USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 495 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 SER OG : rot -53:sc= -1.18! USER MOD Set 1.2: A 47 SER OG : rot 180:sc= -0.272 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -3.09 K(o=-3.1,f=-7.1!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0495 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 -160:sc= 0 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 : amide:sc= -0.456 K(o=-0.46,f=-2.2) 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+ -155:sc= 0.568 (180deg=-0.692!) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -154:sc= -2.76! USER MOD Single : A 54 THR OG1 : rot 102:sc= -1.21 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 130:sc= -2.01! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.107 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 20 N PRO A 2 -18.067 -16.761 -21.689 1.00 0.00 N ATOM 21 CA PRO A 2 -18.728 -15.772 -22.581 1.00 0.00 C ATOM 22 C PRO A 2 -17.992 -14.436 -22.596 1.00 0.00 C ATOM 23 O PRO A 2 -17.574 -13.933 -21.553 1.00 0.00 O ATOM 24 CB PRO A 2 -20.126 -15.622 -21.981 1.00 0.00 C ATOM 25 CG PRO A 2 -19.990 -15.975 -20.535 1.00 0.00 C ATOM 26 CD PRO A 2 -18.763 -16.885 -20.398 1.00 0.00 C ATOM 0 HA PRO A 2 -18.741 -16.099 -23.621 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.496 -14.604 -22.102 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -20.838 -16.281 -22.479 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -19.871 -15.076 -19.930 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.886 -16.483 -20.178 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.126 -16.570 -19.572 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -19.054 -17.917 -20.201 1.00 0.00 H new ATOM 34 N LYS A 3 -17.834 -13.869 -23.786 1.00 0.00 N ATOM 35 CA LYS A 3 -17.144 -12.593 -23.929 1.00 0.00 C ATOM 36 C LYS A 3 -18.119 -11.435 -23.737 1.00 0.00 C ATOM 37 O LYS A 3 -19.252 -11.482 -24.214 1.00 0.00 O ATOM 38 CB LYS A 3 -16.506 -12.498 -25.316 1.00 0.00 C ATOM 39 CG LYS A 3 -16.095 -13.894 -25.788 1.00 0.00 C ATOM 40 CD LYS A 3 -14.737 -13.817 -26.486 1.00 0.00 C ATOM 41 CE LYS A 3 -14.217 -15.230 -26.752 1.00 0.00 C ATOM 42 NZ LYS A 3 -13.681 -15.308 -28.140 1.00 0.00 N ATOM 0 H LYS A 3 -18.172 -14.270 -24.661 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.368 -12.532 -23.166 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.210 -12.057 -26.022 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.635 -11.843 -25.283 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.041 -14.575 -24.939 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.845 -14.294 -26.471 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.829 -13.270 -27.424 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.028 -13.268 -25.866 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.437 -15.483 -26.034 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.020 -15.956 -26.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.327 -16.269 -28.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.438 -15.084 -28.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.904 -14.626 -28.251 1.00 0.00 H new ATOM 56 N HIS A 4 -17.673 -10.397 -23.037 1.00 0.00 N ATOM 57 CA HIS A 4 -18.521 -9.237 -22.794 1.00 0.00 C ATOM 58 C HIS A 4 -17.846 -7.964 -23.297 1.00 0.00 C ATOM 59 O HIS A 4 -16.705 -7.672 -22.938 1.00 0.00 O ATOM 60 CB HIS A 4 -18.816 -9.106 -21.299 1.00 0.00 C ATOM 61 CG HIS A 4 -20.152 -8.442 -21.106 1.00 0.00 C ATOM 62 ND1 HIS A 4 -20.785 -8.394 -19.873 1.00 0.00 N ATOM 63 CD2 HIS A 4 -20.988 -7.794 -21.983 1.00 0.00 C ATOM 64 CE1 HIS A 4 -21.948 -7.738 -20.042 1.00 0.00 C ATOM 65 NE2 HIS A 4 -22.121 -7.351 -21.308 1.00 0.00 N ATOM 0 H HIS A 4 -16.739 -10.335 -22.632 1.00 0.00 H new ATOM 0 HA HIS A 4 -19.457 -9.376 -23.336 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -18.816 -10.090 -20.830 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -18.034 -8.522 -20.813 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -20.795 -7.650 -23.036 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -22.656 -7.548 -19.249 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -22.914 -6.840 -21.697 1.00 0.00 H new ATOM 73 N GLU A 5 -18.558 -7.211 -24.129 1.00 0.00 N ATOM 74 CA GLU A 5 -18.017 -5.970 -24.674 1.00 0.00 C ATOM 75 C GLU A 5 -18.710 -4.766 -24.042 1.00 0.00 C ATOM 76 O GLU A 5 -19.933 -4.745 -23.903 1.00 0.00 O ATOM 77 CB GLU A 5 -18.205 -5.936 -26.193 1.00 0.00 C ATOM 78 CG GLU A 5 -17.125 -6.791 -26.859 1.00 0.00 C ATOM 79 CD GLU A 5 -17.269 -6.728 -28.376 1.00 0.00 C ATOM 80 OE1 GLU A 5 -18.133 -6.001 -28.840 1.00 0.00 O ATOM 81 OE2 GLU A 5 -16.515 -7.408 -29.052 1.00 0.00 O ATOM 0 H GLU A 5 -19.504 -7.435 -24.439 1.00 0.00 H new ATOM 0 HA GLU A 5 -16.952 -5.926 -24.444 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -19.194 -6.310 -26.456 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -18.146 -4.909 -26.555 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.137 -6.437 -26.565 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.208 -7.824 -26.521 1.00 0.00 H new ATOM 88 N PHE A 6 -17.919 -3.770 -23.655 1.00 0.00 N ATOM 89 CA PHE A 6 -18.469 -2.571 -23.031 1.00 0.00 C ATOM 90 C PHE A 6 -17.797 -1.318 -23.590 1.00 0.00 C ATOM 91 O PHE A 6 -16.585 -1.296 -23.807 1.00 0.00 O ATOM 92 CB PHE A 6 -18.260 -2.639 -21.514 1.00 0.00 C ATOM 93 CG PHE A 6 -19.594 -2.779 -20.818 1.00 0.00 C ATOM 94 CD1 PHE A 6 -20.250 -4.015 -20.803 1.00 0.00 C ATOM 95 CD2 PHE A 6 -20.171 -1.671 -20.188 1.00 0.00 C ATOM 96 CE1 PHE A 6 -21.485 -4.144 -20.156 1.00 0.00 C ATOM 97 CE2 PHE A 6 -21.407 -1.800 -19.542 1.00 0.00 C ATOM 98 CZ PHE A 6 -22.063 -3.035 -19.526 1.00 0.00 C ATOM 0 H PHE A 6 -16.905 -3.768 -23.761 1.00 0.00 H new ATOM 0 HA PHE A 6 -19.535 -2.520 -23.250 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -17.619 -3.484 -21.264 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -17.751 -1.739 -21.167 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -19.804 -4.869 -21.290 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -19.664 -0.717 -20.200 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -21.991 -5.098 -20.143 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -21.854 -0.945 -19.056 1.00 0.00 H new ATOM 0 HZ PHE A 6 -23.016 -3.133 -19.027 1.00 0.00 H new ATOM 108 N SER A 7 -18.593 -0.276 -23.816 1.00 0.00 N ATOM 109 CA SER A 7 -18.067 0.979 -24.346 1.00 0.00 C ATOM 110 C SER A 7 -18.045 2.043 -23.255 1.00 0.00 C ATOM 111 O SER A 7 -19.087 2.405 -22.709 1.00 0.00 O ATOM 112 CB SER A 7 -18.935 1.458 -25.512 1.00 0.00 C ATOM 113 OG SER A 7 -19.398 2.774 -25.243 1.00 0.00 O ATOM 0 H SER A 7 -19.598 -0.275 -23.642 1.00 0.00 H new ATOM 0 HA SER A 7 -17.050 0.810 -24.699 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.360 1.445 -26.438 1.00 0.00 H new ATOM 0 HB3 SER A 7 -19.780 0.784 -25.652 1.00 0.00 H new ATOM 0 HG SER A 7 -19.953 3.084 -25.989 1.00 0.00 H new ATOM 119 N VAL A 8 -16.852 2.535 -22.932 1.00 0.00 N ATOM 120 CA VAL A 8 -16.717 3.550 -21.894 1.00 0.00 C ATOM 121 C VAL A 8 -15.859 4.717 -22.368 1.00 0.00 C ATOM 122 O VAL A 8 -14.744 4.524 -22.854 1.00 0.00 O ATOM 123 CB VAL A 8 -16.089 2.932 -20.642 1.00 0.00 C ATOM 124 CG1 VAL A 8 -15.951 4.001 -19.554 1.00 0.00 C ATOM 125 CG2 VAL A 8 -16.982 1.798 -20.133 1.00 0.00 C ATOM 0 H VAL A 8 -15.975 2.251 -23.369 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.713 3.928 -21.662 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.103 2.538 -20.888 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.504 3.559 -18.664 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -15.315 4.809 -19.916 