USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.127 (180deg=-1.62!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-7.3!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.185 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot -150:sc= -0.308 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -3.09! C(o=-6!,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 44 SER OG : rot 160:sc= 1.09 USER MOD Single : A 46 HIS : no HD1:sc= -4.7! C(o=-4.7!,f=-4.3!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 175:sc= 0 (180deg=-0.00943) USER MOD Single : A 50 THR OG1 : rot -109:sc= -3.66 USER MOD Single : A 54 THR OG1 : rot 97:sc= -0.887 USER MOD Single : A 56 LYS NZ :NH3+ -156:sc= -0.58 (180deg=-2.36!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= -3.94! USER MOD Single : A 61 THR OG1 : rot 52:sc= 0.11 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.616 -19.774 -22.511 1.00 0.00 N ATOM 2 CA MET A 1 -15.904 -18.569 -21.999 1.00 0.00 C ATOM 3 C MET A 1 -16.192 -17.383 -22.914 1.00 0.00 C ATOM 4 O MET A 1 -15.332 -16.958 -23.685 1.00 0.00 O ATOM 5 CB MET A 1 -14.399 -18.849 -21.964 1.00 0.00 C ATOM 6 CG MET A 1 -14.072 -19.725 -20.754 1.00 0.00 C ATOM 7 SD MET A 1 -13.889 -18.682 -19.286 1.00 0.00 S ATOM 8 CE MET A 1 -13.582 -20.014 -18.100 1.00 0.00 C ATOM 0 H1 MET A 1 -17.135 -20.228 -21.732 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.286 -19.492 -23.255 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.925 -20.445 -22.904 1.00 0.00 H new ATOM 0 HA MET A 1 -16.250 -18.335 -20.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.090 -19.348 -22.882 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.845 -17.912 -21.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.864 -20.457 -20.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.153 -20.283 -20.933 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.437 -19.590 -17.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.436 -20.692 -18.085 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.688 -20.564 -18.394 1.00 0.00 H new ATOM 20 N PRO A 2 -17.382 -16.851 -22.842 1.00 0.00 N ATOM 21 CA PRO A 2 -17.801 -15.690 -23.681 1.00 0.00 C ATOM 22 C PRO A 2 -17.178 -14.379 -23.204 1.00 0.00 C ATOM 23 O PRO A 2 -16.950 -14.186 -22.010 1.00 0.00 O ATOM 24 CB PRO A 2 -19.322 -15.659 -23.523 1.00 0.00 C ATOM 25 CG PRO A 2 -19.600 -16.308 -22.207 1.00 0.00 C ATOM 26 CD PRO A 2 -18.462 -17.300 -21.950 1.00 0.00 C ATOM 0 HA PRO A 2 -17.477 -15.796 -24.716 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.698 -14.636 -23.543 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -19.812 -16.195 -24.336 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.650 -15.564 -21.412 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.562 -16.820 -22.225 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.148 -17.284 -20.906 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.766 -18.322 -22.176 1.00 0.00 H new ATOM 34 N LYS A 3 -16.908 -13.481 -24.147 1.00 0.00 N ATOM 35 CA LYS A 3 -16.314 -12.191 -23.815 1.00 0.00 C ATOM 36 C LYS A 3 -17.372 -11.091 -23.824 1.00 0.00 C ATOM 37 O LYS A 3 -18.337 -11.151 -24.586 1.00 0.00 O ATOM 38 CB LYS A 3 -15.211 -11.848 -24.820 1.00 0.00 C ATOM 39 CG LYS A 3 -15.622 -12.326 -26.214 1.00 0.00 C ATOM 40 CD LYS A 3 -14.841 -11.548 -27.274 1.00 0.00 C ATOM 41 CE LYS A 3 -13.374 -11.985 -27.251 1.00 0.00 C ATOM 42 NZ LYS A 3 -12.785 -11.818 -28.609 1.00 0.00 N ATOM 0 H LYS A 3 -17.090 -13.622 -25.141 1.00 0.00 H new ATOM 0 HA LYS A 3 -15.887 -12.259 -22.815 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.036 -10.772 -24.830 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.275 -12.321 -24.523 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.428 -13.394 -26.315 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.693 -12.182 -26.358 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.269 -11.727 -28.260 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.916 -10.477 -27.083 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.818 -11.391 -26.526 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.298 -13.026 -26.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.788 -12.115 -28.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.310 -12.403 -29.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.845 -10.819 -28.893 1.00 0.00 H new ATOM 56 N HIS A 4 -17.182 -10.089 -22.973 1.00 0.00 N ATOM 57 CA HIS A 4 -18.127 -8.980 -22.890 1.00 0.00 C ATOM 58 C HIS A 4 -17.467 -7.683 -23.349 1.00 0.00 C ATOM 59 O HIS A 4 -16.410 -7.302 -22.844 1.00 0.00 O ATOM 60 CB HIS A 4 -18.622 -8.826 -21.449 1.00 0.00 C ATOM 61 CG HIS A 4 -19.848 -7.952 -21.419 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.193 -7.205 -20.305 1.00 0.00 N ATOM 63 CD2 HIS A 4 -20.823 -7.700 -22.355 1.00 0.00 C ATOM 64 CE1 HIS A 4 -21.329 -6.544 -20.593 1.00 0.00 C ATOM 65 NE2 HIS A 4 -21.757 -6.810 -21.830 1.00 0.00 N ATOM 0 H HIS A 4 -16.389 -10.021 -22.335 1.00 0.00 H new ATOM 0 HA HIS A 4 -18.974 -9.193 -23.543 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.852 -9.805 -21.028 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -17.838 -8.389 -20.831 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.859 -8.127 -23.346 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.833 -5.879 -19.907 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.589 -6.441 -22.291 1.00 0.00 H new ATOM 73 N GLU A 5 -18.094 -7.009 -24.308 1.00 0.00 N ATOM 74 CA GLU A 5 -17.552 -5.758 -24.827 1.00 0.00 C ATOM 75 C GLU A 5 -18.450 -4.585 -24.454 1.00 0.00 C ATOM 76 O GLU A 5 -19.666 -4.637 -24.636 1.00 0.00 O ATOM 77 CB GLU A 5 -17.420 -5.839 -26.349 1.00 0.00 C ATOM 78 CG GLU A 5 -17.138 -7.285 -26.760 1.00 0.00 C ATOM 79 CD GLU A 5 -18.447 -8.063 -26.860 1.00 0.00 C ATOM 80 OE1 GLU A 5 -19.406 -7.506 -27.367 1.00 0.00 O ATOM 81 OE2 GLU A 5 -18.469 -9.204 -26.429 1.00 0.00 O ATOM 0 H GLU A 5 -18.970 -7.305 -24.738 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.569 -5.600 -24.384 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -18.336 -5.487 -26.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.614 -5.189 -26.690 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.619 -7.305 -27.718 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.479 -7.757 -26.031 1.00 0.00 H new ATOM 88 N PHE A 6 -17.841 -3.524 -23.933 1.00 0.00 N ATOM 89 CA PHE A 6 -18.595 -2.341 -23.540 1.00 0.00 C ATOM 90 C PHE A 6 -17.874 -1.071 -23.980 1.00 0.00 C ATOM 91 O PHE A 6 -16.644 -1.015 -23.996 1.00 0.00 O ATOM 92 CB PHE A 6 -18.804 -2.329 -22.021 1.00 0.00 C ATOM 93 CG PHE A 6 -17.517 -1.973 -21.314 1.00 0.00 C ATOM 94 CD1 PHE A 6 -17.036 -0.658 -21.342 1.00 0.00 C ATOM 95 CD2 PHE A 6 -16.811 -2.961 -20.618 1.00 0.00 C ATOM 96 CE1 PHE A 6 -15.849 -0.334 -20.674 1.00 0.00 C ATOM 97 CE2 PHE A 6 -15.625 -2.637 -19.951 1.00 0.00 C ATOM 98 CZ PHE A 6 -15.144 -1.324 -19.978 1.00 0.00 C ATOM 0 H PHE A 6 -16.835 -3.460 -23.775 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.567 -2.373 -24.032 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -19.580 -1.610 -21.760 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -19.151 -3.307 -21.688 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -17.580 0.105 -21.878 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -17.182 -3.975 -20.596 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -15.477 0.680 -20.695 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -15.081 -3.401 -19.415 1.00 0.00 H new ATOM 0 HZ PHE A 6 -14.229 -1.073 -19.462 1.00 0.00 H new ATOM 108 N SER A 7 -18.653 -0.053 -24.333 1.00 0.00 N ATOM 109 CA SER A 7 -18.086 1.216 -24.770 1.00 0.00 C ATOM 110 C SER A 7 -18.252 2.269 -23.680 1.00 0.00 C ATOM 111 O SER A 7 -19.368 2.563 -23.253 1.00 0.00 O ATOM 112 CB SER A 7 -18.780 1.687 -26.049 1.00 0.00 C ATOM 113 OG SER A 7 -19.706 2.716 -25.729 1.00 0.00 O ATOM 0 H SER A 7 -19.673 -0.082 -24.325 1.00 0.00 H new ATOM 0 HA SER A 7 -17.024 1.074 -24.969 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.042 2.055 -26.762 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.296 0.853 -26.525 1.00 0.00 H new ATOM 0 HG SER A 7 -20.151 3.021 -26.547 1.00 0.00 H new ATOM 119 N VAL A 8 -17.135 2.826 -23.228 1.00 0.00 N ATOM 120 CA VAL A 8 -17.170 3.837 -22.179 1.00 0.00 C ATOM 121 C VAL A 8 -16.355 5.062 -22.571 1.00 0.00 C ATOM 122 O VAL A 8 -15.238 4.941 -23.076 1.00 0.00 O ATOM 123 CB VAL A 8 -16.600 3.255 -20.885 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.081 3.120 -21.019 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.925 4.193 -19.720 1.00 0.00 C ATOM 0 H VAL A 8 -16.201 2.597 -23.568 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.208 4.137 -22.033 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.040 2.276 -20.698 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.670 2.705 -20.099 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.847 2.457 -21.