.445 -13.184 1.00 0.00 C ATOM 0 H VAL A 51 7.355 20.587 -13.174 1.00 0.00 H new ATOM 0 HA VAL A 51 4.600 20.059 -12.628 1.00 0.00 H new ATOM 0 HB VAL A 51 5.807 21.448 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.926 23.022 -14.684 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.334 21.356 -14.886 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.427 22.076 -13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.149 23.440 -13.629 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.649 22.497 -12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.143 22.072 -13.073 1.00 0.00 H new ATOM 792 N VAL A 52 3.700 18.473 -14.304 1.00 0.00 N ATOM 793 CA VAL A 52 3.237 17.456 -15.291 1.00 0.00 C ATOM 794 C VAL A 52 2.137 18.034 -16.171 1.00 0.00 C ATOM 795 O VAL A 52 2.279 18.142 -17.372 1.00 0.00 O ATOM 796 CB VAL A 52 2.687 16.296 -14.465 1.00 0.00 C ATOM 797 CG1 VAL A 52 2.522 15.066 -15.359 1.00 0.00 C ATOM 798 CG2 VAL A 52 3.654 15.970 -13.332 1.00 0.00 C ATOM 0 H VAL A 52 3.073 18.642 -13.518 1.00 0.00 H new ATOM 0 HA VAL A 52 4.048 17.139 -15.947 1.00 0.00 H new ATOM 0 HB VAL A 52 1.720 16.577 -14.048 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.129 14.238 -14.769 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.830 15.295 -16.169 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.489 14.787 -15.777 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.259 15.142 -12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.622 15.690 -13.749 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.773 16.845 -12.693 1.00 0.00 H new ATOM 808 N GLU A 53 1.035 18.402 -15.583 1.00 0.00 N ATOM 809 CA GLU A 53 -0.075 18.966 -16.405 1.00 0.00 C ATOM 810 C GLU A 53 -0.836 20.032 -15.619 1.00 0.00 C ATOM 811 O GLU A 53 -0.611 20.241 -14.444 1.00 0.00 O ATOM 812 CB GLU A 53 -1.023 17.796 -16.731 1.00 0.00 C ATOM 813 CG GLU A 53 -0.300 16.442 -16.654 1.00 0.00 C ATOM 814 CD GLU A 53 0.597 16.267 -17.881 1.00 0.00 C ATOM 815 OE1 GLU A 53 0.359 16.944 -18.867 1.00 0.00 O ATOM 816 OE2 GLU A 53 1.507 15.457 -17.813 1.00 0.00 O ATOM 0 H GLU A 53 0.853 18.339 -14.581 1.00 0.00 H new ATOM 0 HA GLU A 53 0.316 19.432 -17.310 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.861 17.801 -16.034 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.438 17.931 -17.730 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.298 16.389 -15.744 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.028 15.632 -16.605 1.00 0.00 H new ATOM 823 N ILE A 54 -1.751 20.694 -16.265 1.00 0.00 N ATOM 824 CA ILE A 54 -2.558 21.736 -15.573 1.00 0.00 C ATOM 825 C ILE A 54 -4.030 21.525 -15.938 1.00 0.00 C ATOM 826 O ILE A 54 -4.345 21.099 -17.032 1.00 0.00 O ATOM 827 CB ILE A 54 -2.049 23.094 -16.084 1.00 0.00 C ATOM 828 CG1 ILE A 54 -0.588 22.986 -16.548 1.00 0.00 C ATOM 829 CG2 ILE A 54 -2.134 24.118 -14.950 1.00 0.00 C ATOM 830 CD1 ILE A 54 0.302 22.583 -15.367 1.00 0.00 C ATOM 0 H ILE A 54 -1.977 20.558 -17.250 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.466 21.688 -14.488 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.666 23.405 -16.927 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.504 22.249 -17.347 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.255 23.940 -16.958 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.775 25.084 -15.304 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.169 24.214 -14.623 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.519 23.787 -14.114 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.337 22.508 -15.700 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.228 23.336 -14.582 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.025 21.619 -14.977 1.00 0.00 H new ATOM 842 N ILE A 55 -4.934 21.793 -15.038 1.00 0.00 N ATOM 843 CA ILE A 55 -6.374 21.571 -15.359 1.00 0.00 C ATOM 844 C ILE A 55 -7.233 22.743 -14.864 1.00 0.00 C ATOM 845 O ILE A 55 -7.035 23.262 -13.780 1.00 0.00 O ATOM 846 CB ILE A 55 -6.732 20.256 -14.641 1.00 0.00 C ATOM 847 CG1 ILE A 55 -7.667 19.431 -15.529 1.00 0.00 C ATOM 848 CG2 ILE A 55 -7.419 20.532 -13.297 1.00 0.00 C ATOM 849 CD1 ILE A 55 -9.034 20.111 -15.613 1.00 0.00 C ATOM 0 H ILE A 55 -4.743 22.153 -14.103 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.559 21.508 -16.431 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.811 19.705 -14.451 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.240 19.328 -16.526 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.775 18.425 -15.123 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.661 19.587 -12.811 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.750 21.108 -12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.335 21.098 -13.466 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.696 19.520 -16.246 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.463 20.191 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.919 21.108 -16.039 1.00 0.00 H new ATOM 861 N GLN A 56 -8.191 23.152 -15.654 1.00 0.00 N ATOM 862 CA GLN A 56 -9.075 24.280 -15.244 1.00 0.00 C ATOM 863 C GLN A 56 -10.275 23.744 -14.458 1.00 0.00 C ATOM 864 O GLN A 56 -10.619 22.581 -14.545 1.00 0.00 O ATOM 865 CB GLN A 56 -9.538 24.920 -16.554 1.00 0.00 C ATOM 866 CG GLN A 56 -8.596 26.066 -16.927 1.00 0.00 C ATOM 867 CD GLN A 56 -7.191 25.513 -17.170 1.00 0.00 C ATOM 868 OE1 GLN A 56 -6.263 25.845 -16.459 1.00 0.00 O ATOM 869 NE2 GLN A 56 -6.990 24.678 -18.153 1.00 0.00 N ATOM 0 H GLN A 56 -8.399 22.751 -16.569 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.562 24.996 -14.601 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.553 24.175 -17.349 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.557 25.293 -16.448 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.959 26.572 -17.821 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.573 26.807 -16.128 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.767 24.398 -18.751 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.056 24.306 -18.323 1.00 0.00 H new ATOM 878 N ALA A 57 -10.914 24.584 -13.691 1.00 0.00 N ATOM 879 CA ALA A 57 -12.091 24.125 -12.897 1.00 0.00 C ATOM 880 C ALA A 57 -13.388 24.410 -13.660 1.00 0.00 C ATOM 881 O ALA A 57 -13.549 25.460 -14.247 1.00 0.00 O ATOM 882 CB ALA A 57 -12.035 24.951 -11.612 1.00 0.00 C ATOM 0 H ALA A 57 -10.673 25.569 -13.579 1.00 0.00 H new ATOM 0 HA ALA A 57 -12.069 23.053 -12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.869 24.676 -10.966 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.096 24.756 -11.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.100 26.011 -11.858 1.00 0.00 H new ATOM 888 N THR A 58 -14.320 23.489 -13.657 1.00 0.00 N ATOM 889 CA THR A 58 -15.596 23.740 -14.389 1.00 0.00 C ATOM 890 C THR A 58 -16.550 22.539 -14.306 1.00 0.00 C ATOM 891 O THR A 58 -16.957 22.001 -15.315 1.00 0.00 O ATOM 892 CB THR A 58 -15.175 23.972 -15.842 1.00 0.00 C ATOM 893 OG1 THR A 58 -16.328 23.961 -16.673 1.00 0.00 O ATOM 894 CG2 THR A 58 -14.217 22.863 -16.281 1.00 0.00 C ATOM 0 H THR A 58 -14.253 22.587 -13.186 1.00 0.00 H new ATOM 0 HA THR A 58 -16.135 24.585 -13.961 1.00 0.00 H new ATOM 0 HB THR A 58 -14.673 24.936 -15.927 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.689 23.051 -16.720 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.918 23.029 -17.