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -16.936 4.397 -19.306 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.537 1.356 -19.241 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -17.968 2.193 -19.888 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.078 1.036 -20.906 1.00 0.00 H new ATOM 135 N ASP A 9 -16.377 5.930 -22.204 1.00 0.00 N ATOM 136 CA ASP A 9 -15.639 7.123 -22.595 1.00 0.00 C ATOM 137 C ASP A 9 -14.731 7.551 -21.450 1.00 0.00 C ATOM 138 O ASP A 9 -15.203 7.834 -20.349 1.00 0.00 O ATOM 139 CB ASP A 9 -16.609 8.256 -22.937 1.00 0.00 C ATOM 140 CG ASP A 9 -16.744 8.389 -24.451 1.00 0.00 C ATOM 141 OD1 ASP A 9 -17.450 7.585 -25.036 1.00 0.00 O ATOM 142 OD2 ASP A 9 -16.139 9.293 -25.002 1.00 0.00 O ATOM 0 H ASP A 9 -17.298 6.111 -21.806 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.037 6.899 -23.476 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.584 8.057 -22.493 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.250 9.193 -22.512 1.00 0.00 H new ATOM 147 N MET A 10 -13.429 7.578 -21.700 1.00 0.00 N ATOM 148 CA MET A 10 -12.482 7.950 -20.658 1.00 0.00 C ATOM 149 C MET A 10 -12.646 9.414 -20.263 1.00 0.00 C ATOM 150 O MET A 10 -12.410 10.318 -21.066 1.00 0.00 O ATOM 151 CB MET A 10 -11.052 7.710 -21.147 1.00 0.00 C ATOM 152 CG MET A 10 -10.563 6.347 -20.655 1.00 0.00 C ATOM 153 SD MET A 10 -11.653 5.049 -21.291 1.00 0.00 S ATOM 154 CE MET A 10 -10.476 3.681 -21.159 1.00 0.00 C ATOM 0 H MET A 10 -13.009 7.350 -22.601 1.00 0.00 H new ATOM 0 HA MET A 10 -12.681 7.332 -19.782 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.018 7.748 -22.236 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.394 8.498 -20.780 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.540 6.174 -20.989 1.00 0.00 H new ATOM 0 HG3 MET A 10 -10.551 6.325 -19.565 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.947 2.761 -21.506 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.600 3.894 -21.772 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.171 3.563 -20.119 1.00 0.00 H new ATOM 164 N THR A 11 -13.032 9.634 -19.011 1.00 0.00 N ATOM 165 CA THR A 11 -13.205 10.985 -18.492 1.00 0.00 C ATOM 166 C THR A 11 -12.118 11.284 -17.469 1.00 0.00 C ATOM 167 O THR A 11 -11.613 12.403 -17.382 1.00 0.00 O ATOM 168 CB THR A 11 -14.582 11.127 -17.837 1.00 0.00 C ATOM 169 OG1 THR A 11 -15.589 10.800 -18.783 1.00 0.00 O ATOM 170 CG2 THR A 11 -14.777 12.567 -17.356 1.00 0.00 C ATOM 0 H THR A 11 -13.231 8.894 -18.337 1.00 0.00 H new ATOM 0 HA THR A 11 -13.131 11.693 -19.317 1.00 0.00 H new ATOM 0 HB THR A 11 -14.650 10.451 -16.984 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.471 10.889 -18.365 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.758 12.665 -16.890 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.004 12.816 -16.629 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.709 13.247 -18.205 1.00 0.00 H new ATOM 178 N CYS A 12 -11.767 10.261 -16.695 1.00 0.00 N ATOM 179 CA CYS A 12 -10.740 10.394 -15.672 1.00 0.00 C ATOM 180 C CYS A 12 -9.469 9.671 -16.096 1.00 0.00 C ATOM 181 O CYS A 12 -8.751 9.130 -15.261 1.00 0.00 O ATOM 182 CB CYS A 12 -11.252 9.816 -14.352 1.00 0.00 C ATOM 183 SG CYS A 12 -11.979 11.143 -13.359 1.00 0.00 S ATOM 0 H CYS A 12 -12.180 9.331 -16.759 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.510 11.451 -15.540 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -11.995 9.042 -14.545 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.434 9.345 -13.807 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.029 10.775 -12.113 1.00 0.00 H new ATOM 189 N GLY A 13 -9.201 9.672 -17.402 1.00 0.00 N ATOM 190 CA GLY A 13 -8.011 9.015 -17.941 1.00 0.00 C ATOM 191 C GLY A 13 -7.006 8.697 -16.839 1.00 0.00 C ATOM 192 O GLY A 13 -6.614 7.546 -16.657 1.00 0.00 O ATOM 0 H GLY A 13 -9.790 10.119 -18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.300 8.095 -18.449 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.544 9.658 -18.687 1.00 0.00 H new ATOM 196 N GLY A 14 -6.597 9.725 -16.103 1.00 0.00 N ATOM 197 CA GLY A 14 -5.642 9.541 -15.017 1.00 0.00 C ATOM 198 C GLY A 14 -6.235 8.678 -13.907 1.00 0.00 C ATOM 199 O GLY A 14 -5.625 7.701 -13.471 1.00 0.00 O ATOM 0 H GLY A 14 -6.909 10.687 -16.237 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.735 9.073 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.354 10.512 -14.613 1.00 0.00 H new ATOM 203 N CYS A 15 -7.428 9.048 -13.452 1.00 0.00 N ATOM 204 CA CYS A 15 -8.099 8.308 -12.390 1.00 0.00 C ATOM 205 C CYS A 15 -8.806 7.073 -12.945 1.00 0.00 C ATOM 206 O CYS A 15 -8.724 5.990 -12.367 1.00 0.00 O ATOM 207 CB CYS A 15 -9.117 9.213 -11.695 1.00 0.00 C ATOM 208 SG CYS A 15 -8.627 9.460 -9.970 1.00 0.00 S ATOM 0 H CYS A 15 -7.948 9.853 -13.801 1.00 0.00 H new ATOM 0 HA CYS A 15 -7.347 7.981 -11.673 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -9.176 10.173 -12.208 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.109 8.765 -11.742 1.00 0.00 H new ATOM 0 HG CYS A 15 -9.491 10.231 -9.380 1.00 0.00 H new ATOM 214 N ALA A 16 -9.505 7.243 -14.064 1.00 0.00 N ATOM 215 CA ALA A 16 -10.226 6.131 -14.673 1.00 0.00 C ATOM 216 C ALA A 16 -9.288 4.952 -14.926 1.00 0.00 C ATOM 217 O ALA A 16 -9.700 3.794 -14.841 1.00 0.00 O ATOM 218 CB ALA A 16 -10.851 6.577 -15.996 1.00 0.00 C ATOM 0 H ALA A 16 -9.587 8.129 -14.562 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.011 5.815 -13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.388 5.741 -16.445 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.545 7.397 -15.812 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.066 6.911 -16.675 1.00 0.00 H new ATOM 224 N GLU A 17 -8.028 5.249 -15.234 1.00 0.00 N ATOM 225 CA GLU A 17 -7.050 4.195 -15.494 1.00 0.00 C ATOM 226 C GLU A 17 -6.839 3.341 -14.245 1.00 0.00 C ATOM 227 O GLU A 17 -6.828 2.112 -14.320 1.00 0.00 O ATOM 228 CB GLU A 17 -5.717 4.806 -15.930 1.00 0.00 C ATOM 229 CG GLU A 17 -4.763 3.695 -16.371 1.00 0.00 C ATOM 230 CD GLU A 17 -3.773 4.235 -17.397 1.00 0.00 C ATOM 231 OE1 GLU A 17 -4.202 4.555 -18.494 1.00 0.00 O ATOM 232 OE2 GLU A 17 -2.599 4.319 -17.072 1.00 0.00 O ATOM 0 H GLU A 17 -7.663 6.198 -15.309 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.433 3.562 -16.294 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.877 5.508 -16.749 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.278 5.371 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.226 3.301 -15.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.328 2.868 -16.799 1.00 0.00 H new ATOM 239 N ALA A 18 -6.684 3.996 -13.097 1.00 0.00 N ATOM 240 CA ALA A 18 -6.487 3.277 -11.842 1.00 0.00 C ATOM 241 C ALA A 18 -7.755 2.514 -11.483 1.00 0.00 C ATOM 242 O ALA A 18 -7.707 1.469 -10.833 1.00 0.00 O ATOM 243 CB ALA A 18 -6.146 4.257 -10.719 1.00 0.00 C ATOM 0 H ALA A 18 -6.691 5.012 -13.010 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.661 2.576 -11.964 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.002 3.708 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.231 4.793 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.962 4.969 -10.597 1.00 0.00 H new ATOM 249 N VAL A 19 -8.888 3.050 -11.917 1.00 0.00 N ATOM 250 CA VAL A 19 -10.177 2.429 -11.654 1.00 0.00 C ATOM 251 C VAL A 19 -10.295 1.110 -12.412 1.00 0.00 C ATOM 252 O VAL A 19 -10.876 0.145 -11.915 1.00 0.00 O ATOM 253 CB VAL A 19 -11.302 3.371 -12.080 1.00 0.00 C ATOM 254 CG1 VAL A 19 -12.564 2.564 -12.377 1.00 0.00 C ATOM 255 CG2 VAL A 19 -11.590 4.365 -10.954 1.00 0.00 C ATOM 0 H VAL A 19 -8.939 3.916 -12.454 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.258 2.229 -10.586 1.00 0.00 H new ATOM 0 HB VAL A 19 -10.998 