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.643 4.101 -21.202 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.520 3.780 -18.796 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.481 5.171 -19.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.006 4.297 -19.627 1.00 0.00 H new ATOM 135 N ASP A 9 -16.906 6.242 -22.312 1.00 0.00 N ATOM 136 CA ASP A 9 -16.201 7.478 -22.620 1.00 0.00 C ATOM 137 C ASP A 9 -15.219 7.783 -21.496 1.00 0.00 C ATOM 138 O ASP A 9 -15.623 8.044 -20.363 1.00 0.00 O ATOM 139 CB ASP A 9 -17.195 8.632 -22.772 1.00 0.00 C ATOM 140 CG ASP A 9 -17.029 9.286 -24.140 1.00 0.00 C ATOM 141 OD1 ASP A 9 -16.781 8.565 -25.093 1.00 0.00 O ATOM 142 OD2 ASP A 9 -17.152 10.497 -24.215 1.00 0.00 O ATOM 0 H ASP A 9 -17.828 6.368 -21.894 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.661 7.362 -23.559 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.214 8.263 -22.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.033 9.369 -21.985 1.00 0.00 H new ATOM 147 N MET A 10 -13.929 7.727 -21.804 1.00 0.00 N ATOM 148 CA MET A 10 -12.911 7.979 -20.793 1.00 0.00 C ATOM 149 C MET A 10 -12.955 9.431 -20.326 1.00 0.00 C ATOM 150 O MET A 10 -12.713 10.355 -21.103 1.00 0.00 O ATOM 151 CB MET A 10 -11.526 7.660 -21.359 1.00 0.00 C ATOM 152 CG MET A 10 -11.185 8.649 -22.474 1.00 0.00 C ATOM 153 SD MET A 10 -10.039 9.900 -21.844 1.00 0.00 S ATOM 154 CE MET A 10 -10.218 11.077 -23.208 1.00 0.00 C ATOM 0 H MET A 10 -13.567 7.512 -22.733 1.00 0.00 H new ATOM 0 HA MET A 10 -13.112 7.335 -19.937 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.778 7.716 -20.568 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.506 6.641 -21.745 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.737 8.122 -23.317 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.094 9.126 -22.842 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.585 11.946 -23.024 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.918 10.601 -24.141 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.258 11.395 -23.280 1.00 0.00 H new ATOM 164 N THR A 11 -13.256 9.619 -19.045 1.00 0.00 N ATOM 165 CA THR A 11 -13.317 10.957 -18.471 1.00 0.00 C ATOM 166 C THR A 11 -12.148 11.163 -17.514 1.00 0.00 C ATOM 167 O THR A 11 -11.526 12.224 -17.492 1.00 0.00 O ATOM 168 CB THR A 11 -14.640 11.157 -17.724 1.00 0.00 C ATOM 169 OG1 THR A 11 -14.507 12.237 -16.811 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.999 9.882 -16.961 1.00 0.00 C ATOM 0 H THR A 11 -13.460 8.866 -18.388 1.00 0.00 H new ATOM 0 HA THR A 11 -13.256 11.687 -19.278 1.00 0.00 H new ATOM 0 HB THR A 11 -15.430 11.381 -18.440 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.353 12.368 -16.333 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.940 10.028 -16.431 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.102 9.055 -17.663 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.211 9.653 -16.244 1.00 0.00 H new ATOM 178 N CYS A 12 -11.857 10.131 -16.727 1.00 0.00 N ATOM 179 CA CYS A 12 -10.759 10.191 -15.771 1.00 0.00 C ATOM 180 C CYS A 12 -9.573 9.376 -16.272 1.00 0.00 C ATOM 181 O CYS A 12 -8.804 8.841 -15.478 1.00 0.00 O ATOM 182 CB CYS A 12 -11.220 9.649 -14.418 1.00 0.00 C ATOM 183 SG CYS A 12 -11.995 10.978 -13.464 1.00 0.00 S ATOM 0 H CYS A 12 -12.365 9.247 -16.733 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.450 11.230 -15.660 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.927 8.832 -14.564 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.371 9.241 -13.870 1.00 0.00 H new ATOM 0 HG CYS A 12 -11.817 10.762 -12.195 1.00 0.00 H new ATOM 189 N GLY A 13 -9.437 9.288 -17.595 1.00 0.00 N ATOM 190 CA GLY A 13 -8.343 8.534 -18.204 1.00 0.00 C ATOM 191 C GLY A 13 -7.224 8.279 -17.200 1.00 0.00 C ATOM 192 O GLY A 13 -6.780 7.144 -17.024 1.00 0.00 O ATOM 0 H GLY A 13 -10.069 9.728 -18.263 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.719 7.584 -18.583 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.950 9.084 -19.059 1.00 0.00 H new ATOM 196 N GLY A 14 -6.778 9.341 -16.539 1.00 0.00 N ATOM 197 CA GLY A 14 -5.717 9.222 -15.547 1.00 0.00 C ATOM 198 C GLY A 14 -6.172 8.369 -14.370 1.00 0.00 C ATOM 199 O GLY A 14 -5.501 7.408 -13.990 1.00 0.00 O ATOM 0 H GLY A 14 -7.132 10.288 -16.671 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.833 8.777 -16.004 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.429 10.213 -15.195 1.00 0.00 H new ATOM 203 N CYS A 15 -7.319 8.725 -13.799 1.00 0.00 N ATOM 204 CA CYS A 15 -7.863 7.985 -12.665 1.00 0.00 C ATOM 205 C CYS A 15 -8.688 6.792 -13.144 1.00 0.00 C ATOM 206 O CYS A 15 -8.564 5.689 -12.612 1.00 0.00 O ATOM 207 CB CYS A 15 -8.736 8.907 -11.811 1.00 0.00 C ATOM 208 SG CYS A 15 -8.124 8.904 -10.108 1.00 0.00 S ATOM 0 H CYS A 15 -7.887 9.517 -14.101 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.032 7.615 -12.065 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.718 9.920 -12.214 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -9.773 8.572 -11.837 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.862 9.688 -9.380 1.00 0.00 H new ATOM 214 N ALA A 16 -9.528 7.015 -14.154 1.00 0.00 N ATOM 215 CA ALA A 16 -10.357 5.939 -14.687 1.00 0.00 C ATOM 216 C ALA A 16 -9.491 4.750 -15.091 1.00 0.00 C ATOM 217 O ALA A 16 -9.917 3.599 -14.992 1.00 0.00 O ATOM 218 CB ALA A 16 -11.145 6.432 -15.902 1.00 0.00 C ATOM 0 H ALA A 16 -9.651 7.918 -14.613 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.053 5.625 -13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.760 5.620 -16.291 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.786 7.263 -15.607 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.452 6.764 -16.675 1.00 0.00 H new ATOM 224 N GLU A 17 -8.274 5.034 -15.545 1.00 0.00 N ATOM 225 CA GLU A 17 -7.359 3.975 -15.959 1.00 0.00 C ATOM 226 C GLU A 17 -7.024 3.069 -14.779 1.00 0.00 C ATOM 227 O GLU A 17 -7.041 1.844 -14.901 1.00 0.00 O ATOM 228 CB GLU A 17 -6.073 4.586 -16.520 1.00 0.00 C ATOM 229 CG GLU A 17 -4.937 3.566 -16.420 1.00 0.00 C ATOM 230 CD GLU A 17 -4.234 3.698 -15.072 1.00 0.00 C ATOM 231 OE1 GLU A 17 -4.108 4.815 -14.598 1.00 0.00 O ATOM 232 OE2 GLU A 17 -3.833 2.679 -14.535 1.00 0.00 O ATOM 0 H GLU A 17 -7.901 5.979 -15.635 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.844 3.380 -16.733 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.221 4.881 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.815 5.489 -15.966 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.332 2.557 -16.536 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.223 3.724 -17.229 1.00 0.00 H new ATOM 239 N ALA A 18 -6.728 3.678 -13.635 1.00 0.00 N ATOM 240 CA ALA A 18 -6.400 2.914 -12.437 1.00 0.00 C ATOM 241 C ALA A 18 -7.649 2.222 -11.903 1.00 0.00 C ATOM 242 O ALA A 18 -7.572 1.159 -11.288 1.00 0.00 O ATOM 243 CB ALA A 18 -5.826 3.841 -11.364 1.00 0.00 C ATOM 0 H ALA A 18 -6.709 4.690 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.655 2.161 -12.693 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.584 3.261 -10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.922 4.319 -11.742 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.562 4.604 -11.111 1.00 0.00 H new ATOM 249 N VAL A 19 -8.800 2.837 -12.153 1.00 0.00 N ATOM 250 CA VAL A 19 -10.071 2.281 -11.708 1.00 0.00 C ATOM 251 C VAL A 19 -10.319 0.930 -12.373 1.00 0.00 C ATOM 252 O VAL A 19 -10.857 0.009 -11.757 1.00 0.00 O ATOM 253 