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.334 22.871 -15.642 1.00 0.00 H new ATOM 0 HG23 THR A 58 -14.716 21.897 -16.198 1.00 0.00 H new ATOM 902 N ILE A 59 -16.933 22.121 -13.128 1.00 0.00 N ATOM 903 CA ILE A 59 -17.883 20.969 -13.043 1.00 0.00 C ATOM 904 C ILE A 59 -18.481 20.844 -11.631 1.00 0.00 C ATOM 905 O ILE A 59 -19.684 20.798 -11.469 1.00 0.00 O ATOM 906 CB ILE A 59 -17.066 19.729 -13.450 1.00 0.00 C ATOM 907 CG1 ILE A 59 -17.969 18.772 -14.232 1.00 0.00 C ATOM 908 CG2 ILE A 59 -16.509 19.004 -12.221 1.00 0.00 C ATOM 909 CD1 ILE A 59 -17.824 19.040 -15.731 1.00 0.00 C ATOM 0 H ILE A 59 -16.637 22.517 -12.236 1.00 0.00 H new ATOM 0 HA ILE A 59 -18.742 21.098 -13.702 1.00 0.00 H new ATOM 0 HB ILE A 59 -16.227 20.054 -14.066 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.701 17.739 -14.009 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -19.007 18.905 -13.927 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -15.937 18.133 -12.541 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -15.860 19.679 -11.663 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -17.333 18.683 -11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -18.468 18.358 -16.287 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -18.114 20.068 -15.946 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -16.787 18.885 -16.030 1.00 0.00 H new ATOM 921 N ILE A 60 -17.669 20.795 -10.609 1.00 0.00 N ATOM 922 CA ILE A 60 -18.235 20.680 -9.233 1.00 0.00 C ATOM 923 C ILE A 60 -19.085 21.917 -8.923 1.00 0.00 C ATOM 924 O ILE A 60 -18.970 22.936 -9.573 1.00 0.00 O ATOM 925 CB ILE A 60 -17.026 20.594 -8.297 1.00 0.00 C ATOM 926 CG1 ILE A 60 -16.477 19.164 -8.313 1.00 0.00 C ATOM 927 CG2 ILE A 60 -17.451 20.955 -6.871 1.00 0.00 C ATOM 928 CD1 ILE A 60 -15.324 19.048 -7.314 1.00 0.00 C ATOM 0 H ILE A 60 -16.651 20.829 -10.665 1.00 0.00 H new ATOM 0 HA ILE A 60 -18.881 19.809 -9.119 1.00 0.00 H new ATOM 0 HB ILE A 60 -16.257 21.290 -8.633 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -17.266 18.457 -8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -16.132 18.907 -9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.588 20.893 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -17.848 21.970 -6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -18.219 20.260 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.934 18.030 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -14.532 19.744 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.684 19.287 -6.313 1.00 0.00 H new ATOM 940 N ARG A 61 -19.947 21.834 -7.946 1.00 0.00 N ATOM 941 CA ARG A 61 -20.808 23.006 -7.614 1.00 0.00 C ATOM 942 C ARG A 61 -20.202 23.819 -6.463 1.00 0.00 C ATOM 943 O ARG A 61 -19.061 23.630 -6.088 1.00 0.00 O ATOM 944 CB ARG A 61 -22.153 22.401 -7.209 1.00 0.00 C ATOM 945 CG ARG A 61 -22.893 21.929 -8.464 1.00 0.00 C ATOM 946 CD ARG A 61 -24.238 22.650 -8.568 1.00 0.00 C ATOM 947 NE ARG A 61 -25.239 21.666 -8.076 1.00 0.00 N ATOM 948 CZ ARG A 61 -26.104 22.017 -7.166 1.00 0.00 C ATOM 949 NH1 ARG A 61 -25.715 22.697 -6.123 1.00 0.00 N ATOM 950 NH2 ARG A 61 -27.360 21.688 -7.300 1.00 0.00 N ATOM 0 H ARG A 61 -20.092 21.008 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.906 23.695 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -21.998 21.564 -6.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -22.752 23.140 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -22.292 22.130 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -23.049 20.851 -8.423 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -24.247 23.558 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -24.448 22.948 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 61 -25.249 20.717 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -24.734 22.954 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.392 22.971 -5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -27.664 21.157 -8.116 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -28.038 21.962 -6.589 1.00 0.00 H new ATOM 964 N GLN A 62 -20.956 24.735 -5.912 1.00 0.00 N ATOM 965 CA GLN A 62 -20.427 25.580 -4.798 1.00 0.00 C ATOM 966 C GLN A 62 -20.680 24.923 -3.440 1.00 0.00 C ATOM 967 O GLN A 62 -20.071 25.272 -2.449 1.00 0.00 O ATOM 968 CB GLN A 62 -21.203 26.894 -4.907 1.00 0.00 C ATOM 969 CG GLN A 62 -20.764 27.844 -3.791 1.00 0.00 C ATOM 970 CD GLN A 62 -21.786 28.974 -3.646 1.00 0.00 C ATOM 971 OE1 GLN A 62 -21.437 30.136 -3.720 1.00 0.00 O ATOM 972 NE2 GLN A 62 -23.042 28.684 -3.439 1.00 0.00 N ATOM 0 H GLN A 62 -21.918 24.935 -6.186 1.00 0.00 H new ATOM 0 HA GLN A 62 -19.349 25.723 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -21.026 27.353 -5.880 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -22.274 26.703 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -20.673 27.300 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -19.781 28.256 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -23.337 27.710 -3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -23.728 29.432 -3.340 1.00 0.00 H new ATOM 981 N ASN A 63 -21.571 23.980 -3.386 1.00 0.00 N ATOM 982 CA ASN A 63 -21.857 23.309 -2.087 1.00 0.00 C ATOM 983 C ASN A 63 -21.473 21.828 -2.159 1.00 0.00 C ATOM 984 O ASN A 63 -21.002 21.248 -1.203 1.00 0.00 O ATOM 985 CB ASN A 63 -23.364 23.467 -1.884 1.00 0.00 C ATOM 986 CG ASN A 63 -24.108 22.760 -3.017 1.00 0.00 C ATOM 987 OD1 ASN A 63 -24.479 23.379 -3.994 1.00 0.00 O ATOM 988 ND2 ASN A 63 -24.343 21.479 -2.929 1.00 0.00 N ATOM 0 H ASN A 63 -22.114 23.643 -4.181 1.00 0.00 H new ATOM 0 HA ASN A 63 -21.288 23.742 -1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -23.658 23.046 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -23.630 24.524 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -24.838 20.998 -3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -24.032 20.959 -2.109 1.00 0.00 H new ATOM 995 N GLN A 64 -21.677 21.211 -3.286 1.00 0.00 N ATOM 996 CA GLN A 64 -21.334 19.767 -3.421 1.00 0.00 C ATOM 997 C GLN A 64 -19.865 19.510 -3.059 1.00 0.00 C ATOM 998 O GLN A 64 -18.970 20.186 -3.527 1.00 0.00 O ATOM 999 CB GLN A 64 -21.579 19.446 -4.893 1.00 0.00 C ATOM 1000 CG GLN A 64 -22.158 18.037 -5.022 1.00 0.00 C ATOM 1001 CD GLN A 64 -21.058 17.075 -5.476 1.00 0.00 C ATOM 1002 OE1 GLN A 64 -20.480 17.250 -6.531 1.00 0.00 O ATOM 1003 NE2 GLN A 64 -20.743 16.062 -4.719 1.00 0.00 N ATOM 0 H GLN A 64 -22.067 21.644 -4.123 1.00 0.00 H new ATOM 0 HA GLN A 64 -21.929 19.146 -2.751 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -22.267 20.173 -5.325 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -20.646 19.519 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -22.569 17.712 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -22.978 18.033 -5.740 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -21.229 15.916 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -20.011 15.415 -5.012 1.00 0.00 H new ATOM 1012 N ALA A 65 -19.615 18.521 -2.242 1.00 0.00 N ATOM 1013 CA ALA A 65 -18.212 18.192 -1.857 1.00 0.00 C ATOM 1014 C ALA A 65 -17.807 16.862 -2.500 1.00 0.00 C ATOM 1015 O ALA A 65 -18.632 15.996 -2.726 1.00 0.00 O ATOM 1016 CB ALA A 65 -18.238 18.073 -0.332 1.00 0.00 C ATOM 0 H ALA A 65 -20.327 17.924 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.494 18.943 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.239 17.831 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.563 19.019 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.931 17.284 -0.040 1.00 0.00 H new ATOM 1022 N LEU A 66 -16.550 16.685 -2.806 1.00 0.00 N ATOM 1023 CA LEU A 66 -16.125 15.404 -3.445 1.00 0.00 C ATOM 1024 C LEU A 66 -15.109 14.666 -2.569 1.00 0.00 C ATOM 1025 O LEU A 66 -14.070 15.193 -2.228 1.00 0.00 O ATOM 1026 CB LEU A 66 -15.484 15.817 -4.770 1.00 0.00 C ATOM 1027 CG LEU A 66 -16.386 15.393 -5.931 1.00 0.00 C ATOM 1028 CD1 LEU A 66 -16.697 13.900 -5.820 1.00 0.00 C ATOM 1029 CD2 LEU A 66 -17.690 16.190 -5.883 1.00 0.00 C ATOM 0 H LEU A 66 -15.805 17.363 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.965 14.724 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.331 16.896 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.503 15.354 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.876 