3.912 -12.976 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.364 3.239 -12.680 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.362 1.856 -13.181 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.867 2.021 -11.482 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.393 5.037 -11.258 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.891 3.822 -10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.692 4.945 -10.742 1.00 0.00 H new ATOM 265 N SER A 20 -9.746 1.082 -13.622 1.00 0.00 N ATOM 266 CA SER A 20 -9.800 -0.118 -14.450 1.00 0.00 C ATOM 267 C SER A 20 -9.175 -1.305 -13.723 1.00 0.00 C ATOM 268 O SER A 20 -9.629 -2.439 -13.866 1.00 0.00 O ATOM 269 CB SER A 20 -9.060 0.126 -15.764 1.00 0.00 C ATOM 270 OG SER A 20 -7.856 -0.630 -15.773 1.00 0.00 O ATOM 0 H SER A 20 -9.261 1.871 -14.049 1.00 0.00 H new ATOM 0 HA SER A 20 -10.845 -0.347 -14.656 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.689 -0.160 -16.607 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.838 1.187 -15.878 1.00 0.00 H new ATOM 0 HG SER A 20 -7.380 -0.477 -16.616 1.00 0.00 H new ATOM 276 N ARG A 21 -8.139 -1.037 -12.935 1.00 0.00 N ATOM 277 CA ARG A 21 -7.474 -2.097 -12.183 1.00 0.00 C ATOM 278 C ARG A 21 -8.483 -2.822 -11.301 1.00 0.00 C ATOM 279 O ARG A 21 -8.441 -4.044 -11.161 1.00 0.00 O ATOM 280 CB ARG A 21 -6.359 -1.505 -11.318 1.00 0.00 C ATOM 281 CG ARG A 21 -5.478 -0.602 -12.182 1.00 0.00 C ATOM 282 CD ARG A 21 -4.216 -0.218 -11.407 1.00 0.00 C ATOM 283 NE ARG A 21 -4.267 -0.761 -10.055 1.00 0.00 N ATOM 284 CZ ARG A 21 -3.273 -0.558 -9.195 1.00 0.00 C ATOM 285 NH1 ARG A 21 -2.231 0.141 -9.552 1.00 0.00 N ATOM 286 NH2 ARG A 21 -3.342 -1.057 -7.991 1.00 0.00 N ATOM 0 H ARG A 21 -7.744 -0.106 -12.801 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.040 -2.808 -12.885 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.786 -0.935 -10.493 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.761 -2.303 -10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.208 -1.116 -13.104 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.028 0.295 -12.467 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.334 -0.596 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.122 0.867 -11.367 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.079 -1.306 -9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.178 0.533 -10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.470 0.296 -8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.157 -1.602 -7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.580 -0.902 -7.330 1.00 0.00 H new ATOM 300 N VAL A 22 -9.394 -2.052 -10.718 1.00 0.00 N ATOM 301 CA VAL A 22 -10.427 -2.610 -9.855 1.00 0.00 C ATOM 302 C VAL A 22 -11.240 -3.655 -10.609 1.00 0.00 C ATOM 303 O VAL A 22 -11.918 -4.485 -10.005 1.00 0.00 O ATOM 304 CB VAL A 22 -11.358 -1.499 -9.371 1.00 0.00 C ATOM 305 CG1 VAL A 22 -12.175 -1.999 -8.179 1.00 0.00 C ATOM 306 CG2 VAL A 22 -10.526 -0.287 -8.949 1.00 0.00 C ATOM 0 H VAL A 22 -9.438 -1.039 -10.828 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.945 -3.081 -8.999 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.034 -1.214 -10.177 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.839 -1.206 -7.834 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.768 -2.863 -8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.502 -2.285 -7.371 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.188 0.507 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -9.850 -0.572 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.945 0.070 -9.800 1.00 0.00 H new ATOM 316 N LEU A 23 -11.175 -3.597 -11.934 1.00 0.00 N ATOM 317 CA LEU A 23 -11.916 -4.533 -12.766 1.00 0.00 C ATOM 318 C LEU A 23 -11.494 -5.961 -12.446 1.00 0.00 C ATOM 319 O LEU A 23 -12.309 -6.883 -12.480 1.00 0.00 O ATOM 320 CB LEU A 23 -11.659 -4.221 -14.246 1.00 0.00 C ATOM 321 CG LEU A 23 -12.451 -5.177 -15.150 1.00 0.00 C ATOM 322 CD1 LEU A 23 -11.767 -6.547 -15.190 1.00 0.00 C ATOM 323 CD2 LEU A 23 -13.874 -5.334 -14.614 1.00 0.00 C ATOM 0 H LEU A 23 -10.620 -2.915 -12.451 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.982 -4.431 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.944 -3.191 -14.460 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.594 -4.308 -14.461 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.486 -4.764 -16.158 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.335 -7.219 -15.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.756 -6.438 -15.582 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.722 -6.961 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.433 -6.013 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.839 -5.739 -13.603 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.366 -4.362 -14.598 1.00 0.00 H new ATOM 335 N ASN A 24 -10.218 -6.136 -12.120 1.00 0.00 N ATOM 336 CA ASN A 24 -9.707 -7.456 -11.777 1.00 0.00 C ATOM 337 C ASN A 24 -10.404 -7.973 -10.523 1.00 0.00 C ATOM 338 O ASN A 24 -10.751 -9.151 -10.430 1.00 0.00 O ATOM 339 CB ASN A 24 -8.198 -7.391 -11.536 1.00 0.00 C ATOM 340 CG ASN A 24 -7.600 -8.792 -11.595 1.00 0.00 C ATOM 341 OD1 ASN A 24 -7.879 -9.624 -10.731 1.00 0.00 O ATOM 342 ND2 ASN A 24 -6.786 -9.105 -12.565 1.00 0.00 N ATOM 0 H ASN A 24 -9.525 -5.388 -12.086 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.906 -8.135 -12.606 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.729 -6.754 -12.286 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.996 -6.941 -10.564 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.380 -10.040 -12.608 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.556 -8.415 -13.280 1.00 0.00 H new ATOM 349 N LYS A 25 -10.611 -7.082 -9.562 1.00 0.00 N ATOM 350 CA LYS A 25 -11.272 -7.454 -8.320 1.00 0.00 C ATOM 351 C LYS A 25 -12.732 -7.814 -8.580 1.00 0.00 C ATOM 352 O LYS A 25 -13.237 -8.807 -8.057 1.00 0.00 O ATOM 353 CB LYS A 25 -11.198 -6.297 -7.323 1.00 0.00 C ATOM 354 CG LYS A 25 -11.938 -6.672 -6.037 1.00 0.00 C ATOM 355 CD LYS A 25 -12.071 -5.432 -5.150 1.00 0.00 C ATOM 356 CE LYS A 25 -13.164 -5.653 -4.100 1.00 0.00 C ATOM 357 NZ LYS A 25 -13.866 -4.365 -3.842 1.00 0.00 N ATOM 0 H LYS A 25 -10.332 -6.102 -9.619 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.763 -8.324 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.157 -6.064 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.639 -5.401 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.924 -7.071 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.396 -7.456 -5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.121 -5.223 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.313 -4.562 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.873 -6.403 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.726 -6.033 -3.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.609 -4.511 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.184 -3.662 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.296 -4.021 -4.724 1.00 0.00 H new ATOM 371 N LEU A 26 -13.409 -6.999 -9.384 1.00 0.00 N ATOM 372 CA LEU A 26 -14.810 -7.249 -9.693 1.00 0.00 C ATOM 373 C LEU A 26 -14.942 -8.415 -10.667 1.00 0.00 C ATOM 374 O LEU A 26 -15.825 -9.259 -10.526 1.00 0.00 O ATOM 375 CB LEU A 26 -15.431 -5.997 -10.320 1.00 0.00 C ATOM 376 CG LEU A 26 -16.813 -5.732 -9.717 1.00 0.00 C ATOM 377 CD1 LEU A 26 -17.643 -7.018 -9.730 1.00 0.00 C ATOM 378 CD2 LEU A 26 -16.656 -5.243 -8.276 1.00 0.00 C ATOM 0 H LEU A 26 -13.014 -6.170 -9.828 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.330 -7.497 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.782 -5.137 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.516 -6.126 -11.399 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.321 -4.971 -10.309 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.625 -6.822 -9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.760 -7.365 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -17.136 -7.784 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.640 -5.054 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.143 -6.004 -7.687 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.073 -4.322 -8.266 1.00 0.00 H new ATOM 390 N GLY A 27 -14.058 -8.450 -11.658 1.00 0.00 N ATOM 391 CA GLY A 27 -14.090 -9.511 -12.655 1.00 0.00 C ATOM 392 C GLY A 27 -13.033 -10.576 -12.382 1.00 0.00 C ATOM 393 O GLY A 27 -13.341 -11.767 -12.325 1.00 0.00 O ATOM 0 H GLY A 27 -13.317 -7.762 -11.