CB VAL A 19 -11.208 3.242 -12.055 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.550 2.529 -11.881 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.156 4.458 -11.124 1.00 0.00 C ATOM 0 H VAL A 19 -8.878 3.718 -12.660 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.033 2.141 -10.628 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.099 3.570 -13.089 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.361 3.214 -12.128 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.591 1.664 -12.543 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.656 2.200 -10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.967 5.142 -11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.263 4.130 -10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.201 4.969 -11.246 1.00 0.00 H new ATOM 265 N SER A 20 -9.926 0.826 -13.637 1.00 0.00 N ATOM 266 CA SER A 20 -10.112 -0.408 -14.396 1.00 0.00 C ATOM 267 C SER A 20 -9.436 -1.587 -13.698 1.00 0.00 C ATOM 268 O SER A 20 -9.949 -2.705 -13.717 1.00 0.00 O ATOM 269 CB SER A 20 -9.531 -0.246 -15.802 1.00 0.00 C ATOM 270 OG SER A 20 -10.351 0.645 -16.548 1.00 0.00 O ATOM 0 H SER A 20 -9.477 1.579 -14.159 1.00 0.00 H new ATOM 0 HA SER A 20 -11.181 -0.610 -14.461 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.513 0.139 -15.745 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.478 -1.214 -16.300 1.00 0.00 H new ATOM 0 HG SER A 20 -9.981 0.753 -17.449 1.00 0.00 H new ATOM 276 N ARG A 21 -8.290 -1.332 -13.075 1.00 0.00 N ATOM 277 CA ARG A 21 -7.567 -2.385 -12.369 1.00 0.00 C ATOM 278 C ARG A 21 -8.464 -3.019 -11.307 1.00 0.00 C ATOM 279 O ARG A 21 -8.448 -4.233 -11.105 1.00 0.00 O ATOM 280 CB ARG A 21 -6.310 -1.810 -11.713 1.00 0.00 C ATOM 281 CG ARG A 21 -5.253 -1.541 -12.788 1.00 0.00 C ATOM 282 CD ARG A 21 -4.008 -0.931 -12.143 1.00 0.00 C ATOM 283 NE ARG A 21 -2.817 -1.662 -12.562 1.00 0.00 N ATOM 284 CZ ARG A 21 -1.704 -1.637 -11.836 1.00 0.00 C ATOM 285 NH1 ARG A 21 -1.656 -0.936 -10.737 1.00 0.00 N ATOM 286 NH2 ARG A 21 -0.657 -2.311 -12.227 1.00 0.00 N ATOM 0 H ARG A 21 -7.845 -0.415 -13.044 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.274 -3.151 -13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.551 -0.887 -11.186 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.921 -2.508 -10.972 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.993 -2.469 -13.297 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.652 -0.864 -13.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.919 0.118 -12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.100 -0.961 -11.057 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.839 -2.202 -13.427 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.473 -0.406 -10.434 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.801 -0.918 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.694 -2.856 -13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.198 -2.293 -11.671 1.00 0.00 H new ATOM 300 N VAL A 22 -9.246 -2.180 -10.638 1.00 0.00 N ATOM 301 CA VAL A 22 -10.157 -2.645 -9.597 1.00 0.00 C ATOM 302 C VAL A 22 -11.116 -3.694 -10.151 1.00 0.00 C ATOM 303 O VAL A 22 -11.721 -4.456 -9.398 1.00 0.00 O ATOM 304 CB VAL A 22 -10.962 -1.467 -9.043 1.00 0.00 C ATOM 305 CG1 VAL A 22 -11.566 -1.848 -7.691 1.00 0.00 C ATOM 306 CG2 VAL A 22 -10.043 -0.258 -8.863 1.00 0.00 C ATOM 0 H VAL A 22 -9.268 -1.173 -10.798 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.565 -3.092 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.761 -1.218 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.139 -1.008 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.223 -2.708 -7.816 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.767 -2.100 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.617 0.580 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.243 -0.509 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.613 0.018 -9.826 1.00 0.00 H new ATOM 316 N LEU A 23 -11.257 -3.719 -11.472 1.00 0.00 N ATOM 317 CA LEU A 23 -12.154 -4.668 -12.119 1.00 0.00 C ATOM 318 C LEU A 23 -11.753 -6.101 -11.786 1.00 0.00 C ATOM 319 O LEU A 23 -12.607 -6.977 -11.656 1.00 0.00 O ATOM 320 CB LEU A 23 -12.119 -4.471 -13.638 1.00 0.00 C ATOM 321 CG LEU A 23 -13.318 -5.168 -14.282 1.00 0.00 C ATOM 322 CD1 LEU A 23 -13.906 -4.266 -15.369 1.00 0.00 C ATOM 323 CD2 LEU A 23 -12.862 -6.486 -14.909 1.00 0.00 C ATOM 0 H LEU A 23 -10.764 -3.096 -12.112 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.164 -4.489 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.135 -3.407 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.192 -4.875 -14.044 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.075 -5.367 -13.523 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.761 -4.761 -15.829 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.228 -3.324 -14.925 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.149 -4.070 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.715 -6.985 -15.369 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.106 -6.285 -15.669 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.439 -7.129 -14.137 1.00 0.00 H new ATOM 335 N ASN A 24 -10.455 -6.334 -11.647 1.00 0.00 N ATOM 336 CA ASN A 24 -9.965 -7.668 -11.327 1.00 0.00 C ATOM 337 C ASN A 24 -10.640 -8.201 -10.066 1.00 0.00 C ATOM 338 O ASN A 24 -10.894 -9.399 -9.944 1.00 0.00 O ATOM 339 CB ASN A 24 -8.449 -7.628 -11.119 1.00 0.00 C ATOM 340 CG ASN A 24 -7.817 -6.634 -12.087 1.00 0.00 C ATOM 341 OD1 ASN A 24 -8.479 -6.257 -13.146 1.00 0.00 O flip ATOM 342 ND2 ASN A 24 -6.689 -6.189 -11.873 1.00 0.00 N flip ATOM 0 H ASN A 24 -9.729 -5.625 -11.749 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.202 -8.332 -12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.222 -7.343 -10.092 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.026 -8.620 -11.275 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.173 -6.485 -11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.271 -5.525 -12.524 1.00 0.00 H new ATOM 349 N LYS A 25 -10.925 -7.302 -9.127 1.00 0.00 N ATOM 350 CA LYS A 25 -11.567 -7.695 -7.876 1.00 0.00 C ATOM 351 C LYS A 25 -13.003 -8.160 -8.117 1.00 0.00 C ATOM 352 O LYS A 25 -13.427 -9.183 -7.581 1.00 0.00 O ATOM 353 CB LYS A 25 -11.563 -6.518 -6.898 1.00 0.00 C ATOM 354 CG LYS A 25 -10.121 -6.061 -6.659 1.00 0.00 C ATOM 355 CD LYS A 25 -10.046 -5.246 -5.366 1.00 0.00 C ATOM 356 CE LYS A 25 -9.085 -4.070 -5.559 1.00 0.00 C ATOM 357 NZ LYS A 25 -9.049 -3.250 -4.316 1.00 0.00 N ATOM 0 H LYS A 25 -10.724 -6.305 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.004 -8.526 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.155 -5.695 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.024 -6.813 -5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.461 -6.926 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.776 -5.460 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.037 -4.880 -5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.705 -5.877 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.086 -4.437 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.406 -3.458 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.396 -2.451 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.002 -2.889 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.723 -3.837 -3.522 1.00 0.00 H new ATOM 371 N LEU A 26 -13.746 -7.408 -8.925 1.00 0.00 N ATOM 372 CA LEU A 26 -15.127 -7.762 -9.221 1.00 0.00 C ATOM 373 C LEU A 26 -15.182 -8.870 -10.266 1.00 0.00 C ATOM 374 O LEU A 26 -15.996 -9.790 -10.170 1.00 0.00 O ATOM 375 CB LEU A 26 -15.865 -6.533 -9.750 1.00 0.00 C ATOM 376 CG LEU A 26 -17.340 -6.615 -9.370 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.899 -7.983 -9.768 1.00 0.00 C ATOM 378 CD2 LEU A 26 -17.488 -6.423 -7.858 1.00 0.00 C ATOM 0 H LEU A 26 -13.417 -6.558 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.601 -8.116 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.423 -5.626 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.762 -6.473 -10.833 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.892 -5.834 -9.893 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.953 -8.039 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.795 -8.119 -10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.348 -8.767 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.542 -6.481 -7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.934 -7.204 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.093 -5.447 -7.575 1.00 0.00 H new ATOM 390 N GLY A 27 -14.313 -8.773 -11.265 1.00 0.00 N ATOM 391 CA GLY A 27 -14.270 -9.768 -12.328 1.00 0.00 C ATOM 392 C GLY A 27 -13.131 -10.757 -12.114 1.00 0.00 C ATOM 393 O GLY A 27 -13.353 -11.964 -12.018 1.00 0.00 O ATOM 0 H GLY A 27 -13.632 -8.020 -11.361 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.218 -10.304 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.147 -9.271 -13.290 1.00 0.00 H new ATOM 397 N GLY A 28 -11.907 -10.241 -12.052 1.00 0.00 N ATOM 398 CA GLY A 28 -10.741 -11.096 -11.865 1.00 0.00 C ATOM 399 C GLY A 28 -10.555 -11.999 -13.077 1.00 0.00 C ATOM 400 O GLY A 28 -10.196 -13.170 -12.945 1.00 0.00 O ATOM 0 H GLY A 28 -11.698 -9.245 -12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.851 -10.484 -11.718 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.864 -11.701 -10.967 1.00 0.00 H new ATOM 404 N VAL A 29 -10.815 -11.444 -14.256 1.00 0.00 N ATOM 405 CA VAL A 29 -10.690 -12.199 -15.497 1.00 0.00 C ATOM 406 C VAL A 29 -9.810 -11.457 -16.493 1.00 0.00 C ATOM 407 O VAL A 29 -9.134 -10.488 -16.146 1.00 0.00 O ATOM 408 CB VAL A 29 -12.080 -12.421 -16.102 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.101 -13.710 -16.941 1.00 0.00 C ATOM 410 CG2 VAL A 29 -13.105 -12.536 -14.971 1.00 0.00 C ATOM 0 H VAL A 29 -11.113 -10.476 -14.378 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.226 -13.160 -15.276 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.326 -11.578 -16.748 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.096 -13.853 -17.364 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.372 -13.631 -17.747 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.850 -14.561 -16.307 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.097 -12.694 -15.394 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.846 -13.378 -14.329 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.103 -11.618 -14.384 1.00 0.00 H new ATOM 420 N LYS A 30 -9.823 -11.930 -17.727 1.00 0.00 N ATOM 421 CA LYS A 30 -9.023 -11.327 -18.785 1.00 0.00 C ATOM 422 C LYS A 30 -9.764 -10.162 -19.428 1.00 0.00 C ATOM 423 O LYS A 30 -10.973 -10.229 -19.656 1.00 0.00 O ATOM 424 CB LYS A 30 -8.696 -12.372 -19.852 1.00 0.00 C ATOM 425 CG LYS A 30 -7.312 -12.087 -20.441 1.00 0.00 C ATOM 426 CD LYS A 30 -7.254 -12.582 -21.888 1.00 0.00 C ATOM 427 CE LYS A 30 -7.346 -11.388 -22.838 1.00 0.00 C ATOM 428 NZ LYS A 30 -7.646 -11.871 -24.215 1.00 0.00 N ATOM 0 H LYS A 30 -10.379 -12.732 -18.024 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.100 -10.953 -18.342 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.719 -13.371 -19.416 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.449 -12.351 -20.640 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.104 -11.018 -20.404 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.544 -12.582 -19.846 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.326 -13.127 -22.060 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.072 -13.277 -22.079 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.125 -10.703 -22.504 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.408 -10.832 -22.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.709 -11.059 -24.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.888 -12.508 -24.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.551 -12.383 -24.214 1.00 0.00 H new ATOM 442 N TYR A 31 -9.029 -9.095 -19.718 1.00 0.00 N ATOM 443 CA TYR A 31 -9.623 -7.917 -20.339 1.00 0.00 C ATOM 444 C TYR A 31 -8.612 -7.208 -21.237 1.00 0.00 C ATOM 445 O TYR A 31 -7.406 -7.429 -21.128 1.00 0.00 O ATOM 446 CB TYR A 31 -10.118 -6.949 -19.263 1.00 0.00 C ATOM 447 CG TYR A 31 -8.939 -6.396 -18.500 1.00 0.00 C ATOM 448 CD1 TYR A 31 -8.418 -7.101 -17.408 1.00 0.00 C ATOM 449 CD2 TYR A 31 -8.366 -5.177 -18.882 1.00 0.00 C ATOM 450 CE1 TYR A 31 -7.325 -6.586 -16.699 1.00 0.00 C ATOM 451 CE2 TYR A 31 -7.274 -4.663 -18.173 1.00 0.00 C ATOM 452 CZ TYR A 31 -6.754 -5.367 -17.082 1.00 0.00 C ATOM 453 OH TYR A 31 -5.677 -4.860 -16.384 1.00 0.00 O ATOM 0 H TYR A 31 -8.028 -9.021 -19.535 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.465 -8.243 -20.950 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.681 -6.136 -19.722 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.797 -7.462 -18.582 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.859 -8.042 -17.112 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.767 -4.633 -19.724 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.923 -7.130 -15.857 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.833 -3.723 -18.468 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.402 -4.007 -16.781 1.00 0.00 H new ATOM 463 N ASP A 32 -9.116 -6.353 -22.123 1.00 0.00 N ATOM 464 CA ASP A 32 -8.253 -5.614 -23.036 1.00 0.00 C ATOM 465 C ASP A 32 -8.714 -4.164 -23.149 1.00 0.00 C ATOM 466 O ASP A 32 -9.892 -3.894 -23.383 1.00 0.00 O ATOM 467 CB ASP A 32 -8.273 -6.268 -24.419 1.00 0.00 C ATOM 468 CG ASP A 32 -6.858 -6.331 -24.983 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.280 -5.279 -25.198 1.00 0.00 O ATOM 470 OD2 ASP A 32 -6.374 -7.431 -25.193 1.00 0.00 O ATOM 0 H ASP A 32 -10.111 -6.156 -22.227 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.237 -5.632 -22.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.692 -7.272 -24.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.917 -5.700 -25.090 1.00 0.00 H new ATOM 475 N ILE A 33 -7.778 -3.236 -22.976 1.00 0.00 N ATOM 476 CA ILE A 33 -8.097 -1.818 -23.054 1.00 0.00 C ATOM 477 C ILE A 33 -7.380 -1.165 -24.236 1.00 0.00 C ATOM 478 O ILE A 33 -6.154 -1.046 -24.238 1.00 0.00 O ATOM 479 CB ILE A 33 -7.677 -1.128 -21.755 1.00 0.00 C ATOM 480 CG1 ILE A 33 -6.473 -1.861 -21.157 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.837 -1.159 -20.757 1.00 0.00 C ATOM 482 CD1 ILE A 33 -5.993 -1.122 -19.906 1.00 0.00 C ATOM 0 H ILE A 33 -6.798 -3.441 -22.782 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.172 -1.711 -23.199 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.409 -0.093 -21.966 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.747 -2.885 -20.904 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.668 -1.918 -21.890 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.535 -0.667 -19.833 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.696 -0.639 -21.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.107 -2.194 -20.546 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.136 -1.645 -19.481 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.703 -0.106 -20.173 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.798 -1.089 -19.172 1.00 0.00 H new ATOM 494 N ASP A 34 -8.150 -0.744 -25.235 1.00 0.00 N ATOM 495 CA ASP A 34 -7.575 -0.103 -26.416 1.00 0.00 C ATOM 496 C ASP A 34 -7.986 1.367 -26.477 1.00 0.00 C ATOM 497 O ASP A 34 -9.103 1.694 -26.878 1.00 0.00 O ATOM 498 CB ASP A 34 -8.041 -0.820 -27.684 1.00 0.00 C ATOM 499 CG ASP A 34 -6.898 -0.894 -28.691 1.00 0.00 C ATOM 500 OD1 ASP A 34 -5.962 -1.637 -28.442 1.00 0.00 O ATOM 501 OD2 ASP A 34 -6.974 -0.207 -29.696 1.00 0.00 O ATOM 0 H ASP A 34 -9.166 -0.833 -25.252 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.489 -0.165 -26.348 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.386 -1.824 -27.438 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.888 -0.291 -28.121 1.00 0.00 H new ATOM 506 N LEU A 35 -7.076 2.245 -26.069 1.00 0.00 N ATOM 507 CA LEU A 35 -7.346 3.680 -26.070 1.00 0.00 C ATOM 508 C LEU A 35 -7.656 4.188 -27.477 1.00 0.00 C ATOM 509 O LEU A 35 -8.579 4.978 -27.674 1.00 0.00 O ATOM 510 CB LEU A 35 -6.133 4.434 -25.516 1.00 0.00 C ATOM 511 CG LEU A 35 -6.583 5.402 -24.420 1.00 0.00 C ATOM 512 CD1 LEU A 35 -5.353 6.013 -23.744 1.00 0.00 C ATOM 513 CD2 LEU A 35 -7.426 6.517 -25.042 1.00 0.00 C ATOM 0 H LEU A 35 -6.147 1.990 -25.734 