15.588 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.340 13.600 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -15.768 13.331 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.206 13.703 -4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.332 15.887 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -18.200 15.997 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -17.469 17.254 -5.965 1.00 0.00 H new ATOM 1041 N ARG A 67 -15.394 13.444 -2.218 1.00 0.00 N ATOM 1042 CA ARG A 67 -14.435 12.670 -1.379 1.00 0.00 C ATOM 1043 C ARG A 67 -13.488 11.885 -2.289 1.00 0.00 C ATOM 1044 O ARG A 67 -13.913 11.085 -3.097 1.00 0.00 O ATOM 1045 CB ARG A 67 -15.303 11.722 -0.550 1.00 0.00 C ATOM 1046 CG ARG A 67 -14.491 11.193 0.633 1.00 0.00 C ATOM 1047 CD ARG A 67 -15.359 11.206 1.894 1.00 0.00 C ATOM 1048 NE ARG A 67 -14.442 10.800 2.994 1.00 0.00 N ATOM 1049 CZ ARG A 67 -14.928 10.264 4.081 1.00 0.00 C ATOM 1050 NH1 ARG A 67 -15.439 9.065 4.041 1.00 0.00 N ATOM 1051 NH2 ARG A 67 -14.901 10.926 5.206 1.00 0.00 N ATOM 0 H ARG A 67 -16.247 12.947 -2.474 1.00 0.00 H new ATOM 0 HA ARG A 67 -13.822 13.306 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.191 12.244 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.648 10.893 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.146 10.180 0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.604 11.808 0.783 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.779 12.196 2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.198 10.516 1.804 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.436 10.940 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.458 8.548 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.819 8.644 4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.500 11.863 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.281 10.506 6.054 1.00 0.00 H new ATOM 1065 N LEU A 68 -12.209 12.122 -2.181 1.00 0.00 N ATOM 1066 CA LEU A 68 -11.249 11.397 -3.064 1.00 0.00 C ATOM 1067 C LEU A 68 -10.371 10.435 -2.258 1.00 0.00 C ATOM 1068 O LEU A 68 -9.883 10.761 -1.195 1.00 0.00 O ATOM 1069 CB LEU A 68 -10.392 12.493 -3.699 1.00 0.00 C ATOM 1070 CG LEU A 68 -10.910 12.800 -5.105 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -10.919 11.519 -5.938 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -12.332 13.358 -5.013 1.00 0.00 C ATOM 0 H LEU A 68 -11.789 12.781 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.767 10.790 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.422 13.393 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.351 12.173 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.260 13.535 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.288 11.739 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.907 11.121 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.569 10.782 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.702 13.577 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -12.982 12.622 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.326 14.273 -4.420 1.00 0.00 H new ATOM 1084 N ARG A 69 -10.160 9.253 -2.773 1.00 0.00 N ATOM 1085 CA ARG A 69 -9.304 8.261 -2.063 1.00 0.00 C ATOM 1086 C ARG A 69 -8.232 7.735 -3.020 1.00 0.00 C ATOM 1087 O ARG A 69 -8.433 7.676 -4.216 1.00 0.00 O ATOM 1088 CB ARG A 69 -10.255 7.137 -1.651 1.00 0.00 C ATOM 1089 CG ARG A 69 -9.563 6.224 -0.635 1.00 0.00 C ATOM 1090 CD ARG A 69 -10.593 5.721 0.378 1.00 0.00 C ATOM 1091 NE ARG A 69 -9.799 4.991 1.407 1.00 0.00 N ATOM 1092 CZ ARG A 69 -10.086 3.751 1.692 1.00 0.00 C ATOM 1093 NH1 ARG A 69 -9.892 2.815 0.803 1.00 0.00 N ATOM 1094 NH2 ARG A 69 -10.568 3.448 2.867 1.00 0.00 N ATOM 0 H ARG A 69 -10.547 8.931 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.791 8.689 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.164 7.556 -1.219 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.555 6.562 -2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.096 5.381 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.768 6.767 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.147 6.548 0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.324 5.065 -0.095 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.032 5.461 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.516 3.053 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.116 1.845 1.026 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.720 4.181 3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.793 2.479 3.091 1.00 0.00 H new ATOM 1108 N ALA A 70 -7.094 7.356 -2.510 1.00 0.00 N ATOM 1109 CA ALA A 70 -6.016 6.843 -3.405 1.00 0.00 C ATOM 1110 C ALA A 70 -6.469 5.562 -4.116 1.00 0.00 C ATOM 1111 O ALA A 70 -7.064 4.685 -3.519 1.00 0.00 O ATOM 1112 CB ALA A 70 -4.833 6.554 -2.480 1.00 0.00 C ATOM 0 H ALA A 70 -6.863 7.378 -1.517 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.759 7.559 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.997 6.172 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.532 7.473 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.125 5.811 -1.737 1.00 0.00 H new ATOM 1118 N ARG A 71 -6.191 5.448 -5.389 1.00 0.00 N ATOM 1119 CA ARG A 71 -6.601 4.224 -6.140 1.00 0.00 C ATOM 1120 C ARG A 71 -5.374 3.364 -6.450 1.00 0.00 C ATOM 1121 O ARG A 71 -5.468 2.163 -6.611 1.00 0.00 O ATOM 1122 CB ARG A 71 -7.233 4.741 -7.434 1.00 0.00 C ATOM 1123 CG ARG A 71 -7.428 3.574 -8.408 1.00 0.00 C ATOM 1124 CD ARG A 71 -8.616 2.723 -7.956 1.00 0.00 C ATOM 1125 NE ARG A 71 -8.458 1.429 -8.679 1.00 0.00 N ATOM 1126 CZ ARG A 71 -7.799 0.447 -8.124 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -8.386 -0.319 -7.244 1.00 0.00 N ATOM 1128 NH2 ARG A 71 -6.553 0.231 -8.447 1.00 0.00 N ATOM 0 H ARG A 71 -5.698 6.150 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.293 3.603 -5.571 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.191 5.214 -7.220 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.595 5.502 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.601 3.953 -9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.525 2.965 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.608 2.576 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.563 3.202 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.864 1.310 -9.607 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.359 -0.151 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.871 -1.086 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.093 0.829 -9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.039 -0.536 -8.013 1.00 0.00 H new ATOM 1142 N LYS A 72 -4.221 3.970 -6.536 1.00 0.00 N ATOM 1143 CA LYS A 72 -2.986 3.187 -6.835 1.00 0.00 C ATOM 1144 C LYS A 72 -1.793 3.761 -6.066 1.00 0.00 C ATOM 1145 O LYS A 72 -0.679 3.756 -6.547 1.00 0.00 O ATOM 1146 CB LYS A 72 -2.760 3.317 -8.350 1.00 0.00 C ATOM 1147 CG LYS A 72 -3.210 4.694 -8.847 1.00 0.00 C ATOM 1148 CD LYS A 72 -4.554 4.563 -9.568 1.00 0.00 C ATOM 1149 CE LYS A 72 -4.323 4.590 -11.081 1.00 0.00 C ATOM 1150 NZ LYS A 72 -5.579 5.153 -11.650 1.00 0.00 N ATOM 0 H LYS A 72 -4.080 4.973 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.091 2.144 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.705 3.169 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -3.313 2.537 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.301 5.383 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.462 5.111 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.045 3.633 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.217 5.377 -9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.462 5.206 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.127 3.590 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.499 5.204 -12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.381 4.542 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.736 6.107 -11.268 1.00 0.00 H new ATOM 1164 N GLU A 73 -2.023 4.251 -4.874 1.00 0.00 N ATOM 1165 CA GLU A 73 -0.908 4.829 -4.059 1.00 0.00 C ATOM 1166 C GLU A 73 0.060 5.614 -4.955 1.00 0.00 C ATOM 1167 O GLU A 73 -0.276 5.988 -6.060 1.00 0.00 O ATOM 1168 CB GLU A 73 -0.227 3.618 -3.389 1.00 0.00 C ATOM 1169 CG GLU A 73 1.018 3.176 -4.173 1.00 0.00 C ATOM 1170 CD GLU A 73 1.291 1.694 -3.907 1.00 0.00 C ATOM 1171 OE1 GLU A 73 0.342 0.928 -3.901 1.00 0.00 O ATOM 1172 OE2 GLU A 73 2.446 1.351 -3.711 1.00 0.00 O ATOM 0 H GLU A 73 -2.939 4.276 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.261 5.540 -3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.055 3.875 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.933 2.790 -3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.867 3.343 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.879 3.774 -3.875 1.00 0.00 H new ATOM 1179 N CYS A 74 1.254 5.874 -4.480 1.00 0.00 N ATOM 1180 CA CYS A 74 2.259 6.639 -5.291 1.00 0.00 C ATOM 1181 C CYS A 74 1.948 8.145 -5.283 1.00 0.00 C ATOM 1182 O CYS A 74 2.844 8.966 -5.283 1.00 0.00 O ATOM 1183 CB CYS A 74 2.166 6.073 -6.712 1.00 0.00 C ATOM 1184 SG CYS A 74 3.828 5.891 -7.400 1.00 0.00 S ATOM 0 H CYS A 74 1.580 5.587 -3.557 1.00 0.00 H new ATOM 0 HA CYS A 74 3.263 6.531 -4.880 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.659 5.108 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.571 6.736 -7.341 1.00 0.00 H new ATOM 0 HG CYS A 74 3.749 5.409 -8.605 1.00 0.00 H new ATOM 1190 N TRP A 75 0.696 8.518 -5.273 1.00 0.00 N ATOM 1191 CA TRP A 75 0.347 9.966 -5.262 1.00 0.00 C ATOM 1192 C TRP A 75 0.625 10.554 -3.871 1.00 0.00 C ATOM 1193 O TRP A 75 -0.015 10.208 -2.899 1.00 0.00 O ATOM 1194 CB TRP A 75 -1.150 9.986 -5.611 1.00 0.00 C ATOM 1195 CG TRP A 75 -1.868 11.058 -4.852 1.00 0.00 C ATOM 1196 CD1 TRP A 75 -1.679 12.381 -5.022 1.00 0.00 C ATOM 1197 CD2 TRP A 75 -2.886 10.918 -3.819 1.00 0.00 C ATOM 1198 NE1 TRP A 75 -2.511 13.068 -4.160 1.00 0.00 N ATOM 1199 CE2 TRP A 75 -3.276 12.210 -3.398 1.00 0.00 C ATOM 1200 CE3 TRP A 75 -3.503 9.809 -3.213 1.00 0.00 C ATOM 1201 CZ2 TRP A 75 -4.240 12.398 -2.411 1.00 0.00 C ATOM 1202 CZ3 TRP A 75 -4.476 9.993 -2.218 1.00 0.00 C ATOM 1203 CH2 TRP A 75 -4.845 11.285 -1.818 1.00 0.00 C ATOM 0 H TRP A 75 -0.100 7.881 -5.272 1.00 0.00 H new ATOM 0 HA TRP A 75 0.929 10.566 -5.962 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -1.274 10.149 -6.682 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -1.592 9.016 -5.383 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -0.988 12.832 -5.720 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.554 14.085 -4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -3.227 8.810 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.519 13.396 -2.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.943 9.135 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.595 11.421 -1.053 1.00 0.00 H new ATOM 1214 N ASP A 76 1.586 11.434 -3.774 1.00 0.00 N ATOM 1215 CA ASP A 76 1.918 12.039 -2.451 1.00 0.00 C ATOM 1216 C ASP A 76 0.908 13.131 -2.082 1.00 0.00 C ATOM 1217 O ASP A 76 0.886 14.193 -2.673 1.00 0.00 O ATOM 1218 CB ASP A 76 3.309 12.645 -2.642 1.00 0.00 C ATOM 1219 CG ASP A 76 4.041 12.684 -1.299 1.00 0.00 C ATOM 1220 OD1 ASP A 76 3.374 12.610 -0.282 1.00 0.00 O ATOM 1221 OD2 ASP A 76 5.257 12.788 -1.313 1.00 0.00 O ATOM 0 H ASP A 76 2.156 11.760 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 76 1.889 11.305 -1.646 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.878 12.055 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.225 13.652 -3.051 1.00 0.00 H new ATOM 1226 N ARG A 77 0.081 12.883 -1.102 1.00 0.00 N ATOM 1227 CA ARG A 77 -0.917 13.914 -0.687 1.00 0.00 C ATOM 1228 C ARG A 77 -0.303 14.833 0.371 1.00 0.00 C ATOM 1229 O ARG A 77 -0.480 16.034 0.345 1.00 0.00 O ATOM 1230 CB ARG A 77 -2.089 13.125 -0.099 1.00 0.00 C ATOM 1231 CG ARG A 77 -3.191 14.090 0.354 1.00 0.00 C ATOM 1232 CD ARG A 77 -3.488 15.097 -0.762 1.00 0.00 C ATOM 1233 NE ARG A 77 -2.851 16.368 -0.318 1.00 0.00 N ATOM 1234 CZ ARG A 77 -3.325 17.509 -0.735 1.00 0.00 C ATOM 1235 NH1 ARG A 77 -4.143 17.541 -1.750 1.00 0.00 N ATOM 1236 NH2 ARG A 77 -2.984 18.618 -0.137 1.00 0.00 N ATOM 0 H ARG A 77 0.052 12.013 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.233 14.544 -1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.483 12.433 -0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.748 12.526 0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.094 13.534 0.605 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.879 14.615 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.077 14.762 -1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.561 15.223 -0.904 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.047 16.346 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.411 16.674 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.515 18.433 -2.077 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.346 18.593 0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.356 19.509 -0.465 1.00 0.00 H new ATOM 1250 N ASP A 78 0.421 14.273 1.302 1.00 0.00 N ATOM 1251 CA ASP A 78 1.051 15.107 2.364 1.00 0.00 C ATOM 1252 C ASP A 78 2.543 15.289 2.075 1.00 0.00 C ATOM 1253 O ASP A 78 3.220 16.065 2.721 1.00 0.00 O ATOM 1254 CB ASP A 78 0.850 14.316 3.657 1.00 0.00 C ATOM 1255 CG ASP A 78 1.352 15.141 4.843 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.755 16.169 5.119 1.00 0.00 O ATOM 1257 OD2 ASP A 78 2.324 14.733 5.456 1.00 0.00 O ATOM 0 H ASP A 78 0.603 13.272 1.373 1.00 0.00 H new ATOM 0 HA ASP A 78 0.614 16.104 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.205 14.075 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.389 13.370 3.605 1.00 0.00 H new ATOM 1262 N GLY A 79 3.062 14.579 1.111 1.00 0.00 N ATOM 1263 CA GLY A 79 4.510 14.711 0.786 1.00 0.00 C ATOM 1264 C GLY A 79 5.273 13.507 1.340 1.00 0.00 C ATOM 1265 O GLY A 79 6.458 13.359 1.123 1.00 0.00 O ATOM 0 H GLY A 79 2.546 13.914 0.535 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.646 14.775 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.906 15.633 1.212 1.00 0.00 H new ATOM 1269 N LYS A 80 4.603 12.644 2.055 1.00 0.00 N ATOM 1270 CA LYS A 80 5.292 11.449 2.621 1.00 0.00 C ATOM 1271 C LYS A 80 4.941 10.203 1.805 1.00 0.00 C ATOM 1272 O LYS A 80 5.364 9.107 2.115 1.00 0.00 O ATOM 1273 CB LYS A 80 4.763 11.321 4.050 1.00 0.00 C ATOM 1274 CG LYS A 80 5.244 12.512 4.883 1.00 0.00 C ATOM 1275 CD LYS A 80 5.937 12.004 6.150 1.00 0.00 C ATOM 1276 CE LYS A 80 5.240 12.586 7.383 1.00 0.00 C ATOM 1277 NZ LYS A 80 6.244 12.474 8.478 1.00 0.00 N ATOM 0 H LYS A 80 3.609 12.715 2.272 1.00 0.00 H new ATOM 0 HA LYS A 80 6.377 11.550 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.674 11.285 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.110 10.389 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.933 13.123 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.400 13.148 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.906 10.915 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.988 12.293 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.948 13.623 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.332 12.033 7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.841 12.853 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.498 11.475 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.095 13.016 8.225 1.00 0.00 H new ATOM 1291 N GLU A 81 4.170 10.361 0.764 1.00 0.00 N ATOM 1292 CA GLU A 81 3.791 9.185 -0.068 1.00 0.00 C ATOM 1293 C GLU A 81 3.099 8.131 0.797 1.00 0.00 C ATOM 1294 O GLU A 81 3.708 