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.077 -9.972 -12.663 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.929 -9.085 -13.645 1.00 0.00 H new ATOM 397 N GLY A 28 -11.784 -10.145 -12.236 1.00 0.00 N ATOM 398 CA GLY A 28 -10.694 -11.085 -11.998 1.00 0.00 C ATOM 399 C GLY A 28 -10.513 -11.980 -13.216 1.00 0.00 C ATOM 400 O GLY A 28 -10.129 -13.144 -13.101 1.00 0.00 O ATOM 0 H GLY A 28 -11.504 -9.165 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.771 -10.542 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -10.909 -11.691 -11.118 1.00 0.00 H new ATOM 404 N VAL A 29 -10.806 -11.417 -14.382 1.00 0.00 N ATOM 405 CA VAL A 29 -10.693 -12.151 -15.635 1.00 0.00 C ATOM 406 C VAL A 29 -9.844 -11.380 -16.637 1.00 0.00 C ATOM 407 O VAL A 29 -9.308 -10.315 -16.327 1.00 0.00 O ATOM 408 CB VAL A 29 -12.086 -12.384 -16.215 1.00 0.00 C ATOM 409 CG1 VAL A 29 -12.786 -13.497 -15.433 1.00 0.00 C ATOM 410 CG2 VAL A 29 -12.902 -11.094 -16.106 1.00 0.00 C ATOM 0 H VAL A 29 -11.124 -10.453 -14.485 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.210 -13.108 -15.437 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.001 -12.676 -17.262 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.780 -13.663 -15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -12.204 -14.416 -15.508 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.873 -13.207 -14.386 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.897 -11.257 -16.519 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.987 -10.805 -15.059 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.404 -10.300 -16.662 1.00 0.00 H new ATOM 420 N LYS A 30 -9.728 -11.928 -17.838 1.00 0.00 N ATOM 421 CA LYS A 30 -8.941 -11.292 -18.889 1.00 0.00 C ATOM 422 C LYS A 30 -9.631 -10.023 -19.379 1.00 0.00 C ATOM 423 O LYS A 30 -10.816 -10.036 -19.711 1.00 0.00 O ATOM 424 CB LYS A 30 -8.748 -12.262 -20.062 1.00 0.00 C ATOM 425 CG LYS A 30 -7.254 -12.452 -20.334 1.00 0.00 C ATOM 426 CD LYS A 30 -7.063 -13.181 -21.666 1.00 0.00 C ATOM 427 CE LYS A 30 -5.855 -14.116 -21.568 1.00 0.00 C ATOM 428 NZ LYS A 30 -5.239 -14.278 -22.916 1.00 0.00 N ATOM 0 H LYS A 30 -10.166 -12.808 -18.110 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.967 -11.026 -18.478 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.211 -13.222 -19.833 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.243 -11.874 -20.952 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.753 -11.484 -20.363 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.797 -13.024 -19.526 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.959 -13.751 -21.912 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.914 -12.460 -22.469 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.124 -13.710 -20.869 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.164 -15.086 -21.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.418 -14.913 -22.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.938 -14.684 -23.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.930 -13.350 -23.270 1.00 0.00 H new ATOM 442 N TYR A 31 -8.879 -8.929 -19.424 1.00 0.00 N ATOM 443 CA TYR A 31 -9.425 -7.653 -19.875 1.00 0.00 C ATOM 444 C TYR A 31 -8.472 -6.971 -20.853 1.00 0.00 C ATOM 445 O TYR A 31 -7.280 -7.280 -20.891 1.00 0.00 O ATOM 446 CB TYR A 31 -9.670 -6.734 -18.676 1.00 0.00 C ATOM 447 CG TYR A 31 -8.347 -6.310 -18.084 1.00 0.00 C ATOM 448 CD1 TYR A 31 -7.694 -7.139 -17.162 1.00 0.00 C ATOM 449 CD2 TYR A 31 -7.772 -5.089 -18.455 1.00 0.00 C ATOM 450 CE1 TYR A 31 -6.468 -6.746 -16.612 1.00 0.00 C ATOM 451 CE2 TYR A 31 -6.545 -4.696 -17.904 1.00 0.00 C ATOM 452 CZ TYR A 31 -5.893 -5.525 -16.984 1.00 0.00 C ATOM 453 OH TYR A 31 -4.685 -5.137 -16.442 1.00 0.00 O ATOM 0 H TYR A 31 -7.895 -8.899 -19.156 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.369 -7.848 -20.384 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.238 -5.857 -18.987 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.267 -7.251 -17.925 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.137 -8.082 -16.876 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.274 -4.450 -19.166 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.966 -7.385 -15.901 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.102 -3.753 -18.189 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.427 -4.265 -16.808 1.00 0.00 H new ATOM 463 N ASP A 32 -9.006 -6.041 -21.642 1.00 0.00 N ATOM 464 CA ASP A 32 -8.193 -5.319 -22.618 1.00 0.00 C ATOM 465 C ASP A 32 -8.660 -3.870 -22.738 1.00 0.00 C ATOM 466 O ASP A 32 -9.853 -3.602 -22.874 1.00 0.00 O ATOM 467 CB ASP A 32 -8.288 -6.001 -23.984 1.00 0.00 C ATOM 468 CG ASP A 32 -7.462 -5.230 -25.009 1.00 0.00 C ATOM 469 OD1 ASP A 32 -6.387 -4.777 -24.653 1.00 0.00 O ATOM 470 OD2 ASP A 32 -7.917 -5.104 -26.134 1.00 0.00 O ATOM 0 H ASP A 32 -9.990 -5.771 -21.625 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.157 -5.329 -22.278 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.929 -7.028 -23.913 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.329 -6.049 -24.305 1.00 0.00 H new ATOM 475 N ILE A 33 -7.710 -2.939 -22.684 1.00 0.00 N ATOM 476 CA ILE A 33 -8.037 -1.522 -22.786 1.00 0.00 C ATOM 477 C ILE A 33 -7.366 -0.900 -24.008 1.00 0.00 C ATOM 478 O ILE A 33 -6.139 -0.852 -24.094 1.00 0.00 O ATOM 479 CB ILE A 33 -7.573 -0.793 -21.525 1.00 0.00 C ATOM 480 CG1 ILE A 33 -6.397 -1.550 -20.903 1.00 0.00 C ATOM 481 CG2 ILE A 33 -8.724 -0.728 -20.519 1.00 0.00 C ATOM 482 CD1 ILE A 33 -5.691 -0.650 -19.888 1.00 0.00 C ATOM 0 H ILE A 33 -6.716 -3.139 -22.571 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.117 -1.424 -22.891 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.260 0.218 -21.785 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.752 -2.458 -20.415 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.698 -1.859 -21.680 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.393 -0.208 -19.620 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.563 -0.190 -20.961 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.037 -1.739 -20.259 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.853 -1.189 -19.445 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.322 0.245 -20.390 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.393 -0.364 -19.105 1.00 0.00 H new ATOM 494 N ASP A 34 -8.177 -0.421 -24.947 1.00 0.00 N ATOM 495 CA ASP A 34 -7.644 0.201 -26.154 1.00 0.00 C ATOM 496 C ASP A 34 -8.028 1.676 -26.207 1.00 0.00 C ATOM 497 O ASP A 34 -9.148 2.024 -26.585 1.00 0.00 O ATOM 498 CB ASP A 34 -8.187 -0.513 -27.391 1.00 0.00 C ATOM 499 CG ASP A 34 -7.764 -1.977 -27.376 1.00 0.00 C ATOM 500 OD1 ASP A 34 -6.584 -2.230 -27.202 1.00 0.00 O ATOM 501 OD2 ASP A 34 -8.628 -2.824 -27.536 1.00 0.00 O ATOM 0 H ASP A 34 -9.195 -0.451 -24.897 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.557 0.119 -26.135 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.274 -0.440 -27.415 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.815 -0.028 -28.294 1.00 0.00 H new ATOM 506 N LEU A 35 -7.093 2.539 -25.827 1.00 0.00 N ATOM 507 CA LEU A 35 -7.340 3.975 -25.835 1.00 0.00 C ATOM 508 C LEU A 35 -7.648 4.469 -27.246 1.00 0.00 C ATOM 509 O LEU A 35 -8.582 5.242 -27.455 1.00 0.00 O ATOM 510 CB LEU A 35 -6.115 4.717 -25.292 1.00 0.00 C ATOM 511 CG LEU A 35 -6.555 5.704 -24.206 1.00 0.00 C ATOM 512 CD1 LEU A 35 -6.815 4.946 -22.904 1.00 0.00 C ATOM 513 CD2 LEU A 35 -5.451 6.741 -23.974 1.00 0.00 C ATOM 0 H LEU A 35 -6.161 2.271 -25.511 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.203 4.175 -25.