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.218 3.858 -25.441 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.406 3.728 -25.115 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.637 4.982 -26.317 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.176 4.864 -23.680 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.672 6.703 -22.963 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.749 5.220 -23.303 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.761 6.552 -24.484 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.748 7.208 -24.263 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.831 7.054 -25.780 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.301 6.084 -25.527 1.00 0.00 H new ATOM 525 N PRO A 36 -6.894 3.761 -28.446 1.00 0.00 N ATOM 526 CA PRO A 36 -7.069 4.188 -29.867 1.00 0.00 C ATOM 527 C PRO A 36 -8.497 4.000 -30.379 1.00 0.00 C ATOM 528 O PRO A 36 -8.936 4.711 -31.283 1.00 0.00 O ATOM 529 CB PRO A 36 -6.096 3.293 -30.641 1.00 0.00 C ATOM 530 CG PRO A 36 -5.072 2.862 -29.646 1.00 0.00 C ATOM 531 CD PRO A 36 -5.774 2.821 -28.290 1.00 0.00 C ATOM 0 HA PRO A 36 -6.874 5.254 -29.986 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.611 2.434 -31.071 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.636 3.836 -31.467 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.669 1.883 -29.904 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.233 3.557 -29.627 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.125 1.817 -28.051 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.106 3.125 -27.484 1.00 0.00 H new ATOM 539 N ASN A 37 -9.215 3.041 -29.809 1.00 0.00 N ATOM 540 CA ASN A 37 -10.588 2.781 -30.236 1.00 0.00 C ATOM 541 C ASN A 37 -11.589 3.312 -29.213 1.00 0.00 C ATOM 542 O ASN A 37 -12.800 3.256 -29.428 1.00 0.00 O ATOM 543 CB ASN A 37 -10.795 1.277 -30.426 1.00 0.00 C ATOM 544 CG ASN A 37 -10.557 0.897 -31.884 1.00 0.00 C ATOM 545 OD1 ASN A 37 -11.425 1.111 -32.731 1.00 0.00 O ATOM 546 ND2 ASN A 37 -9.426 0.344 -32.230 1.00 0.00 N ATOM 0 H ASN A 37 -8.878 2.436 -29.060 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.756 3.297 -31.181 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.112 0.723 -29.781 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.807 1.001 -30.130 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.260 0.088 -33.203 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.708 0.168 -31.527 1.00 0.00 H new ATOM 553 N LYS A 38 -11.074 3.821 -28.100 1.00 0.00 N ATOM 554 CA LYS A 38 -11.928 4.356 -27.043 1.00 0.00 C ATOM 555 C LYS A 38 -12.983 3.331 -26.643 1.00 0.00 C ATOM 556 O LYS A 38 -14.121 3.682 -26.330 1.00 0.00 O ATOM 557 CB LYS A 38 -12.615 5.637 -27.520 1.00 0.00 C ATOM 558 CG LYS A 38 -11.646 6.452 -28.376 1.00 0.00 C ATOM 559 CD LYS A 38 -12.323 7.755 -28.807 1.00 0.00 C ATOM 560 CE LYS A 38 -11.260 8.778 -29.215 1.00 0.00 C ATOM 561 NZ LYS A 38 -10.810 8.501 -30.609 1.00 0.00 N ATOM 0 H LYS A 38 -10.074 3.875 -27.905 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.305 4.581 -26.177 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.506 5.390 -28.097 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.943 6.226 -26.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.739 6.670 -27.812 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.346 5.878 -29.252 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.999 7.566 -29.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.927 8.150 -27.990 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.667 9.787 -29.147 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.412 8.729 -28.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.088 9.196 -30.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.406 7.544 -30.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.622 8.569 -31.256 1.00 0.00 H new ATOM 575 N LYS A 39 -12.590 2.065 -26.645 1.00 0.00 N ATOM 576 CA LYS A 39 -13.490 0.984 -26.270 1.00 0.00 C ATOM 577 C LYS A 39 -12.742 -0.024 -25.406 1.00 0.00 C ATOM 578 O LYS A 39 -11.521 -0.140 -25.503 1.00 0.00 O ATOM 579 CB LYS A 39 -14.040 0.299 -27.524 1.00 0.00 C ATOM 580 CG LYS A 39 -15.253 1.079 -28.042 1.00 0.00 C ATOM 581 CD LYS A 39 -15.571 0.647 -29.476 1.00 0.00 C ATOM 582 CE LYS A 39 -17.084 0.694 -29.697 1.00 0.00 C ATOM 583 NZ LYS A 39 -17.377 0.642 -31.158 1.00 0.00 N ATOM 0 H LYS A 39 -11.651 1.761 -26.903 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.326 1.392 -25.702 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.269 0.252 -28.293 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.325 -0.728 -27.295 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.114 0.900 -27.399 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.049 2.149 -28.011 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.068 1.304 -30.185 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.197 -0.361 -29.655 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.562 -0.144 -29.190 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.497 1.606 -29.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.406 0.674 -31.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.933 1.455 -31.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.997 -0.240 -31.557 1.00 0.00 H new ATOM 597 N VAL A 40 -13.461 -0.752 -24.559 1.00 0.00 N ATOM 598 CA VAL A 40 -12.810 -1.732 -23.699 1.00 0.00 C ATOM 599 C VAL A 40 -13.521 -3.077 -23.772 1.00 0.00 C ATOM 600 O VAL A 40 -14.728 -3.167 -23.546 1.00 0.00 O ATOM 601 CB VAL A 40 -12.803 -1.234 -22.255 1.00 0.00 C ATOM 602 CG1 VAL A 40 -12.271 -2.336 -21.337 1.00 0.00 C ATOM 603 CG2 VAL A 40 -11.903 0.000 -22.142 1.00 0.00 C ATOM 0 H VAL A 40 -14.473 -0.685 -24.450 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.785 -1.862 -24.046 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.819 -0.971 -21.959 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.266 -1.980 -20.307 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.911 -3.215 -21.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.256 -2.599 -21.635 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.899 0.354 -21.111 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.888 -0.262 -22.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.281 0.787 -22.795 1.00 0.00 H new ATOM 613 N CYS A 41 -12.763 -4.124 -24.081 1.00 0.00 N ATOM 614 CA CYS A 41 -13.331 -5.462 -24.170 1.00 0.00 C ATOM 615 C CYS A 41 -12.920 -6.289 -22.960 1.00 0.00 C ATOM 616 O CYS A 41 -11.742 -6.595 -22.775 1.00 0.00 O ATOM 617 CB CYS A 41 -12.856 -6.153 -25.449 1.00 0.00 C ATOM 618 SG CYS A 41 -13.893 -7.603 -25.769 1.00 0.00 S ATOM 0 H CYS A 41 -11.762 -4.072 -24.272 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.417 -5.377 -24.192 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.909 -5.462 -26.290 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.813 -6.453 -25.348 1.00 0.00 H new ATOM 0 HG CYS A 41 -13.493 -8.191 -26.857 1.00 0.00 H new ATOM 624 N ILE A 42 -13.897 -6.647 -22.137 1.00 0.00 N ATOM 625 CA ILE A 42 -13.624 -7.438 -20.945 1.00 0.00 C ATOM 626 C ILE A 42 -14.450 -8.717 -20.947 1.00 0.00 C ATOM 627 O ILE A 42 -15.643 -8.695 -21.250 1.00 0.00 O ATOM 628 CB ILE A 42 -13.948 -6.622 -19.693 1.00 0.00 C ATOM 629 CG1 ILE A 42 -13.759 -7.503 -18.448 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.393 -6.120 -19.768 1.00 0.00 C ATOM 631 CD1 ILE A 42 -15.106 -8.080 -17.997 1.00 0.00 C ATOM 0 H ILE A 42 -14.879 -6.404 -22.271 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.567 -7.704 -20.944 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.278 -5.764 -19.630 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.064 -8.313 -18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.318 -6.916 -17.642 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.623 -5.539 -18.875 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.515 -5.493 -20.651 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.071 -6.971 -19.831 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.958 -8.702 -17.114 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -15.789 -7.265 -17.756 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.530 -8.684 -18.799 1.00 0.00 H new ATOM 643 N GLU A 43 -13.813 -9.830 -20.600 1.00 0.00 N ATOM 644 CA GLU A 43 -14.509 -11.109 -20.558 1.00 0.00 C ATOM 645 C GLU A 43 -14.686 -11.549 -19.112 1.00 0.00 C ATOM 646 O GLU A 43 -13.710 -11.779 -18.403 1.00 0.00 O ATOM 647 CB GLU A 43 -13.707 -12.162 -21.326 1.00 0.00 C ATOM 648 CG GLU A 43 -14.384 -13.527 -21.183 1.00 0.00 C ATOM 649 CD GLU A 43 -13.477 -14.481 -20.412 1.00 0.00 C ATOM 650 OE1 GLU A 43 -12.275 -14.409 -20.604 1.00 0.00 O ATOM 651 OE2 GLU A 43 -13.999 -15.268 -19.640 1.00 0.00 O ATOM 0 H GLU A 43 -12.826 -9.872 -20.346 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.489 -10.999 -21.