7.507 1.643 1.00 0.00 O ATOM 1295 CB GLU A 81 5.109 8.650 -0.627 1.00 0.00 C ATOM 1296 CG GLU A 81 5.888 9.796 -1.272 1.00 0.00 C ATOM 1297 CD GLU A 81 5.316 10.087 -2.660 1.00 0.00 C ATOM 1298 OE1 GLU A 81 4.468 9.330 -3.100 1.00 0.00 O ATOM 1299 OE2 GLU A 81 5.736 11.063 -3.259 1.00 0.00 O ATOM 0 H GLU A 81 3.786 11.254 0.454 1.00 0.00 H new ATOM 0 HA GLU A 81 3.094 9.447 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.699 8.198 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.915 7.869 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.827 10.688 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.943 9.534 -1.350 1.00 0.00 H new ATOM 1306 N ARG A 82 1.828 7.938 0.594 1.00 0.00 N ATOM 1307 CA ARG A 82 1.080 6.935 1.406 1.00 0.00 C ATOM 1308 C ARG A 82 0.607 5.775 0.528 1.00 0.00 C ATOM 1309 O ARG A 82 0.849 5.742 -0.662 1.00 0.00 O ATOM 1310 CB ARG A 82 -0.116 7.697 1.975 1.00 0.00 C ATOM 1311 CG ARG A 82 0.350 8.601 3.118 1.00 0.00 C ATOM 1312 CD ARG A 82 -0.350 8.185 4.413 1.00 0.00 C ATOM 1313 NE ARG A 82 -1.702 8.804 4.334 1.00 0.00 N ATOM 1314 CZ ARG A 82 -1.827 10.104 4.345 1.00 0.00 C ATOM 1315 NH1 ARG A 82 -1.537 10.778 5.424 1.00 0.00 N ATOM 1316 NH2 ARG A 82 -2.242 10.728 3.277 1.00 0.00 N ATOM 0 H ARG A 82 1.270 8.433 -0.102 1.00 0.00 H new ATOM 0 HA ARG A 82 1.701 6.501 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.585 8.294 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.869 6.996 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.431 8.528 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.124 9.642 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.416 7.100 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.196 8.538 5.288 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.531 8.213 4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.213 10.290 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.635 11.793 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.469 10.201 2.434 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.340 11.743 3.285 1.00 0.00 H new ATOM 1330 N VAL A 83 -0.062 4.819 1.113 1.00 0.00 N ATOM 1331 CA VAL A 83 -0.551 3.651 0.325 1.00 0.00 C ATOM 1332 C VAL A 83 -1.929 3.945 -0.279 1.00 0.00 C ATOM 1333 O VAL A 83 -2.568 4.925 0.051 1.00 0.00 O ATOM 1334 CB VAL A 83 -0.641 2.511 1.339 1.00 0.00 C ATOM 1335 CG1 VAL A 83 -1.869 2.709 2.232 1.00 0.00 C ATOM 1336 CG2 VAL A 83 -0.759 1.177 0.599 1.00 0.00 C ATOM 0 H VAL A 83 -0.292 4.796 2.106 1.00 0.00 H new ATOM 0 HA VAL A 83 0.108 3.411 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 83 0.257 2.507 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.929 1.894 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.784 3.658 2.762 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.769 2.716 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.823 0.364 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.656 1.183 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.118 1.032 -0.032 1.00 0.00 H new ATOM 1346 N THR A 84 -2.393 3.096 -1.158 1.00 0.00 N ATOM 1347 CA THR A 84 -3.730 3.316 -1.783 1.00 0.00 C ATOM 1348 C THR A 84 -4.772 3.625 -0.704 1.00 0.00 C ATOM 1349 O THR A 84 -5.797 4.224 -0.966 1.00 0.00 O ATOM 1350 CB THR A 84 -4.059 1.997 -2.484 1.00 0.00 C ATOM 1351 OG1 THR A 84 -3.282 0.954 -1.913 1.00 0.00 O ATOM 1352 CG2 THR A 84 -3.739 2.115 -3.974 1.00 0.00 C ATOM 0 H THR A 84 -1.902 2.258 -1.470 1.00 0.00 H new ATOM 0 HA THR A 84 -3.731 4.158 -2.476 1.00 0.00 H new ATOM 0 HB THR A 84 -5.118 1.773 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.521 0.755 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.974 1.174 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.335 2.916 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.680 2.339 -4.102 1.00 0.00 H new ATOM 1360 N GLY A 85 -4.516 3.214 0.505 1.00 0.00 N ATOM 1361 CA GLY A 85 -5.485 3.471 1.609 1.00 0.00 C ATOM 1362 C GLY A 85 -5.604 4.977 1.856 1.00 0.00 C ATOM 1363 O GLY A 85 -6.660 5.477 2.189 1.00 0.00 O ATOM 0 H GLY A 85 -3.674 2.708 0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.460 3.057 1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.155 2.969 2.519 1.00 0.00 H new ATOM 1367 N GLU A 86 -4.532 5.705 1.697 1.00 0.00 N ATOM 1368 CA GLU A 86 -4.591 7.178 1.928 1.00 0.00 C ATOM 1369 C GLU A 86 -5.774 7.777 1.154 1.00 0.00 C ATOM 1370 O GLU A 86 -6.306 7.165 0.250 1.00 0.00 O ATOM 1371 CB GLU A 86 -3.233 7.710 1.427 1.00 0.00 C ATOM 1372 CG GLU A 86 -3.381 8.422 0.075 1.00 0.00 C ATOM 1373 CD GLU A 86 -2.026 8.462 -0.632 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -1.625 7.439 -1.161 1.00 0.00 O ATOM 1375 OE2 GLU A 86 -1.412 9.517 -0.632 1.00 0.00 O ATOM 0 H GLU A 86 -3.619 5.345 1.418 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.750 7.446 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.817 8.400 2.161 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.529 6.884 1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.111 7.901 -0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.755 9.435 0.224 1.00 0.00 H new ATOM 1382 N GLU A 87 -6.190 8.963 1.502 1.00 0.00 N ATOM 1383 CA GLU A 87 -7.339 9.584 0.782 1.00 0.00 C ATOM 1384 C GLU A 87 -7.335 11.106 0.968 1.00 0.00 C ATOM 1385 O GLU A 87 -6.872 11.620 1.968 1.00 0.00 O ATOM 1386 CB GLU A 87 -8.583 8.970 1.425 1.00 0.00 C ATOM 1387 CG GLU A 87 -8.678 9.422 2.883 1.00 0.00 C ATOM 1388 CD GLU A 87 -10.083 9.139 3.417 1.00 0.00 C ATOM 1389 OE1 GLU A 87 -10.976 9.917 3.122 1.00 0.00 O ATOM 1390 OE2 GLU A 87 -10.243 8.149 4.111 1.00 0.00 O ATOM 0 H GLU A 87 -5.787 9.527 2.250 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.297 9.401 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.476 9.275 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.534 7.882 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.936 8.898 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.456 10.486 2.960 1.00 0.00 H new ATOM 1397 N TRP A 88 -7.856 11.826 0.011 1.00 0.00 N ATOM 1398 CA TRP A 88 -7.898 13.312 0.122 1.00 0.00 C ATOM 1399 C TRP A 88 -9.301 13.804 -0.254 1.00 0.00 C ATOM 1400 O TRP A 88 -9.976 13.213 -1.070 1.00 0.00 O ATOM 1401 CB TRP A 88 -6.819 13.810 -0.864 1.00 0.00 C ATOM 1402 CG TRP A 88 -7.341 14.921 -1.734 1.00 0.00 C ATOM 1403 CD1 TRP A 88 -7.992 14.744 -2.907 1.00 0.00 C ATOM 1404 CD2 TRP A 88 -7.263 16.364 -1.523 1.00 0.00 C ATOM 1405 NE1 TRP A 88 -8.319 15.984 -3.430 1.00 0.00 N ATOM 1406 CE2 TRP A 88 -7.891 17.013 -2.614 1.00 0.00 C ATOM 1407 CE3 TRP A 88 -6.715 17.162 -0.504 1.00 0.00 C ATOM 1408 CZ2 TRP A 88 -7.971 18.407 -2.690 1.00 0.00 C ATOM 1409 CZ3 TRP A 88 -6.795 18.564 -0.577 1.00 0.00 C ATOM 1410 CH2 TRP A 88 -7.421 19.184 -1.668 1.00 0.00 C ATOM 0 H TRP A 88 -8.256 11.446 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 88 -7.701 13.683 1.128 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.949 14.160 -0.308 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.486 12.982 -1.490 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.220 13.791 -3.361 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -8.815 16.121 -4.310 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.229 16.695 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.454 18.879 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.372 19.167 0.212 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -7.478 20.261 -1.718 1.00 0.00 H new ATOM 1421 N LEU A 89 -9.743 14.878 0.336 1.00 0.00 N ATOM 1422 CA LEU A 89 -11.099 15.398 0.008 1.00 0.00 C ATOM 1423 C LEU A 89 -10.986 16.699 -0.788 1.00 0.00 C ATOM 1424 O LEU A 89 -9.955 17.341 -0.803 1.00 0.00 O ATOM 1425 CB LEU A 89 -11.763 15.650 1.360 1.00 0.00 C ATOM 1426 CG LEU A 89 -13.249 15.300 1.272 1.00 0.00 C ATOM 1427 CD1 LEU A 