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.398 4.006 -24.883 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.611 5.249 -26.099 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.467 6.208 -24.526 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.128 5.648 -22.131 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.601 4.208 -23.064 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.902 4.442 -22.588 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.767 7.442 -23.201 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.539 6.236 -23.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.261 7.284 -24.900 1.00 0.00 H new ATOM 525 N PRO A 36 -6.870 4.047 -28.205 1.00 0.00 N ATOM 526 CA PRO A 36 -7.040 4.460 -29.630 1.00 0.00 C ATOM 527 C PRO A 36 -8.441 4.169 -30.167 1.00 0.00 C ATOM 528 O PRO A 36 -8.937 4.876 -31.044 1.00 0.00 O ATOM 529 CB PRO A 36 -5.987 3.642 -30.385 1.00 0.00 C ATOM 530 CG PRO A 36 -4.986 3.227 -29.357 1.00 0.00 C ATOM 531 CD PRO A 36 -5.739 3.124 -28.033 1.00 0.00 C ATOM 0 HA PRO A 36 -6.916 5.536 -29.748 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.437 2.774 -30.867 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.519 4.235 -31.170 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.533 2.271 -29.621 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.177 3.955 -29.287 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.078 2.106 -27.843 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.110 3.413 -27.191 1.00 0.00 H new ATOM 539 N ASN A 37 -9.070 3.125 -29.641 1.00 0.00 N ATOM 540 CA ASN A 37 -10.411 2.752 -30.085 1.00 0.00 C ATOM 541 C ASN A 37 -11.458 3.176 -29.059 1.00 0.00 C ATOM 542 O ASN A 37 -12.658 3.121 -29.325 1.00 0.00 O ATOM 543 CB ASN A 37 -10.487 1.240 -30.300 1.00 0.00 C ATOM 544 CG ASN A 37 -10.235 0.908 -31.768 1.00 0.00 C ATOM 545 OD1 ASN A 37 -11.074 0.283 -32.417 1.00 0.00 O ATOM 546 ND2 ASN A 37 -9.122 1.291 -32.330 1.00 0.00 N ATOM 0 H ASN A 37 -8.680 2.526 -28.914 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.616 3.265 -31.025 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.750 0.738 -29.673 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -11.467 0.870 -29.998 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.944 1.073 -33.310 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.429 1.809 -31.789 1.00 0.00 H new ATOM 553 N LYS A 38 -10.995 3.594 -27.887 1.00 0.00 N ATOM 554 CA LYS A 38 -11.902 4.020 -26.828 1.00 0.00 C ATOM 555 C LYS A 38 -12.943 2.940 -26.564 1.00 0.00 C ATOM 556 O LYS A 38 -14.112 3.237 -26.319 1.00 0.00 O ATOM 557 CB LYS A 38 -12.607 5.319 -27.222 1.00 0.00 C ATOM 558 CG LYS A 38 -11.591 6.311 -27.796 1.00 0.00 C ATOM 559 CD LYS A 38 -12.154 6.938 -29.072 1.00 0.00 C ATOM 560 CE LYS A 38 -11.224 8.058 -29.545 1.00 0.00 C ATOM 561 NZ LYS A 38 -11.639 8.508 -30.904 1.00 0.00 N ATOM 0 H LYS A 38 -10.005 3.647 -27.647 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.319 4.190 -25.923 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.383 5.113 -27.959 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.101 5.753 -26.353 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.371 7.087 -27.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.652 5.802 -28.012 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.252 6.180 -29.849 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.152 7.334 -28.885 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.260 8.894 -28.847 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.193 7.705 -29.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.007 9.269 -31.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.583 7.708 -31.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.617 8.861 -30.869 1.00 0.00 H new ATOM 575 N LYS A 39 -12.509 1.687 -26.615 1.00 0.00 N ATOM 576 CA LYS A 39 -13.411 0.569 -26.381 1.00 0.00 C ATOM 577 C LYS A 39 -12.838 -0.359 -25.319 1.00 0.00 C ATOM 578 O LYS A 39 -11.622 -0.449 -25.148 1.00 0.00 O ATOM 579 CB LYS A 39 -13.624 -0.210 -27.681 1.00 0.00 C ATOM 580 CG LYS A 39 -15.124 -0.406 -27.918 1.00 0.00 C ATOM 581 CD LYS A 39 -15.345 -1.574 -28.885 1.00 0.00 C ATOM 582 CE LYS A 39 -16.109 -2.691 -28.171 1.00 0.00 C ATOM 583 NZ LYS A 39 -16.426 -3.776 -29.143 1.00 0.00 N ATOM 0 H LYS A 39 -11.545 1.421 -26.815 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.367 0.960 -26.032 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.180 0.329 -28.518 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.124 -1.177 -27.624 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.629 -0.604 -26.972 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.560 0.505 -28.328 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.904 -1.237 -29.758 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.387 -1.948 -29.246 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.512 -3.087 -27.350 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.028 -2.297 -27.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.262 -4.301 -28.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.621 -3.360 -30.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.616 -4.425 -29.216 1.00 0.00 H new ATOM 597 N VAL A 40 -13.719 -1.048 -24.604 1.00 0.00 N ATOM 598 CA VAL A 40 -13.283 -1.966 -23.562 1.00 0.00 C ATOM 599 C VAL A 40 -13.839 -3.362 -23.812 1.00 0.00 C ATOM 600 O VAL A 40 -15.053 -3.556 -23.867 1.00 0.00 O ATOM 601 CB VAL A 40 -13.755 -1.468 -22.196 1.00 0.00 C ATOM 602 CG1 VAL A 40 -13.192 -2.376 -21.102 1.00 0.00 C ATOM 603 CG2 VAL A 40 -13.261 -0.036 -21.978 1.00 0.00 C ATOM 0 H VAL A 40 -14.730 -0.989 -24.725 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.194 -2.011 -23.577 1.00 0.00 H new ATOM 0 HB VAL A 40 -14.844 -1.486 -22.157 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -13.528 -2.022 -20.127 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.544 -3.396 -21.259 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.103 -2.358 -21.139 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.597 0.320 -21.004 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.172 -0.017 -22.015 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -13.662 0.610 -22.759 1.00 0.00 H new ATOM 613 N CYS A 41 -12.943 -4.330 -23.954 1.00 0.00 N ATOM 614 CA CYS A 41 -13.355 -5.707 -24.187 1.00 0.00 C ATOM 615 C CYS A 41 -12.975 -6.568 -22.991 1.00 0.00 C ATOM 616 O CYS A 41 -11.794 -6.755 -22.700 1.00 0.00 O ATOM 617 CB CYS A 41 -12.683 -6.252 -25.448 1.00 0.00 C ATOM 618 SG CYS A 41 -13.332 -7.900 -25.815 1.00 0.00 S ATOM 0 H CYS A 41 -11.934 -4.189 -23.912 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.436 -5.733 -24.322 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -12.866 -5.582 -26.288 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -11.603 -6.298 -25.306 1.00 0.00 H new ATOM 0 HG CYS A 41 -12.762 -8.362 -26.888 1.00 0.00 H new ATOM 624 N ILE A 42 -13.980 -7.080 -22.293 1.00 0.00 N ATOM 625 CA ILE A 42 -13.729 -7.909 -21.125 1.00 0.00 C