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.640 -11.886 -22.378 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.688 -12.208 -20.943 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.336 -13.417 -20.663 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.604 -13.938 -22.168 1.00 0.00 H new ATOM 658 N SER A 44 -15.934 -11.657 -18.673 1.00 0.00 N ATOM 659 CA SER A 44 -16.208 -12.061 -17.300 1.00 0.00 C ATOM 660 C SER A 44 -17.193 -13.223 -17.259 1.00 0.00 C ATOM 661 O SER A 44 -17.879 -13.508 -18.239 1.00 0.00 O ATOM 662 CB SER A 44 -16.780 -10.882 -16.515 1.00 0.00 C ATOM 663 OG SER A 44 -17.839 -11.339 -15.683 1.00 0.00 O ATOM 0 H SER A 44 -16.762 -11.473 -19.239 1.00 0.00 H new ATOM 0 HA SER A 44 -15.270 -12.384 -16.848 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.000 -10.421 -15.909 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.145 -10.117 -17.200 1.00 0.00 H new ATOM 0 HG SER A 44 -17.992 -10.692 -14.964 1.00 0.00 H new ATOM 669 N GLU A 45 -17.254 -13.887 -16.110 1.00 0.00 N ATOM 670 CA GLU A 45 -18.150 -15.014 -15.934 1.00 0.00 C ATOM 671 C GLU A 45 -19.576 -14.531 -15.679 1.00 0.00 C ATOM 672 O GLU A 45 -20.519 -15.323 -15.678 1.00 0.00 O ATOM 673 CB GLU A 45 -17.672 -15.859 -14.754 1.00 0.00 C ATOM 674 CG GLU A 45 -16.147 -15.982 -14.803 1.00 0.00 C ATOM 675 CD GLU A 45 -15.734 -17.421 -14.518 1.00 0.00 C ATOM 676 OE1 GLU A 45 -15.714 -18.206 -15.452 1.00 0.00 O ATOM 677 OE2 GLU A 45 -15.442 -17.718 -13.371 1.00 0.00 O ATOM 0 H GLU A 45 -16.692 -13.661 -15.289 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.146 -15.615 -16.843 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.981 -15.400 -13.815 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.129 -16.848 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.780 -15.676 -15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.696 -15.313 -14.070 1.00 0.00 H new ATOM 684 N HIS A 46 -19.724 -13.228 -15.467 1.00 0.00 N ATOM 685 CA HIS A 46 -21.038 -12.647 -15.214 1.00 0.00 C ATOM 686 C HIS A 46 -21.444 -11.727 -16.358 1.00 0.00 C ATOM 687 O HIS A 46 -22.521 -11.873 -16.938 1.00 0.00 O ATOM 688 CB HIS A 46 -21.017 -11.859 -13.903 1.00 0.00 C ATOM 689 CG HIS A 46 -22.404 -11.814 -13.322 1.00 0.00 C ATOM 690 ND1 HIS A 46 -23.532 -12.082 -14.081 1.00 0.00 N ATOM 691 CD2 HIS A 46 -22.860 -11.532 -12.058 1.00 0.00 C ATOM 692 CE1 HIS A 46 -24.602 -11.958 -13.275 1.00 0.00 C ATOM 693 NE2 HIS A 46 -24.249 -11.624 -12.031 1.00 0.00 N ATOM 0 H HIS A 46 -18.956 -12.557 -15.465 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.765 -13.456 -15.138 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -20.330 -12.326 -13.197 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -20.653 -10.847 -14.080 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -22.236 -11.278 -11.214 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -25.622 -12.110 -13.595 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -24.865 -11.469 -11.233 1.00 0.00 H new ATOM 701 N SER A 47 -20.572 -10.781 -16.679 1.00 0.00 N ATOM 702 CA SER A 47 -20.838 -9.836 -17.759 1.00 0.00 C ATOM 703 C SER A 47 -22.020 -8.936 -17.415 1.00 0.00 C ATOM 704 O SER A 47 -22.999 -8.870 -18.159 1.00 0.00 O ATOM 705 CB SER A 47 -21.132 -10.591 -19.054 1.00 0.00 C ATOM 706 OG SER A 47 -20.108 -11.549 -19.282 1.00 0.00 O ATOM 0 H SER A 47 -19.676 -10.646 -16.210 1.00 0.00 H new ATOM 0 HA SER A 47 -19.953 -9.214 -17.892 1.00 0.00 H new ATOM 0 HB2 SER A 47 -22.101 -11.086 -18.988 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.187 -9.894 -19.890 1.00 0.00 H new ATOM 0 HG SER A 47 -20.295 -12.036 -20.111 1.00 0.00 H new ATOM 712 N MET A 48 -21.916 -8.243 -16.289 1.00 0.00 N ATOM 713 CA MET A 48 -22.976 -7.343 -15.853 1.00 0.00 C ATOM 714 C MET A 48 -22.839 -7.054 -14.363 1.00 0.00 C ATOM 715 O MET A 48 -23.720 -7.377 -13.567 1.00 0.00 O ATOM 716 CB MET A 48 -24.347 -7.963 -16.145 1.00 0.00 C ATOM 717 CG MET A 48 -24.968 -7.290 -17.370 1.00 0.00 C ATOM 718 SD MET A 48 -25.913 -5.839 -16.844 1.00 0.00 S ATOM 719 CE MET A 48 -24.964 -4.601 -17.761 1.00 0.00 C ATOM 0 H MET A 48 -21.112 -8.286 -15.663 1.00 0.00 H new ATOM 0 HA MET A 48 -22.889 -6.406 -16.403 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.242 -9.034 -16.320 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.002 -7.844 -15.282 1.00 0.00 H new ATOM 0 HG2 MET A 48 -24.187 -6.995 -18.071 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.618 -7.991 -17.893 1.00 0.00 H new ATOM 0 HE1 MET A 48 -25.436 -3.625 -17.649 1.00 0.00 H new ATOM 0 HE2 MET A 48 -23.947 -4.560 -17.371 1.00 0.00 H new ATOM 0 HE3 MET A 48 -24.937 -4.872 -18.816 1.00 0.00 H new ATOM 729 N ASP A 49 -21.718 -6.448 -14.001 1.00 0.00 N ATOM 730 CA ASP A 49 -21.446 -6.113 -12.611 1.00 0.00 C ATOM 731 C ASP A 49 -19.997 -5.677 -12.464 1.00 0.00 C ATOM 732 O ASP A 49 -19.663 -4.860 -11.606 1.00 0.00 O ATOM 733 CB ASP A 49 -21.715 -7.323 -11.714 1.00 0.00 C ATOM 734 CG ASP A 49 -21.578 -8.609 -12.521 1.00 0.00 C ATOM 735 OD1 ASP A 49 -20.454 -8.991 -12.803 1.00 0.00 O ATOM 736 OD2 ASP A 49 -22.599 -9.193 -12.845 1.00 0.00 O ATOM 0 H ASP A 49 -20.981 -6.178 -14.652 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.102 -5.297 -12.309 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.014 -7.331 -10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -22.716 -7.256 -11.288 1.00 0.00 H new ATOM 741 N THR A 50 -19.141 -6.232 -13.313 1.00 0.00 N ATOM 742 CA THR A 50 -17.724 -5.904 -13.281 1.00 0.00 C ATOM 743 C THR A 50 -17.452 -4.572 -13.977 1.00 0.00 C ATOM 744 O THR A 50 -16.733 -3.723 -13.448 1.00 0.00 O ATOM 745 CB THR A 50 -16.916 -7.010 -13.970 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.720 -6.457 -14.503 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.738 -7.629 -15.106 1.00 0.00 C ATOM 0 H THR A 50 -19.403 -6.909 -14.029 1.00 0.00 H new ATOM 0 HA THR A 50 -17.421 -5.820 -12.237 1.00 0.00 H new ATOM 0 HB THR A 50 -16.673 -7.783 -13.241 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.777 -6.435 -15.481 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.157 -8.414 -15.590 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.656 -8.055 -14.701 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.987 -6.859 -15.836 1.00 0.00 H new ATOM 755 N LEU A 51 -18.013 -4.400 -15.171 1.00 0.00 N ATOM 756 CA LEU A 51 -17.801 -3.173 -15.929 1.00 0.00 C ATOM 757 C LEU A 51 -18.454 -1.962 -15.264 1.00 0.00 C ATOM 758 O LEU A 51 -17.798 -0.955 -15.010 1.00 0.00 O ATOM 759 CB LEU A 51 -18.350 -3.334 -17.347 1.00 0.00 C ATOM 760 CG LEU A 51 -19.670 -4.110 -17.308 1.00 0.00 C ATOM 761 CD1 LEU A 51 -20.743 -3.331 -18.070 1.00 0.00 C ATOM 762 CD2 LEU A 51 -19.478 -5.479 -17.965 1.00 0.00 C ATOM 0 H LEU A 51 -18.611 -5.087 -15.630 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.726 -2.995 -15.961 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -18.507 -2.355 -17.799 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.626 -3.861 -17.969 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.981 -4.242 -16.272 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -21.682 -3.883 -18.