89 -13.812 15.126 2.680 1.00 0.00 C ATOM 1428 CD2 LEU A 89 -13.998 16.428 0.567 1.00 0.00 C ATOM 0 H LEU A 89 -9.226 15.418 1.030 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.673 14.702 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.282 15.048 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.641 16.694 1.648 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.371 14.374 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.871 14.876 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.278 14.323 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.689 16.054 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.057 16.178 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.876 17.353 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.596 16.559 -0.438 1.00 0.00 H new ATOM 1440 N VAL A 90 -12.038 17.095 -1.452 1.00 0.00 N ATOM 1441 CA VAL A 90 -11.985 18.355 -2.245 1.00 0.00 C ATOM 1442 C VAL A 90 -13.267 19.172 -2.044 1.00 0.00 C ATOM 1443 O VAL A 90 -14.356 18.740 -2.376 1.00 0.00 O ATOM 1444 CB VAL A 90 -11.848 17.901 -3.699 1.00 0.00 C ATOM 1445 CG1 VAL A 90 -13.088 17.110 -4.112 1.00 0.00 C ATOM 1446 CG2 VAL A 90 -11.703 19.124 -4.605 1.00 0.00 C ATOM 0 H VAL A 90 -12.930 16.601 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.159 18.999 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.966 17.268 -3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.986 16.789 -5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.192 16.236 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.972 17.741 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.605 18.800 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.584 19.758 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.816 19.688 -4.316 1.00 0.00 H new ATOM 1456 N THR A 91 -13.140 20.354 -1.503 1.00 0.00 N ATOM 1457 CA THR A 91 -14.340 21.211 -1.279 1.00 0.00 C ATOM 1458 C THR A 91 -14.217 22.499 -2.097 1.00 0.00 C ATOM 1459 O THR A 91 -14.582 23.569 -1.651 1.00 0.00 O ATOM 1460 CB THR A 91 -14.333 21.525 0.219 1.00 0.00 C ATOM 1461 OG1 THR A 91 -12.994 21.513 0.696 1.00 0.00 O ATOM 1462 CG2 THR A 91 -15.154 20.478 0.971 1.00 0.00 C ATOM 0 H THR A 91 -12.255 20.764 -1.206 1.00 0.00 H new ATOM 0 HA THR A 91 -15.264 20.721 -1.585 1.00 0.00 H new ATOM 0 HB THR A 91 -14.771 22.509 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 91 -12.986 21.716 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.146 20.706 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 91 -16.181 20.489 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.722 19.491 0.808 1.00 0.00 H new ATOM 1470 N THR A 92 -13.695 22.403 -3.289 1.00 0.00 N ATOM 1471 CA THR A 92 -13.535 23.619 -4.136 1.00 0.00 C ATOM 1472 C THR A 92 -14.796 23.863 -4.971 1.00 0.00 C ATOM 1473 O THR A 92 -15.332 22.960 -5.582 1.00 0.00 O ATOM 1474 CB THR A 92 -12.345 23.306 -5.045 1.00 0.00 C ATOM 1475 OG1 THR A 92 -11.368 22.583 -4.309 1.00 0.00 O ATOM 1476 CG2 THR A 92 -11.736 24.609 -5.562 1.00 0.00 C ATOM 0 H THR A 92 -13.372 21.534 -3.714 1.00 0.00 H new ATOM 0 HA THR A 92 -13.376 24.518 -3.540 1.00 0.00 H new ATOM 0 HB THR A 92 -12.682 22.707 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.605 22.380 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.889 24.383 -6.209 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.486 25.162 -6.127 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.398 25.212 -4.719 1.00 0.00 H new ATOM 1484 N VAL A 93 -15.268 25.080 -5.006 1.00 0.00 N ATOM 1485 CA VAL A 93 -16.489 25.385 -5.807 1.00 0.00 C ATOM 1486 C VAL A 93 -16.132 25.455 -7.293 1.00 0.00 C ATOM 1487 O VAL A 93 -15.044 25.853 -7.661 1.00 0.00 O ATOM 1488 CB VAL A 93 -16.966 26.747 -5.307 1.00 0.00 C ATOM 1489 CG1 VAL A 93 -18.138 27.221 -6.169 1.00 0.00 C ATOM 1490 CG2 VAL A 93 -17.418 26.621 -3.851 1.00 0.00 C ATOM 0 H VAL A 93 -14.861 25.876 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 93 -17.259 24.622 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 93 -16.152 27.469 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -18.481 28.193 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -17.815 27.306 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -18.954 26.502 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -17.759 27.591 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -18.234 25.902 -3.784 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -16.583 26.280 -3.239 1.00 0.00 H new ATOM 1500 N GLY A 94 -17.036 25.070 -8.152 1.00 0.00 N ATOM 1501 CA GLY A 94 -16.737 25.114 -9.609 1.00 0.00 C ATOM 1502 C GLY A 94 -15.341 24.540 -9.848 1.00 0.00 C ATOM 1503 O GLY A 94 -14.373 25.264 -9.962 1.00 0.00 O ATOM 0 H GLY A 94 -17.965 24.728 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.480 24.540 -10.163 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.790 26.140 -9.973 1.00 0.00 H new ATOM 1507 N ALA A 95 -15.229 23.243 -9.915 1.00 0.00 N ATOM 1508 CA ALA A 95 -13.892 22.625 -10.137 1.00 0.00 C ATOM 1509 C ALA A 95 -14.043 21.162 -10.538 1.00 0.00 C ATOM 1510 O ALA A 95 -14.941 20.477 -10.091 1.00 0.00 O ATOM 1511 CB ALA A 95 -13.179 22.737 -8.793 1.00 0.00 C ATOM 0 H ALA A 95 -16.003 22.585 -9.826 1.00 0.00 H new ATOM 0 HA ALA A 95 -13.340 23.117 -10.938 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.183 22.302 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.096 23.787 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -13.749 22.202 -8.033 1.00 0.00 H new ATOM 1517 N TYR A 96 -13.171 20.681 -11.381 1.00 0.00 N ATOM 1518 CA TYR A 96 -13.262 19.261 -11.826 1.00 0.00 C ATOM 1519 C TYR A 96 -11.945 18.520 -11.561 1.00 0.00 C ATOM 1520 O TYR A 96 -11.889 17.308 -11.627 1.00 0.00 O ATOM 1521 CB TYR A 96 -13.533 19.350 -13.329 1.00 0.00 C ATOM 1522 CG TYR A 96 -13.577 17.963 -13.926 1.00 0.00 C ATOM 1523 CD1 TYR A 96 -13.920 16.865 -13.128 1.00 0.00 C ATOM 1524 CD2 TYR A 96 -13.277 17.777 -15.280 1.00 0.00 C ATOM 1525 CE1 TYR A 96 -13.960 15.581 -13.684 1.00 0.00 C ATOM 1526 CE2 TYR A 96 -13.318 16.494 -15.837 1.00 0.00 C ATOM 1527 CZ TYR A 96 -13.660 15.396 -15.039 1.00 0.00 C ATOM 1528 OH TYR A 96 -13.702 14.129 -15.587 1.00 0.00 O ATOM 0 H TYR A 96 -12.397 21.211 -11.782 1.00 0.00 H new ATOM 0 HA TYR A 96 -14.037 18.710 -11.292 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -14.478 19.862 -13.507 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -12.755 19.940 -13.814 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -14.154 17.009 -12.083 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -13.014 18.624 -15.896 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -14.222 14.733 -13.068 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -13.086 16.351 -16.882 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.469 14.176 -16.538 1.00 0.00 H new ATOM 1538 N LEU A 97 -10.886 19.232 -11.268 1.00 0.00 N ATOM 1539 CA LEU A 97 -9.578 18.555 -11.008 1.00 0.00 C ATOM 1540 C LEU A 97 -9.795 17.288 -10.173 1.00 0.00 C ATOM 1541 O LEU A 97 -9.940 17.350 -8.968 1.00 0.00 O ATOM 1542 CB LEU A 97 -8.734 19.577 -10.241 1.00 0.00 C ATOM 1543 CG LEU A 97 -9.529 20.132 -9.060 1.00 0.00 C ATOM 1544 CD1 LEU A 97 -8.821 19.769 -7.754 1.00 0.00 C ATOM 1545 CD2 LEU A 97 -9.617 21.656 -9.182 1.00 0.00 C ATOM 0 H LEU A 97 -10.870 20.249 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.086 18.245 -11.930 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.817 19.109 -9.884 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.440 20.389 -10.905 1.00 0.00 H new ATOM 0 HG LEU A 97 -10.532 19.705 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.387 20.165 -6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.751 18.685 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -7.819 20.199 