ATOM 626 C ILE A 42 -14.459 -9.240 -21.222 1.00 0.00 C ATOM 627 O ILE A 42 -15.649 -9.288 -21.536 1.00 0.00 O ATOM 628 CB ILE A 42 -14.186 -7.181 -19.858 1.00 0.00 C ATOM 629 CG1 ILE A 42 -14.434 -8.203 -18.742 1.00 0.00 C ATOM 630 CG2 ILE A 42 -15.480 -6.420 -20.146 1.00 0.00 C ATOM 631 CD1 ILE A 42 -14.673 -7.476 -17.418 1.00 0.00 C ATOM 0 H ILE A 42 -14.966 -6.937 -22.513 1.00 0.00 H new ATOM 0 HA ILE A 42 -12.657 -8.101 -21.081 1.00 0.00 H new ATOM 0 HB ILE A 42 -13.413 -6.480 -19.544 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -15.297 -8.822 -18.988 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.578 -8.871 -18.651 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.806 -5.902 -19.244 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -15.306 -5.693 -20.939 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.253 -7.122 -20.460 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -14.849 -8.207 -16.628 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.798 -6.876 -17.169 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -15.543 -6.826 -17.512 1.00 0.00 H new ATOM 643 N GLU A 43 -13.747 -10.313 -20.911 1.00 0.00 N ATOM 644 CA GLU A 43 -14.344 -11.638 -20.925 1.00 0.00 C ATOM 645 C GLU A 43 -14.469 -12.120 -19.487 1.00 0.00 C ATOM 646 O GLU A 43 -13.467 -12.287 -18.799 1.00 0.00 O ATOM 647 CB GLU A 43 -13.469 -12.602 -21.729 1.00 0.00 C ATOM 648 CG GLU A 43 -13.905 -14.042 -21.454 1.00 0.00 C ATOM 649 CD GLU A 43 -13.396 -14.960 -22.560 1.00 0.00 C ATOM 650 OE1 GLU A 43 -13.846 -14.808 -23.683 1.00 0.00 O ATOM 651 OE2 GLU A 43 -12.563 -15.803 -22.266 1.00 0.00 O ATOM 0 H GLU A 43 -12.762 -10.292 -20.648 1.00 0.00 H new ATOM 0 HA GLU A 43 -15.327 -11.600 -21.394 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.553 -12.383 -22.794 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.421 -12.470 -21.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.517 -14.371 -20.490 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.992 -14.097 -21.396 1.00 0.00 H new ATOM 658 N SER A 44 -15.696 -12.314 -19.025 1.00 0.00 N ATOM 659 CA SER A 44 -15.905 -12.744 -17.648 1.00 0.00 C ATOM 660 C SER A 44 -16.847 -13.936 -17.568 1.00 0.00 C ATOM 661 O SER A 44 -17.553 -14.257 -18.524 1.00 0.00 O ATOM 662 CB SER A 44 -16.474 -11.588 -16.826 1.00 0.00 C ATOM 663 OG SER A 44 -17.893 -11.602 -16.914 1.00 0.00 O ATOM 0 H SER A 44 -16.548 -12.184 -19.571 1.00 0.00 H new ATOM 0 HA SER A 44 -14.939 -13.049 -17.245 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.162 -11.678 -15.786 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.085 -10.639 -17.194 1.00 0.00 H new ATOM 0 HG SER A 44 -18.162 -11.616 -17.856 1.00 0.00 H new ATOM 669 N GLU A 45 -16.843 -14.586 -16.409 1.00 0.00 N ATOM 670 CA GLU A 45 -17.686 -15.744 -16.180 1.00 0.00 C ATOM 671 C GLU A 45 -19.109 -15.309 -15.842 1.00 0.00 C ATOM 672 O GLU A 45 -20.057 -16.079 -15.995 1.00 0.00 O ATOM 673 CB GLU A 45 -17.115 -16.563 -15.023 1.00 0.00 C ATOM 674 CG GLU A 45 -15.611 -16.782 -15.226 1.00 0.00 C ATOM 675 CD GLU A 45 -14.895 -16.748 -13.879 1.00 0.00 C ATOM 676 OE1 GLU A 45 -15.071 -17.681 -13.113 1.00 0.00 O ATOM 677 OE2 GLU A 45 -14.182 -15.789 -13.634 1.00 0.00 O ATOM 0 H GLU A 45 -16.261 -14.326 -15.613 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.711 -16.349 -17.087 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.291 -16.046 -14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.625 -17.524 -14.961 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.437 -17.740 -15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.208 -16.010 -15.882 1.00 0.00 H new ATOM 684 N HIS A 46 -19.250 -14.069 -15.379 1.00 0.00 N ATOM 685 CA HIS A 46 -20.562 -13.543 -15.017 1.00 0.00 C ATOM 686 C HIS A 46 -21.069 -12.581 -16.085 1.00 0.00 C ATOM 687 O HIS A 46 -22.173 -12.739 -16.606 1.00 0.00 O ATOM 688 CB HIS A 46 -20.478 -12.818 -13.673 1.00 0.00 C ATOM 689 CG HIS A 46 -20.578 -13.816 -12.551 1.00 0.00 C ATOM 690 ND1 HIS A 46 -21.743 -13.991 -11.820 1.00 0.00 N ATOM 691 CD2 HIS A 46 -19.667 -14.697 -12.020 1.00 0.00 C ATOM 692 CE1 HIS A 46 -21.504 -14.943 -10.899 1.00 0.00 C ATOM 693 NE2 HIS A 46 -20.254 -15.407 -10.977 1.00 0.00 N ATOM 0 H HIS A 46 -18.478 -13.415 -15.247 1.00 0.00 H new ATOM 0 HA HIS A 46 -21.259 -14.378 -14.939 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -19.538 -12.270 -13.603 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -21.281 -12.085 -13.593 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -18.649 -14.820 -12.361 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -22.235 -15.290 -10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -19.823 -16.127 -10.397 1.00 0.00 H new ATOM 701 N SER A 47 -20.253 -11.585 -16.401 1.00 0.00 N ATOM 702 CA SER A 47 -20.615 -10.594 -17.409 1.00 0.00 C ATOM 703 C SER A 47 -21.865 -9.823 -16.992 1.00 0.00 C ATOM 704 O SER A 47 -22.895 -10.416 -16.668 1.00 0.00 O ATOM 705 CB SER A 47 -20.865 -11.280 -18.753 1.00 0.00 C ATOM 706 OG SER A 47 -19.620 -11.652 -19.329 1.00 0.00 O ATOM 0 H SER A 47 -19.337 -11.440 -15.976 1.00 0.00 H new ATOM 0 HA SER A 47 -19.787 -9.892 -17.505 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.492 -12.161 -18.614 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.403 -10.609 -19.423 1.00 0.00 H new ATOM 0 HG SER A 47 -19.777 -12.093 -20.190 1.00 0.00 H new ATOM 712 N MET A 48 -21.764 -8.498 -17.009 1.00 0.00 N ATOM 713 CA MET A 48 -22.889 -7.645 -16.640 1.00 0.00 C ATOM 714 C MET A 48 -22.915 -7.398 -15.137 1.00 0.00 C ATOM 715 O MET A 48 -23.872 -7.762 -14.453 1.00 0.00 O ATOM 716 CB MET A 48 -24.205 -8.293 -17.074 1.00 0.00 C ATOM 717 CG MET A 48 -25.190 -7.203 -17.497 1.00 0.00 C ATOM 718 SD MET A 48 -26.809 -7.945 -17.823 1.00 0.00 S ATOM 719 CE MET A 48 -26.498 -8.426 -19.539 1.00 0.00 C ATOM 0 H MET A 48 -20.918 -7.993 -17.273 1.00 0.00 H new ATOM 0 HA MET A 48 -22.769 -6.689 -17.149 1.00 0.00 H new ATOM 0 HB2 MET A 48 -24.029 -8.981 -17.901 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.623 -8.879 -16.255 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.274 -6.450 -16.713 1.00 0.00 H new ATOM 0 HG3 MET A 48 -24.825 -6.695 -18.389 1.00 0.00 H new ATOM 0 HE1 MET A 48 -27.384 -8.913 -19.947 1.00 0.00 H new ATOM 0 HE2 MET A 48 -26.267 -7.539 -20.129 1.00 0.00 H new ATOM 0 HE3 MET A 48 -25.655 -9.116 -19.576 1.00 0.00 H new ATOM 729 N ASP A 49 -21.859 -6.773 -14.630 1.00 0.00 N ATOM 730 CA ASP A 49 -21.768 -6.476 -13.206 1.00 0.00 C ATOM 731 C ASP A 49 -20.369 -5.990 -12.855 1.00 0.00 C ATOM 732 O ASP A 49 -20.200 -5.048 -12.079 1.00 0.00 O ATOM 733 CB ASP A 49 -22.091 -7.730 -12.391 1.00 0.00 C ATOM 734 CG ASP A 49 -21.432 -8.949 -13.030 1.00 0.00 C ATOM 735 OD1 ASP A 49 -21.227 -8.925 -14.233 1.00 0.00 O ATOM 736 OD2 ASP A 49 -21.143 -9.887 -12.307 1.00 0.00 O ATOM 0 H ASP A 49 -21.058 -6.464 -15.180 1.00 0.00 H new ATOM 0 HA ASP A 49 -22.487 -5.692 -12.968 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -21.738 -7.610 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -23.170 -7.874 -12.341 1.00 0.00 H new ATOM 741 N THR A 50 -19.371 -6.648 -13.428 1.00 0.00 N ATOM 742 CA THR A 50 -17.981 -6.295 -13.173 1.00 0.00 C ATOM 743 C THR A 50 -17.559 -5.071 -13.986 1.00 0.00 C ATOM 744 O THR A 50 -16.772 -4.247 -13.522 1.00 0.00 O ATOM 745 CB THR A 50 -17.080 -7.483 -13.526 1.00 0.00 C ATOM 746 OG1 THR A 50 -15.765 -7.017 -13.779 1.00 0.00 O ATOM 747 CG2 THR A 50 -17.615 -8.191 -14.774 1.00 0.00 C ATOM 0 H THR A 50 -19.497 -7.429 -14.072 1.00 0.00 H new ATOM 0 HA THR A 50 -17.879 -6.050 -12.116 1.00 0.00 H new ATOM 0 HB THR A 50 -17.069 -8.185 -12.692 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.306 -7.642 -14.378 1.00 0.00 H new ATOM 0 HG21 THR A 50 -16.969 -9.034 -15.019 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.626 -8.551 -14.583 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.631 -7.492 -15.610 1.00 0.00 H new ATOM 755 N LEU A 51 -18.066 -4.976 -15.210 1.00 0.00 N ATOM 756 CA LEU A 51 -17.714 -3.868 -16.097 1.00 0.00 C ATOM 757 C LEU A 51 -18.202 -2.511 -15.577 1.00 0.00 C ATOM 758 O LEU A 51 -17.419 -1.566 -15.471 1.00 0.00 O ATOM 759 CB LEU A 51 -18.297 -4.106 -17.493 1.00 0.00 C ATOM 760 CG LEU A 51 -18.626 -5.594 -17.676 1.00 0.00 C ATOM 761 CD1 LEU A 51 -19.998 -5.895 -17.068 1.00 0.00 C ATOM 762 CD2 LEU A 51 -18.651 -5.950 -19.171 1.00 0.00 C ATOM 0 H LEU A 51 -18.719 -5.648 -15.612 1.00 0.00 H new ATOM 0 HA LEU A 51 -16.625 -3.836 -16.137 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -19.197 -3.507 -17.