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.882 -2.355 -17.606 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.430 -3.199 -19.106 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -20.417 -6.031 -17.937 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.167 -5.345 -19.001 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -18.713 -6.037 -17.426 1.00 0.00 H new ATOM 774 N LEU A 52 -19.755 -2.055 -15.018 1.00 0.00 N ATOM 775 CA LEU A 52 -20.502 -0.950 -14.428 1.00 0.00 C ATOM 776 C LEU A 52 -19.958 -0.528 -13.062 1.00 0.00 C ATOM 777 O LEU A 52 -19.775 0.659 -12.806 1.00 0.00 O ATOM 778 CB LEU A 52 -21.974 -1.341 -14.296 1.00 0.00 C ATOM 779 CG LEU A 52 -22.090 -2.681 -13.567 1.00 0.00 C ATOM 780 CD1 LEU A 52 -22.660 -2.450 -12.167 1.00 0.00 C ATOM 781 CD2 LEU A 52 -23.022 -3.614 -14.349 1.00 0.00 C ATOM 0 H LEU A 52 -20.315 -2.884 -15.218 1.00 0.00 H new ATOM 0 HA LEU A 52 -20.392 -0.095 -15.095 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.517 -0.570 -13.749 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.431 -1.413 -15.283 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.103 -3.137 -13.490 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -22.743 -3.404 -11.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -21.997 -1.789 -11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -23.646 -1.993 -12.247 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -23.103 -4.568 -13.828 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -24.009 -3.159 -14.429 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -22.617 -3.779 -15.347 1.00 0.00 H new ATOM 793 N ALA A 53 -19.729 -1.488 -12.178 1.00 0.00 N ATOM 794 CA ALA A 53 -19.240 -1.168 -10.838 1.00 0.00 C ATOM 795 C ALA A 53 -17.834 -0.570 -10.869 1.00 0.00 C ATOM 796 O ALA A 53 -17.564 0.434 -10.208 1.00 0.00 O ATOM 797 CB ALA A 53 -19.237 -2.433 -9.978 1.00 0.00 C ATOM 0 H ALA A 53 -19.870 -2.482 -12.357 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.910 -0.422 -10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.872 -2.193 -8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.250 -2.828 -9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.586 -3.180 -10.432 1.00 0.00 H new ATOM 803 N THR A 54 -16.938 -1.201 -11.613 1.00 0.00 N ATOM 804 CA THR A 54 -15.558 -0.734 -11.695 1.00 0.00 C ATOM 805 C THR A 54 -15.428 0.589 -12.450 1.00 0.00 C ATOM 806 O THR A 54 -14.789 1.522 -11.971 1.00 0.00 O ATOM 807 CB THR A 54 -14.702 -1.791 -12.386 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.714 -2.982 -11.612 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.271 -1.276 -12.517 1.00 0.00 C ATOM 0 H THR A 54 -17.138 -2.034 -12.167 1.00 0.00 H new ATOM 0 HA THR A 54 -15.215 -0.565 -10.674 1.00 0.00 H new ATOM 0 HB THR A 54 -15.102 -2.000 -13.378 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.384 -3.600 -11.972 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.657 -2.029 -13.010 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.267 -0.360 -13.108 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.866 -1.070 -11.526 1.00 0.00 H new ATOM 817 N LEU A 55 -16.000 0.658 -13.645 1.00 0.00 N ATOM 818 CA LEU A 55 -15.899 1.868 -14.450 1.00 0.00 C ATOM 819 C LEU A 55 -16.604 3.055 -13.790 1.00 0.00 C ATOM 820 O LEU A 55 -16.072 4.165 -13.774 1.00 0.00 O ATOM 821 CB LEU A 55 -16.493 1.622 -15.841 1.00 0.00 C ATOM 822 CG LEU A 55 -15.496 0.838 -16.708 1.00 0.00 C ATOM 823 CD1 LEU A 55 -15.886 -0.639 -16.739 1.00 0.00 C ATOM 824 CD2 LEU A 55 -15.516 1.396 -18.131 1.00 0.00 C ATOM 0 H LEU A 55 -16.532 -0.099 -14.074 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.841 2.116 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.427 1.066 -15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.732 2.573 -16.317 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.496 0.938 -16.286 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.176 -1.190 -17.355 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.874 -1.040 -15.725 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.887 -0.742 -17.159 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.810 0.842 -18.749 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.518 1.296 -18.547 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.234 2.449 -18.113 1.00 0.00 H new ATOM 836 N LYS A 56 -17.802 2.827 -13.261 1.00 0.00 N ATOM 837 CA LYS A 56 -18.557 3.903 -12.623 1.00 0.00 C ATOM 838 C LYS A 56 -17.784 4.504 -11.453 1.00 0.00 C ATOM 839 O LYS A 56 -17.957 5.678 -11.124 1.00 0.00 O ATOM 840 CB LYS A 56 -19.907 3.383 -12.128 1.00 0.00 C ATOM 841 CG LYS A 56 -20.817 3.118 -13.329 1.00 0.00 C ATOM 842 CD LYS A 56 -21.073 4.430 -14.069 1.00 0.00 C ATOM 843 CE LYS A 56 -22.502 4.440 -14.608 1.00 0.00 C ATOM 844 NZ LYS A 56 -22.924 3.045 -14.918 1.00 0.00 N ATOM 0 H LYS A 56 -18.267 1.919 -13.260 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.717 4.682 -13.369 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -19.769 2.467 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.368 4.112 -11.461 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -20.353 2.394 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -21.760 2.685 -12.996 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -20.920 5.275 -13.397 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -20.363 4.542 -14.888 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -23.176 4.881 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.560 5.057 -15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.681 3.062 -15.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -22.112 2.511 -15.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.274 2.588 -14.052 1.00 0.00 H new ATOM 858 N LYS A 57 -16.937 3.698 -10.821 1.00 0.00 N ATOM 859 CA LYS A 57 -16.153 4.175 -9.686 1.00 0.00 C ATOM 860 C LYS A 57 -15.603 5.572 -9.964 1.00 0.00 C ATOM 861 O LYS A 57 -15.679 6.458 -9.111 1.00 0.00 O ATOM 862 CB LYS A 57 -15.000 3.209 -9.395 1.00 0.00 C ATOM 863 CG LYS A 57 -15.021 2.817 -7.917 1.00 0.00 C ATOM 864 CD LYS A 57 -13.841 1.891 -7.618 1.00 0.00 C ATOM 865 CE LYS A 57 -13.939 1.385 -6.178 1.00 0.00 C ATOM 866 NZ LYS A 57 -12.825 1.962 -5.373 1.00 0.00 N ATOM 0 H LYS A 57 -16.776 2.722 -11.071 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.805 4.223 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.091 2.320 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.048 3.677 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.965 3.709 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.959 2.318 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.841 1.049 -8.311 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.901 2.424 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.899 1.668 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.890 0.296 -6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.890 1.619 -4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.914 1.671 -5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.892 3.000 -5.381 1.00 0.00 H new ATOM 880 N THR A 58 -15.053 5.768 -11.160 1.00 0.00 N ATOM 881 CA THR A 58 -14.502 7.067 -11.530 1.00 0.00 C ATOM 882 C THR A 58 -15.602 7.977 -12.070 1.00 0.00 C ATOM 883 O THR A 58 -15.401 9.181 -12.239 1.00 0.00 O ATOM 884 CB THR A 58 -13.414 6.890 -12.592 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.171 5.504 -12.790 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.126 7.573 -12.126 1.00 0.00 C ATOM 0 H THR A 58 -14.978 5.052 -11.882 1.00 0.00 H new ATOM 0 HA THR A 58 -14.068 7.526 -10.641 1.00 0.00 H new ATOM 0 HB THR A 58 -13.743 7.341 -13.528 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.201 5.300 -13.