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.184 22.056 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.613 22.080 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.117 21.918 -10.114 1.00 0.00 H new ATOM 1557 N PRO A 98 -9.820 16.176 -10.859 1.00 0.00 N ATOM 1558 CA PRO A 98 -10.037 14.867 -10.204 1.00 0.00 C ATOM 1559 C PRO A 98 -8.711 14.272 -9.710 1.00 0.00 C ATOM 1560 O PRO A 98 -8.641 13.116 -9.341 1.00 0.00 O ATOM 1561 CB PRO A 98 -10.618 14.014 -11.326 1.00 0.00 C ATOM 1562 CG PRO A 98 -10.128 14.631 -12.605 1.00 0.00 C ATOM 1563 CD PRO A 98 -9.657 16.037 -12.306 1.00 0.00 C ATOM 0 HA PRO A 98 -10.681 14.931 -9.327 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.289 12.978 -11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.707 14.007 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.314 14.039 -13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.925 14.648 -13.348 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.618 16.180 -12.604 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -10.248 16.777 -12.845 1.00 0.00 H new ATOM 1571 N ALA A 99 -7.660 15.044 -9.705 1.00 0.00 N ATOM 1572 CA ALA A 99 -6.346 14.511 -9.240 1.00 0.00 C ATOM 1573 C ALA A 99 -5.824 13.462 -10.227 1.00 0.00 C ATOM 1574 O ALA A 99 -6.224 13.425 -11.374 1.00 0.00 O ATOM 1575 CB ALA A 99 -6.628 13.874 -7.878 1.00 0.00 C ATOM 0 H ALA A 99 -7.653 16.020 -10.002 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.587 15.291 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.705 13.459 -7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.016 14.630 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.364 13.078 -7.994 1.00 0.00 H new ATOM 1581 N VAL A 100 -4.935 12.607 -9.795 1.00 0.00 N ATOM 1582 CA VAL A 100 -4.396 11.566 -10.720 1.00 0.00 C ATOM 1583 C VAL A 100 -4.608 10.159 -10.144 1.00 0.00 C ATOM 1584 O VAL A 100 -5.197 9.308 -10.779 1.00 0.00 O ATOM 1585 CB VAL A 100 -2.897 11.872 -10.885 1.00 0.00 C ATOM 1586 CG1 VAL A 100 -2.707 12.860 -12.037 1.00 0.00 C ATOM 1587 CG2 VAL A 100 -2.320 12.482 -9.601 1.00 0.00 C ATOM 0 H VAL A 100 -4.560 12.584 -8.847 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.910 11.588 -11.681 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.374 10.939 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.646 13.079 -12.157 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.094 12.424 -12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.246 13.782 -11.818 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.259 12.690 -9.742 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.844 13.410 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.446 11.780 -8.776 1.00 0.00 H new ATOM 1597 N PHE A 101 -4.138 9.901 -8.951 1.00 0.00 N ATOM 1598 CA PHE A 101 -4.325 8.545 -8.358 1.00 0.00 C ATOM 1599 C PHE A 101 -5.514 8.550 -7.395 1.00 0.00 C ATOM 1600 O PHE A 101 -5.893 7.529 -6.854 1.00 0.00 O ATOM 1601 CB PHE A 101 -3.030 8.265 -7.594 1.00 0.00 C ATOM 1602 CG PHE A 101 -1.912 7.951 -8.563 1.00 0.00 C ATOM 1603 CD1 PHE A 101 -1.541 8.887 -9.536 1.00 0.00 C ATOM 1604 CD2 PHE A 101 -1.242 6.723 -8.484 1.00 0.00 C ATOM 1605 CE1 PHE A 101 -0.502 8.597 -10.428 1.00 0.00 C ATOM 1606 CE2 PHE A 101 -0.204 6.432 -9.378 1.00 0.00 C ATOM 1607 CZ PHE A 101 0.166 7.370 -10.350 1.00 0.00 C ATOM 0 H PHE A 101 -3.635 10.568 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.527 7.789 -9.117 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.763 9.130 -6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.175 7.428 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.057 9.834 -9.598 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.526 6.000 -7.733 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.216 9.321 -11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.311 5.485 -9.318 1.00 0.00 H new ATOM 0 HZ PHE A 101 0.967 7.146 -11.039 1.00 0.00 H new ATOM 1617 N GLU A 102 -6.100 9.694 -7.170 1.00 0.00 N ATOM 1618 CA GLU A 102 -7.258 9.768 -6.232 1.00 0.00 C ATOM 1619 C GLU A 102 -8.578 9.575 -6.984 1.00 0.00 C ATOM 1620 O GLU A 102 -8.902 10.313 -7.893 1.00 0.00 O ATOM 1621 CB GLU A 102 -7.184 11.171 -5.629 1.00 0.00 C ATOM 1622 CG GLU A 102 -5.808 11.382 -4.998 1.00 0.00 C ATOM 1623 CD GLU A 102 -5.398 12.847 -5.149 1.00 0.00 C ATOM 1624 OE1 GLU A 102 -6.125 13.698 -4.665 1.00 0.00 O ATOM 1625 OE2 GLU A 102 -4.364 13.094 -5.748 1.00 0.00 O ATOM 0 H GLU A 102 -5.828 10.581 -7.594 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.219 8.989 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -7.361 11.920 -6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.964 11.297 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.834 11.107 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.073 10.736 -5.478 1.00 0.00 H new ATOM 1632 N GLU A 103 -9.344 8.589 -6.602 1.00 0.00 N ATOM 1633 CA GLU A 103 -10.649 8.344 -7.281 1.00 0.00 C ATOM 1634 C GLU A 103 -11.795 8.873 -6.417 1.00 0.00 C ATOM 1635 O GLU A 103 -11.758 8.791 -5.205 1.00 0.00 O ATOM 1636 CB GLU A 103 -10.742 6.825 -7.420 1.00 0.00 C ATOM 1637 CG GLU A 103 -11.276 6.473 -8.808 1.00 0.00 C ATOM 1638 CD GLU A 103 -10.104 6.292 -9.775 1.00 0.00 C ATOM 1639 OE1 GLU A 103 -8.975 6.447 -9.340 1.00 0.00 O ATOM 1640 OE2 GLU A 103 -10.356 5.999 -10.931 1.00 0.00 O ATOM 0 H GLU A 103 -9.121 7.941 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.716 8.846 -8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.761 6.375 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.399 6.418 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.867 5.558 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.938 7.262 -9.166 1.00 0.00 H new ATOM 1647 N VAL A 104 -12.813 9.418 -7.024 1.00 0.00 N ATOM 1648 CA VAL A 104 -13.952 9.952 -6.222 1.00 0.00 C ATOM 1649 C VAL A 104 -14.758 8.807 -5.613 1.00 0.00 C ATOM 1650 O VAL A 104 -15.090 7.844 -6.275 1.00 0.00 O ATOM 1651 CB VAL A 104 -14.815 10.734 -7.210 1.00 0.00 C ATOM 1652 CG1 VAL A 104 -13.926 11.630 -8.067 1.00 0.00 C ATOM 1653 CG2 VAL A 104 -15.575 9.757 -8.109 1.00 0.00 C ATOM 0 H VAL A 104 -12.906 9.517 -8.035 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.607 10.577 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.527 11.350 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -14.543 12.188 -8.772 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.387 12.327 -7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.212 11.016 -8.616 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.191 10.315 -8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.864 9.139 -8.658 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.212 9.119 -7.496 1.00 0.00 H new ATOM 1663 N LEU A 105 -15.084 8.913 -4.360 1.00 0.00 N ATOM 1664 CA LEU A 105 -15.884 7.843 -3.706 1.00 0.00 C ATOM 1665 C LEU A 105 -17.369 8.094 -3.970 1.00 0.00 C ATOM 1666 O LEU A 105 -18.196 7.221 -3.799 1.00 0.00 O ATOM 1667 CB LEU A 105 -15.568 7.981 -2.214 1.00 0.00 C ATOM 1668 CG LEU A 105 -14.215 7.328 -1.894 1.00 0.00 C ATOM 1669 CD1 LEU A 105 -13.206 7.621 -3.010 1.00 0.00 C ATOM 1670 CD2 LEU A 105 -13.681 7.895 -0.577 1.00 0.00 C ATOM 0 H LEU A 105 -14.831 9.696 -3.757 1.00 0.00 H new ATOM 0 HA LEU A 105 -15.651 6.845 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -15.546 9.035 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.355 7.512 -1.624 1.00 0.00 H new ATOM 0 HG LEU A 105 -14.353 6.250 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -12.252 7.152 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -13.580 7.221 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -13.068 8.698 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -12.721 7.434 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.553 8.973 -0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.388 