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.585 -3.786 -18.253 1.00 0.00 H new ATOM 0 HG LEU A 51 -17.860 -6.187 -17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.230 -6.952 -17.199 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -19.985 -5.655 -16.005 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -20.757 -5.292 -17.567 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -18.885 -7.008 -19.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -19.410 -5.352 -19.675 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -17.675 -5.743 -19.611 1.00 0.00 H new ATOM 774 N LEU A 52 -19.498 -2.405 -15.303 1.00 0.00 N ATOM 775 CA LEU A 52 -20.081 -1.143 -14.850 1.00 0.00 C ATOM 776 C LEU A 52 -19.560 -0.692 -13.483 1.00 0.00 C ATOM 777 O LEU A 52 -19.241 0.482 -13.300 1.00 0.00 O ATOM 778 CB LEU A 52 -21.603 -1.270 -14.791 1.00 0.00 C ATOM 779 CG LEU A 52 -21.983 -2.605 -14.154 1.00 0.00 C ATOM 780 CD1 LEU A 52 -23.152 -2.395 -13.192 1.00 0.00 C ATOM 781 CD2 LEU A 52 -22.391 -3.589 -15.246 1.00 0.00 C ATOM 0 H LEU A 52 -20.164 -3.173 -15.386 1.00 0.00 H new ATOM 0 HA LEU A 52 -19.782 -0.385 -15.574 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -22.024 -0.447 -14.213 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -22.023 -1.202 -15.795 1.00 0.00 H new ATOM 0 HG LEU A 52 -21.130 -3.004 -13.606 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -23.424 -3.347 -12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -22.860 -1.691 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -24.007 -1.997 -13.739 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -22.663 -4.543 -14.793 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -23.245 -3.191 -15.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -21.557 -3.737 -15.932 1.00 0.00 H new ATOM 793 N ALA A 53 -19.500 -1.604 -12.519 1.00 0.00 N ATOM 794 CA ALA A 53 -19.044 -1.239 -11.182 1.00 0.00 C ATOM 795 C ALA A 53 -17.653 -0.624 -11.224 1.00 0.00 C ATOM 796 O ALA A 53 -17.412 0.426 -10.628 1.00 0.00 O ATOM 797 CB ALA A 53 -19.032 -2.473 -10.280 1.00 0.00 C ATOM 0 H ALA A 53 -19.756 -2.585 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 53 -19.735 -0.498 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.690 -2.192 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -20.039 -2.886 -10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.358 -3.222 -10.697 1.00 0.00 H new ATOM 803 N THR A 54 -16.740 -1.278 -11.926 1.00 0.00 N ATOM 804 CA THR A 54 -15.379 -0.775 -12.028 1.00 0.00 C ATOM 805 C THR A 54 -15.326 0.490 -12.879 1.00 0.00 C ATOM 806 O THR A 54 -14.757 1.499 -12.471 1.00 0.00 O ATOM 807 CB THR A 54 -14.474 -1.839 -12.643 1.00 0.00 C ATOM 808 OG1 THR A 54 -14.260 -2.874 -11.694 1.00 0.00 O ATOM 809 CG2 THR A 54 -13.136 -1.209 -13.031 1.00 0.00 C ATOM 0 H THR A 54 -16.914 -2.149 -12.428 1.00 0.00 H new ATOM 0 HA THR A 54 -15.032 -0.534 -11.023 1.00 0.00 H new ATOM 0 HB THR A 54 -14.946 -2.254 -13.534 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.824 -3.644 -11.917 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.490 -1.969 -13.470 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.305 -0.413 -13.756 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.658 -0.795 -12.143 1.00 0.00 H new ATOM 817 N LEU A 55 -15.908 0.420 -14.070 1.00 0.00 N ATOM 818 CA LEU A 55 -15.905 1.556 -14.979 1.00 0.00 C ATOM 819 C LEU A 55 -16.676 2.741 -14.399 1.00 0.00 C ATOM 820 O LEU A 55 -16.213 3.879 -14.465 1.00 0.00 O ATOM 821 CB LEU A 55 -16.517 1.144 -16.317 1.00 0.00 C ATOM 822 CG LEU A 55 -15.538 0.242 -17.070 1.00 0.00 C ATOM 823 CD1 LEU A 55 -16.311 -0.653 -18.040 1.00 0.00 C ATOM 824 CD2 LEU A 55 -14.546 1.104 -17.854 1.00 0.00 C ATOM 0 H LEU A 55 -16.386 -0.408 -14.426 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.871 1.869 -15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -17.458 0.619 -16.152 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -16.745 2.028 -16.912 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.995 -0.378 -16.356 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.613 -1.296 -18.577 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.017 -1.269 -17.483 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.855 -0.033 -18.753 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -13.849 0.460 -18.390 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.088 1.725 -18.567 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.993 1.742 -17.164 1.00 0.00 H new ATOM 836 N LYS A 56 -17.852 2.475 -13.841 1.00 0.00 N ATOM 837 CA LYS A 56 -18.667 3.543 -13.269 1.00 0.00 C ATOM 838 C LYS A 56 -18.050 4.064 -11.974 1.00 0.00 C ATOM 839 O LYS A 56 -18.520 5.049 -11.405 1.00 0.00 O ATOM 840 CB LYS A 56 -20.087 3.037 -12.998 1.00 0.00 C ATOM 841 CG LYS A 56 -20.141 2.368 -11.624 1.00 0.00 C ATOM 842 CD LYS A 56 -21.399 1.501 -11.525 1.00 0.00 C ATOM 843 CE LYS A 56 -22.640 2.395 -11.544 1.00 0.00 C ATOM 844 NZ LYS A 56 -23.781 1.678 -10.905 1.00 0.00 N ATOM 0 H LYS A 56 -18.259 1.542 -13.772 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.707 4.361 -13.988 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.793 3.867 -13.037 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -20.385 2.328 -13.771 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.252 1.756 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.146 3.125 -10.840 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -21.433 0.796 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.376 0.912 -10.608 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.439 3.326 -11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -22.893 2.662 -12.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -24.624 2.286 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.978 0.802 -11.