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.352 7.446 -12.883 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.313 8.636 -11.973 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.794 7.124 -11.190 1.00 0.00 H new ATOM 894 N GLY A 59 -16.768 7.395 -12.333 1.00 0.00 N ATOM 895 CA GLY A 59 -17.897 8.162 -12.848 1.00 0.00 C ATOM 896 C GLY A 59 -17.966 8.090 -14.370 1.00 0.00 C ATOM 897 O GLY A 59 -18.659 8.884 -15.006 1.00 0.00 O ATOM 0 H GLY A 59 -16.955 6.401 -12.199 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -18.824 7.780 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.806 9.202 -12.534 1.00 0.00 H new ATOM 901 N ALA A 60 -17.246 7.134 -14.949 1.00 0.00 N ATOM 902 CA ALA A 60 -17.237 6.974 -16.399 1.00 0.00 C ATOM 903 C ALA A 60 -18.495 6.251 -16.869 1.00 0.00 C ATOM 904 O ALA A 60 -18.857 5.202 -16.337 1.00 0.00 O ATOM 905 CB ALA A 60 -16.001 6.184 -16.829 1.00 0.00 C ATOM 0 H ALA A 60 -16.667 6.465 -14.442 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.212 7.964 -16.854 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.002 6.069 -17.913 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.102 6.719 -16.521 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.016 5.200 -16.360 1.00 0.00 H new ATOM 911 N THR A 61 -19.159 6.822 -17.869 1.00 0.00 N ATOM 912 CA THR A 61 -20.378 6.225 -18.406 1.00 0.00 C ATOM 913 C THR A 61 -20.051 5.011 -19.271 1.00 0.00 C ATOM 914 O THR A 61 -19.449 5.143 -20.337 1.00 0.00 O ATOM 915 CB THR A 61 -21.136 7.260 -19.241 1.00 0.00 C ATOM 916 OG1 THR A 61 -20.217 8.209 -19.764 1.00 0.00 O ATOM 917 CG2 THR A 61 -22.163 7.975 -18.362 1.00 0.00 C ATOM 0 H THR A 61 -18.877 7.691 -18.322 1.00 0.00 H new ATOM 0 HA THR A 61 -20.999 5.900 -17.571 1.00 0.00 H new ATOM 0 HB THR A 61 -21.649 6.759 -20.062 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.487 7.741 -20.220 1.00 0.00 H new ATOM 0 HG21 THR A 61 -22.702 8.712 -18.958 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.868 7.247 -17.961 1.00 0.00 H new ATOM 0 HG23 THR A 61 -21.652 8.477 -17.540 1.00 0.00 H new ATOM 925 N VAL A 62 -20.454 3.831 -18.809 1.00 0.00 N ATOM 926 CA VAL A 62 -20.199 2.601 -19.554 1.00 0.00 C ATOM 927 C VAL A 62 -21.495 2.060 -20.153 1.00 0.00 C ATOM 928 O VAL A 62 -22.564 2.184 -19.556 1.00 0.00 O ATOM 929 CB VAL A 62 -19.589 1.547 -18.631 1.00 0.00 C ATOM 930 CG1 VAL A 62 -20.581 1.209 -17.514 1.00 0.00 C ATOM 931 CG2 VAL A 62 -19.280 0.283 -19.437 1.00 0.00 C ATOM 0 H VAL A 62 -20.954 3.700 -17.930 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.501 2.827 -20.361 1.00 0.00 H new ATOM 0 HB VAL A 62 -18.669 1.935 -18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -20.146 0.457 -16.856 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.803 2.109 -16.940 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -21.501 0.820 -17.950 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.845 -0.470 -18.780 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.201 -0.104 -19.873 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.574 0.522 -20.232 1.00 0.00 H new ATOM 941 N SER A 63 -21.389 1.461 -21.334 1.00 0.00 N ATOM 942 CA SER A 63 -22.559 0.905 -22.004 1.00 0.00 C ATOM 943 C SER A 63 -22.233 -0.453 -22.616 1.00 0.00 C ATOM 944 O SER A 63 -21.296 -0.580 -23.404 1.00 0.00 O ATOM 945 CB SER A 63 -23.034 1.860 -23.099 1.00 0.00 C ATOM 946 OG SER A 63 -24.239 1.363 -23.664 1.00 0.00 O ATOM 0 H SER A 63 -20.513 1.348 -21.844 1.00 0.00 H new ATOM 0 HA SER A 63 -23.350 0.776 -21.266 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.196 2.855 -22.685 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.270 1.957 -23.870 1.00 0.00 H new ATOM 0 HG SER A 63 -24.548 1.974 -24.366 1.00 0.00 H new ATOM 952 N TYR A 64 -23.012 -1.465 -22.251 1.00 0.00 N ATOM 953 CA TYR A 64 -22.796 -2.806 -22.774 1.00 0.00 C ATOM 954 C TYR A 64 -23.503 -2.976 -24.115 1.00 0.00 C ATOM 955 O TYR A 64 -24.644 -2.547 -24.286 1.00 0.00 O ATOM 956 CB TYR A 64 -23.311 -3.849 -21.777 1.00 0.00 C ATOM 957 CG TYR A 64 -24.758 -4.168 -22.071 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.773 -3.346 -21.568 1.00 0.00 C ATOM 959 CD2 TYR A 64 -25.085 -5.288 -22.846 1.00 0.00 C ATOM 960 CE1 TYR A 64 -27.113 -3.642 -21.839 1.00 0.00 C ATOM 961 CE2 TYR A 64 -26.427 -5.584 -23.118 1.00 0.00 C ATOM 962 CZ TYR A 64 -27.440 -4.761 -22.614 1.00 0.00 C ATOM 963 OH TYR A 64 -28.763 -5.052 -22.882 1.00 0.00 O ATOM 0 H TYR A 64 -23.793 -1.382 -21.600 1.00 0.00 H new ATOM 0 HA TYR A 64 -21.726 -2.952 -22.922 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -22.709 -4.755 -21.842 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -23.212 -3.472 -20.759 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -25.521 -2.482 -20.970 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -24.303 -5.923 -23.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -27.895 -3.007 -21.450 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -26.679 -6.447 -23.716 1.00 0.00 H new ATOM 0 HH TYR A 64 -28.815 -5.860 -23.433 1.00 0.00 H new ATOM 973 N LEU A 65 -22.814 -3.600 -25.061 1.00 0.00 N ATOM 974 CA LEU A 65 -23.378 -3.820 -26.388 1.00 0.00 C ATOM 975 C LEU A 65 -23.877 -5.255 -26.530 1.00 0.00 C ATOM 976 O LEU A 65 -24.753 -5.540 -27.348 1.00 0.00 O ATOM 977 CB LEU A 65 -22.321 -3.537 -27.456 1.00 0.00 C ATOM 978 CG LEU A 65 -21.925 -2.061 -27.407 1.00 0.00 C ATOM 979 CD1 LEU A 65 -20.903 -1.767 -28.508 1.00 0.00 C ATOM 980 CD2 LEU A 65 -23.168 -1.195 -27.620 1.00 0.00 C ATOM 0 H LEU A 65 -21.868 -3.962 -24.936 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.221 -3.142 -26.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.445 -4.165 -27.291 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.711 -3.787 -28.443 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.485 -1.835 -26.436 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -20.622 -0.715 -28.472 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.018 -2.385 -28.357 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -21.341 -1.992 -29.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -22.888 -0.142 -27.585 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -23.608 -1.422 -28.591 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.895 -1.403 -26.835 1.00 0.00 H new ATOM 992 N GLY A 66 -23.313 -6.155 -25.731 1.00 0.00 N ATOM 993 CA GLY A 66 -23.705 -7.559 -25.778 1.00 0.00 C ATOM 994 C GLY A 66 -22.484 -8.459 -25.921 1.00 0.00 C ATOM 995 O GLY A 66 -21.361 -8.048 -25.629 1.00 0.00 O ATOM 0 H GLY A 66 -22.588 -5.939 -25.047 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -24.250 -7.819 -24.870 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -24.383 -7.724 -26.615 1.00 0.00 H new ATOM 999 N LEU A 67 -22.709 -9.689 -26.372 1.00 0.00 N ATOM 1000 CA LEU A 67 -21.615 -10.637 -26.549 1.00 0.00 C ATOM 1001 C LEU A 67 -21.491 -11.048 -28.013 1.00 0.00 C ATOM 1002 O LEU A 67 -22.492 -11.170 -28.720 1.00 0.00 O ATOM 1003 CB LEU A 67 -21.857 -11.876 -25.685 1.00 0.00 C ATOM 1004 CG LEU A 67 -21.969 -11.460 -24.219 1.00 0.00 C ATOM 1005 CD1 LEU A 67 -23.416 -11.077 -23.904 1.00 0.00 C ATOM 1006 CD2 LEU A 67 -21.546 -12.627 -23.325 1.00 0.00 C ATOM 0 H LEU A 67 -23.630 -10.050 -26.620 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.687 -10.155 -26.242 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -22.770 -12.381 -26.002 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.040 -12.586 -25.811 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.319 -10.605 -24.035 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -23.494 -10.781 -22.858 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.719 -10.246 -24.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -24.067 -11.932 -24.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.625 -12.331 -22.279 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -22.196 -13.482 -23.511 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.515 -12.900 -23.547 1.00 0.00 H new ATOM 1018 N GLU A 68 -20.257 -11.259 -28.461 1.00 0.00 N ATOM 1019 CA GLU A 68 -20.012 -11.656 -29.842 1.00 0.00 C ATOM 1020 C GLU A 68 -20.131 -13.171 -29.990 1.00 0.00 C ATOM 1021 O GLU A 68 -19.741 -13.679 -31.028 1.00 0.00 O ATOM 1022 CB GLU A 68 -18.613 -11.207 -30.276 1.00 0.00 C ATOM 1023 CG GLU A 68 -18.729 -10.107 -31.334 1.00 0.00 C ATOM 1024 CD GLU A 68 -19.176 -8.803 -30.683 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -20.370 -8.637 -30.494 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -18.318 -7.990 -30.383 1.00 0.00 O ATOM 1027 OXT GLU A 68 -20.614 -13.800 -29.062 1.00 0.00 O ATOM 0 H GLU A 68 -19.416 -11.162 -27.891 1.00 0.00 H new ATOM 0 HA GLU A 68 -20.758 -11.178 -30.477 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -18.055 -10.839 -29.415 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -18.057 -12.054 -30.678 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.769 -9.965 -31.830 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -19.444 -10.403 -32.102 1.00 0.00 H new TER 1034 GLU A 68