7.682 0.224 1.00 0.00 H new ATOM 1682 N ASP A 106 -17.699 9.290 -4.394 1.00 0.00 N ATOM 1683 CA ASP A 106 -19.124 9.646 -4.684 1.00 0.00 C ATOM 1684 C ASP A 106 -19.276 11.168 -4.690 1.00 0.00 C ATOM 1685 O ASP A 106 -18.307 11.898 -4.735 1.00 0.00 O ATOM 1686 CB ASP A 106 -19.957 9.049 -3.543 1.00 0.00 C ATOM 1687 CG ASP A 106 -19.225 9.245 -2.212 1.00 0.00 C ATOM 1688 OD1 ASP A 106 -18.407 10.146 -2.136 1.00 0.00 O ATOM 1689 OD2 ASP A 106 -19.497 8.491 -1.292 1.00 0.00 O ATOM 0 H ASP A 106 -17.032 10.045 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 106 -19.445 9.264 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.935 9.528 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -20.129 7.988 -3.722 1.00 0.00 H new ATOM 1694 N LEU A 107 -20.484 11.651 -4.630 1.00 0.00 N ATOM 1695 CA LEU A 107 -20.695 13.126 -4.614 1.00 0.00 C ATOM 1696 C LEU A 107 -21.488 13.511 -3.364 1.00 0.00 C ATOM 1697 O LEU A 107 -22.658 13.207 -3.242 1.00 0.00 O ATOM 1698 CB LEU A 107 -21.487 13.435 -5.884 1.00 0.00 C ATOM 1699 CG LEU A 107 -20.581 13.246 -7.102 1.00 0.00 C ATOM 1700 CD1 LEU A 107 -20.870 11.890 -7.750 1.00 0.00 C ATOM 1701 CD2 LEU A 107 -20.849 14.362 -8.116 1.00 0.00 C ATOM 0 H LEU A 107 -21.335 11.090 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.760 13.686 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -22.354 12.778 -5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -21.864 14.457 -5.852 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.538 13.283 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -20.224 11.756 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -20.679 11.094 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -21.913 11.852 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -20.204 14.228 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.892 14.325 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -20.642 15.329 -7.656 1.00 0.00 H new ATOM 1713 N VAL A 108 -20.858 14.165 -2.429 1.00 0.00 N ATOM 1714 CA VAL A 108 -21.574 14.552 -1.180 1.00 0.00 C ATOM 1715 C VAL A 108 -22.065 15.996 -1.271 1.00 0.00 C ATOM 1716 O VAL A 108 -21.598 16.770 -2.080 1.00 0.00 O ATOM 1717 CB VAL A 108 -20.534 14.407 -0.070 1.00 0.00 C ATOM 1718 CG1 VAL A 108 -19.444 15.467 -0.244 1.00 0.00 C ATOM 1719 CG2 VAL A 108 -21.210 14.594 1.290 1.00 0.00 C ATOM 0 H VAL A 108 -19.879 14.448 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 108 -22.453 13.933 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 108 -20.087 13.414 -0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -18.704 15.361 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -18.960 15.336 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.891 16.460 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -20.468 14.491 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.659 15.586 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -21.985 13.839 1.418 1.00 0.00 H new ATOM 1729 N ASP A 109 -23.005 16.364 -0.445 1.00 0.00 N ATOM 1730 CA ASP A 109 -23.521 17.761 -0.482 1.00 0.00 C ATOM 1731 C ASP A 109 -22.965 18.553 0.707 1.00 0.00 C ATOM 1732 O ASP A 109 -22.996 18.099 1.834 1.00 0.00 O ATOM 1733 CB ASP A 109 -25.041 17.628 -0.381 1.00 0.00 C ATOM 1734 CG ASP A 109 -25.422 17.177 1.031 1.00 0.00 C ATOM 1735 OD1 ASP A 109 -24.936 16.141 1.451 1.00 0.00 O ATOM 1736 OD2 ASP A 109 -26.194 17.876 1.665 1.00 0.00 O ATOM 0 H ASP A 109 -23.438 15.759 0.253 1.00 0.00 H new ATOM 0 HA ASP A 109 -23.224 18.291 -1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -25.516 18.582 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -25.403 16.907 -1.114 1.00 0.00 H new ATOM 1741 N ALA A 110 -22.452 19.729 0.459 1.00 0.00 N ATOM 1742 CA ALA A 110 -21.884 20.555 1.569 1.00 0.00 C ATOM 1743 C ALA A 110 -22.732 20.425 2.837 1.00 0.00 C ATOM 1744 O ALA A 110 -23.931 20.239 2.780 1.00 0.00 O ATOM 1745 CB ALA A 110 -21.925 21.993 1.052 1.00 0.00 C ATOM 0 H ALA A 110 -22.401 20.156 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 110 -20.876 20.236 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -21.524 22.664 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -21.325 22.071 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -22.955 22.271 0.831 1.00 0.00 H new ATOM 1751 N VAL A 111 -22.114 20.525 3.984 1.00 0.00 N ATOM 1752 CA VAL A 111 -22.879 20.412 5.259 1.00 0.00 C ATOM 1753 C VAL A 111 -22.513 21.569 6.192 1.00 0.00 C ATOM 1754 O VAL A 111 -21.727 21.416 7.106 1.00 0.00 O ATOM 1755 CB VAL A 111 -22.444 19.076 5.865 1.00 0.00 C ATOM 1756 CG1 VAL A 111 -20.918 18.973 5.829 1.00 0.00 C ATOM 1757 CG2 VAL A 111 -22.924 18.994 7.315 1.00 0.00 C ATOM 0 H VAL A 111 -21.112 20.680 4.092 1.00 0.00 H new ATOM 0 HA VAL A 111 -23.957 20.455 5.102 1.00 0.00 H new ATOM 0 HB VAL A 111 -22.878 18.258 5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -20.607 18.022 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -20.574 19.033 4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -20.484 19.791 6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -22.615 18.043 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -22.489 19.812 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -24.011 19.069 7.343 1.00 0.00 H new ATOM 1767 N ILE A 112 -23.077 22.725 5.970 1.00 0.00 N ATOM 1768 CA ILE A 112 -22.758 23.887 6.846 1.00 0.00 C ATOM 1769 C ILE A 112 -23.138 23.573 8.295 1.00 0.00 C ATOM 1770 O ILE A 112 -23.881 22.650 8.565 1.00 0.00 O ATOM 1771 CB ILE A 112 -23.605 25.039 6.304 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -25.080 24.778 6.619 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -23.419 25.142 4.790 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -25.632 25.927 7.465 1.00 0.00 C ATOM 0 H ILE A 112 -23.743 22.914 5.221 1.00 0.00 H new ATOM 0 HA ILE A 112 -21.695 24.129 6.842 1.00 0.00 H new ATOM 0 HB ILE A 112 -23.291 25.972 6.772 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -25.650 24.687 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -25.187 23.834 7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -24.023 25.963 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -22.369 25.327 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -23.732 24.210 4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -26.682 25.742 7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -25.069 25.997 8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -25.539 26.862 6.913 1.00 0.00 H new ATOM 1786 N LEU A 113 -22.634 24.331 9.230 1.00 0.00 N ATOM 1787 CA LEU A 113 -22.967 24.074 10.661 1.00 0.00 C ATOM 1788 C LEU A 113 -22.908 25.380 11.456 1.00 0.00 C ATOM 1789 O LEU A 113 -23.962 25.877 11.820 1.00 0.00 O ATOM 1790 CB LEU A 113 -21.894 23.099 11.148 1.00 0.00 C ATOM 1791 CG LEU A 113 -22.273 22.565 12.530 1.00 0.00 C ATOM 1792 CD1 LEU A 113 -22.106 23.671 13.575 1.00 0.00 C ATOM 1793 CD2 LEU A 113 -23.731 22.098 12.511 1.00 0.00 C ATOM 1794 OXT LEU A 113 -21.812 25.860 11.686 1.00 0.00 O ATOM 0 H LEU A 113 -22.006 25.118 9.065 1.00 0.00 H new ATOM 0 HA LEU A 113 -23.971 23.669 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -21.792 22.273 10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -20.927 23.600 11.194 1.00 0.00 H new ATOM 0 HG LEU A 113 -21.623 21.728 12.785 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -22.377 23.286 14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -21.068 24.004 13.589 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -22.754 24.511 13.323 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -24.004 21.717 13.495 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -24.378 22.937 12.254 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -23.850 21.308 11.770 1.00 0.00 H new TER 1806 LEU A 113