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -23.537 1.445 -9.921 1.00 0.00 H new ATOM 858 N LYS A 57 -16.997 3.399 -11.511 1.00 0.00 N ATOM 859 CA LYS A 57 -16.332 3.809 -10.279 1.00 0.00 C ATOM 860 C LYS A 57 -15.816 5.244 -10.385 1.00 0.00 C ATOM 861 O LYS A 57 -15.943 6.026 -9.442 1.00 0.00 O ATOM 862 CB LYS A 57 -15.166 2.870 -9.967 1.00 0.00 C ATOM 863 CG LYS A 57 -15.012 2.741 -8.450 1.00 0.00 C ATOM 864 CD LYS A 57 -13.558 2.417 -8.105 1.00 0.00 C ATOM 865 CE LYS A 57 -13.492 1.803 -6.705 1.00 0.00 C ATOM 866 NZ LYS A 57 -12.401 2.452 -5.925 1.00 0.00 N ATOM 0 H LYS A 57 -16.589 2.582 -11.965 1.00 0.00 H new ATOM 0 HA LYS A 57 -17.064 3.759 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.344 1.890 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.246 3.256 -10.406 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.313 3.669 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.669 1.957 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.145 1.724 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.953 3.323 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.446 1.935 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.313 0.730 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.358 2.033 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.493 2.305 -6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.590 3.472 -5.846 1.00 0.00 H new ATOM 880 N THR A 58 -15.230 5.589 -11.531 1.00 0.00 N ATOM 881 CA THR A 58 -14.701 6.935 -11.724 1.00 0.00 C ATOM 882 C THR A 58 -15.802 7.889 -12.182 1.00 0.00 C ATOM 883 O THR A 58 -15.597 9.102 -12.238 1.00 0.00 O ATOM 884 CB THR A 58 -13.575 6.914 -12.761 1.00 0.00 C ATOM 885 OG1 THR A 58 -13.283 5.569 -13.114 1.00 0.00 O ATOM 886 CG2 THR A 58 -12.325 7.573 -12.173 1.00 0.00 C ATOM 0 H THR A 58 -15.111 4.964 -12.328 1.00 0.00 H new ATOM 0 HA THR A 58 -14.308 7.287 -10.770 1.00 0.00 H new ATOM 0 HB THR A 58 -13.888 7.463 -13.649 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.276 5.481 -14.090 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.524 7.558 -12.912 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.550 8.605 -11.903 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.009 7.026 -11.284 1.00 0.00 H new ATOM 894 N GLY A 59 -16.969 7.338 -12.500 1.00 0.00 N ATOM 895 CA GLY A 59 -18.092 8.159 -12.941 1.00 0.00 C ATOM 896 C GLY A 59 -18.070 8.369 -14.452 1.00 0.00 C ATOM 897 O GLY A 59 -18.747 9.257 -14.972 1.00 0.00 O ATOM 0 H GLY A 59 -17.161 6.337 -12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.029 7.682 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -18.058 9.125 -12.438 1.00 0.00 H new ATOM 901 N ALA A 60 -17.292 7.552 -15.154 1.00 0.00 N ATOM 902 CA ALA A 60 -17.197 7.665 -16.606 1.00 0.00 C ATOM 903 C ALA A 60 -18.445 7.089 -17.270 1.00 0.00 C ATOM 904 O ALA A 60 -19.056 6.154 -16.754 1.00 0.00 O ATOM 905 CB ALA A 60 -15.958 6.920 -17.111 1.00 0.00 C ATOM 0 H ALA A 60 -16.723 6.810 -14.746 1.00 0.00 H new ATOM 0 HA ALA A 60 -17.114 8.721 -16.864 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -15.896 7.010 -18.195 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -15.065 7.352 -16.659 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -16.030 5.867 -16.838 1.00 0.00 H new ATOM 911 N THR A 61 -18.816 7.655 -18.413 1.00 0.00 N ATOM 912 CA THR A 61 -19.996 7.185 -19.133 1.00 0.00 C ATOM 913 C THR A 61 -19.845 5.709 -19.483 1.00 0.00 C ATOM 914 O THR A 61 -18.908 5.319 -20.179 1.00 0.00 O ATOM 915 CB THR A 61 -20.189 8.005 -20.412 1.00 0.00 C ATOM 916 OG1 THR A 61 -19.585 9.281 -20.248 1.00 0.00 O ATOM 917 CG2 THR A 61 -21.685 8.179 -20.689 1.00 0.00 C ATOM 0 H THR A 61 -18.325 8.430 -18.858 1.00 0.00 H new ATOM 0 HA THR A 61 -20.870 7.309 -18.494 1.00 0.00 H new ATOM 0 HB THR A 61 -19.725 7.486 -21.251 1.00 0.00 H new ATOM 0 HG1 THR A 61 -19.705 9.807 -21.066 1.00 0.00 H new ATOM 0 HG21 THR A 61 -21.821 8.763 -21.599 1.00 0.00 H new ATOM 0 HG22 THR A 61 -22.148 7.200 -20.813 1.00 0.00 H new ATOM 0 HG23 THR A 61 -22.152 8.698 -19.852 1.00 0.00 H new ATOM 925 N VAL A 62 -20.769 4.894 -18.986 1.00 0.00 N ATOM 926 CA VAL A 62 -20.726 3.459 -19.241 1.00 0.00 C ATOM 927 C VAL A 62 -21.874 3.033 -20.150 1.00 0.00 C ATOM 928 O VAL A 62 -23.026 3.411 -19.933 1.00 0.00 O ATOM 929 CB VAL A 62 -20.814 2.700 -17.916 1.00 0.00 C ATOM 930 CG1 VAL A 62 -21.191 1.244 -18.188 1.00 0.00 C ATOM 931 CG2 VAL A 62 -19.458 2.752 -17.208 1.00 0.00 C ATOM 0 H VAL A 62 -21.552 5.200 -18.408 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.785 3.225 -19.740 1.00 0.00 H new ATOM 0 HB VAL A 62 -21.573 3.160 -17.283 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -21.254 0.702 -17.244 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -22.156 1.206 -18.693 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -20.432 0.784 -18.821 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -19.520 2.211 -16.264 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -18.699 2.292 -17.841 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.188 3.790 -17.015 1.00 0.00 H new ATOM 941 N SER A 63 -21.553 2.241 -21.168 1.00 0.00 N ATOM 942 CA SER A 63 -22.566 1.766 -22.104 1.00 0.00 C ATOM 943 C SER A 63 -22.343 0.292 -22.430 1.00 0.00 C ATOM 944 O SER A 63 -21.242 -0.110 -22.804 1.00 0.00 O ATOM 945 CB SER A 63 -22.515 2.589 -23.391 1.00 0.00 C ATOM 946 OG SER A 63 -23.825 3.048 -23.705 1.00 0.00 O ATOM 0 H SER A 63 -20.606 1.916 -21.365 1.00 0.00 H new ATOM 0 HA SER A 63 -23.546 1.880 -21.640 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.840 3.436 -23.269 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.123 1.984 -24.208 1.00 0.00 H new ATOM 0 HG SER A 63 -23.797 3.578 -24.529 1.00 0.00 H new ATOM 952 N TYR A 64 -23.395 -0.507 -22.288 1.00 0.00 N ATOM 953 CA TYR A 64 -23.301 -1.933 -22.574 1.00 0.00 C ATOM 954 C TYR A 64 -23.785 -2.225 -23.992 1.00 0.00 C ATOM 955 O TYR A 64 -24.809 -1.698 -24.428 1.00 0.00 O ATOM 956 CB TYR A 64 -24.130 -2.728 -21.557 1.00 0.00 C ATOM 957 CG TYR A 64 -25.486 -3.060 -22.136 1.00 0.00 C ATOM 958 CD1 TYR A 64 -25.623 -4.151 -23.002 1.00 0.00 C ATOM 959 CD2 TYR A 64 -26.602 -2.280 -21.808 1.00 0.00 C ATOM 960 CE1 TYR A 64 -26.878 -4.462 -23.542 1.00 0.00 C ATOM 961 CE2 TYR A 64 -27.855 -2.592 -22.348 1.00 0.00 C ATOM 962 CZ TYR A 64 -27.993 -3.683 -23.214 1.00 0.00 C ATOM 963 OH TYR A 64 -29.228 -3.989 -23.747 1.00 0.00 O ATOM 0 H TYR A 64 -24.315 -0.194 -21.979 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.257 -2.237 -22.495 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -23.607 -3.645 -21.288 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -24.249 -2.149 -20.641 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -24.762 -4.753 -23.254 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -26.496 -1.439 -21.139 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -26.985 -5.303 -24.211 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -28.716 -1.991 -22.096 1.00 0.00 H new ATOM 0 HH TYR A 64 -29.894 -3.350 -23.417 1.00 0.00 H new ATOM 973 N LEU A 65 -23.044 -3.065 -24.703 1.00 0.00 N ATOM 974 CA LEU A 65 -23.409 -3.419 -26.070 1.00 0.00 C ATOM 975 C LEU A 65 -24.237 -4.699 -26.090 1.00 0.00 C ATOM 976 O LEU A 65 -25.201 -4.814 -26.847 1.00 0.00 O ATOM 977 CB LEU A 65 -22.148 -3.609 -26.915 1.00 0.00 C ATOM 978 CG LEU A 65 -21.251 -2.378 -26.778 1.00 0.00 C ATOM 979 CD1 LEU A 65 -19.932 -2.622 -27.513 1.00 0.00 C ATOM 980 CD2 LEU A 65 -21.955 -1.165 -27.390 1.00 0.00 C ATOM 0 H LEU A 65 -22.193 -3.511 -24.360 1.00 0.00 H new ATOM 0 HA LEU A 65 -24.006 -2.609 -26.488 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -21.611 -4.501 -26.591 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.417 -3.761 -27.960 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.051 -2.191 -25.723 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.293 -1.744 -27.415 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.429 -3.487 -27.081 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.133 -2.809 -28.568 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -21.317 -0.287 -27.293 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -22.154 -1.354 -28.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -22.896 -0.989 -26.869 1.00 0.00 H new ATOM 992 N GLY A 66 -23.854 -5.658 -25.254 1.00 0.00 N ATOM 993 CA GLY A 66 -24.568 -6.927 -25.183 1.00 0.00 C ATOM 994 C GLY A 66 -23.593 -8.100 -25.181 1.00 0.00 C ATOM 995 O GLY A 66 -22.377 -7.907 -25.181 1.00 0.00 O ATOM 0 H GLY A 66 -23.059 -5.582 -24.620 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -25.179 -6.955 -24.281 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -25.247 -7.015 -26.031 1.00 0.00 H new