USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 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 164:sc= -0.329 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.831 (180deg=-0.861) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 81:sc= -0.677 USER MOD Single : A 13 TYR OH : rot 69:sc= 0.11 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -6:sc= 0.982 USER MOD Single : A 19 MET CE :methyl -172:sc= -6.51! (180deg=-6.81!) USER MOD Single : A 20 ASN : amide:sc= -0.891 X(o=-0.89,f=-0.6) USER MOD Single : A 22 ASN : amide:sc= -0.404 K(o=-0.4,f=-1.5) USER MOD Single : A 31 ASN : amide:sc= -0.648 K(o=-0.65,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -54:sc= 0.712 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.193 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.142 -4.726 -1.269 1.00 0.00 N ATOM 2 CA MET A 1 11.748 -4.780 -2.701 1.00 0.00 C ATOM 3 C MET A 1 12.253 -6.060 -3.362 1.00 0.00 C ATOM 4 O MET A 1 11.636 -6.573 -4.295 1.00 0.00 O ATOM 5 CB MET A 1 12.326 -3.557 -3.416 1.00 0.00 C ATOM 6 CG MET A 1 11.416 -2.340 -3.372 1.00 0.00 C ATOM 7 SD MET A 1 11.395 -1.545 -1.754 1.00 0.00 S ATOM 8 CE MET A 1 9.867 -2.193 -1.078 1.00 0.00 C ATOM 0 H1 MET A 1 11.876 -3.803 -0.870 1.00 0.00 H new ATOM 0 H2 MET A 1 11.656 -5.482 -0.746 1.00 0.00 H new ATOM 0 H3 MET A 1 13.171 -4.855 -1.187 1.00 0.00 H new ATOM 0 HA MET A 1 10.660 -4.777 -2.772 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.284 -3.301 -2.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.524 -3.815 -4.456 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.743 -1.620 -4.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.402 -2.640 -3.638 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.849 -2.032 -0.000 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.021 -1.681 -1.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.801 -3.261 -1.286 1.00 0.00 H new ATOM 20 N ARG A 2 13.379 -6.570 -2.872 1.00 0.00 N ATOM 21 CA ARG A 2 13.966 -7.789 -3.416 1.00 0.00 C ATOM 22 C ARG A 2 13.308 -9.028 -2.815 1.00 0.00 C ATOM 23 O ARG A 2 12.875 -9.924 -3.538 1.00 0.00 O ATOM 24 CB ARG A 2 15.472 -7.817 -3.149 1.00 0.00 C ATOM 25 CG ARG A 2 16.252 -8.656 -4.148 1.00 0.00 C ATOM 26 CD ARG A 2 16.389 -7.945 -5.485 1.00 0.00 C ATOM 27 NE ARG A 2 16.658 -8.880 -6.575 1.00 0.00 N ATOM 28 CZ ARG A 2 16.844 -8.515 -7.844 1.00 0.00 C ATOM 29 NH1 ARG A 2 16.797 -7.235 -8.195 1.00 0.00 N ATOM 30 NH2 ARG A 2 17.081 -9.436 -8.768 1.00 0.00 N ATOM 0 H ARG A 2 13.903 -6.158 -2.100 1.00 0.00 H new ATOM 0 HA ARG A 2 13.794 -7.796 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.855 -6.797 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 2 15.647 -8.205 -2.146 1.00 0.00 H new ATOM 0 HG2 ARG A 2 17.242 -8.874 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 2 15.749 -9.612 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 2 15.474 -7.393 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.196 -7.214 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 2 16.707 -9.874 -6.351 1.00 0.00 H new ATOM 0 HH11 ARG A 2 16.617 -6.519 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 2 16.941 -6.968 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 2 17.121 -10.421 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 2 17.224 -9.159 -9.739 1.00 0.00 H new ATOM 44 N LYS A 3 13.236 -9.071 -1.488 1.00 0.00 N ATOM 45 CA LYS A 3 12.631 -10.202 -0.793 1.00 0.00 C ATOM 46 C LYS A 3 12.437 -9.889 0.690 1.00 0.00 C ATOM 47 O LYS A 3 13.321 -10.139 1.508 1.00 0.00 O ATOM 48 CB LYS A 3 13.497 -11.454 -0.963 1.00 0.00 C ATOM 49 CG LYS A 3 12.941 -12.442 -1.977 1.00 0.00 C ATOM 50 CD LYS A 3 14.051 -13.111 -2.772 1.00 0.00 C ATOM 51 CE LYS A 3 14.383 -14.489 -2.219 1.00 0.00 C ATOM 52 NZ LYS A 3 15.413 -14.424 -1.147 1.00 0.00 N ATOM 0 H LYS A 3 13.588 -8.337 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 3 11.651 -10.389 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.499 -11.154 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.596 -11.952 0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.353 -13.201 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.266 -11.924 -2.658 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.749 -13.200 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.943 -12.485 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.477 -14.950 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.740 -15.128 -3.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.611 -15.383 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.286 -14.008 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.063 -13.835 -0.364 1.00 0.00 H new ATOM 66 N LEU A 4 11.273 -9.341 1.025 1.00 0.00 N ATOM 67 CA LEU A 4 10.957 -8.994 2.408 1.00 0.00 C ATOM 68 C LEU A 4 9.756 -9.793 2.901 1.00 0.00 C ATOM 69 O LEU A 4 8.834 -10.080 2.138 1.00 0.00 O ATOM 70 CB LEU A 4 10.669 -7.494 2.535 1.00 0.00 C ATOM 71 CG LEU A 4 11.487 -6.583 1.613 1.00 0.00 C ATOM 72 CD1 LEU A 4 11.207 -5.121 1.925 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.974 -6.884 1.745 1.00 0.00 C ATOM 0 H LEU A 4 10.532 -9.127 0.358 1.00 0.00 H new ATOM 0 HA LEU A 4 11.822 -9.241 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.611 -7.327 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.850 -7.193 3.567 1.00 0.00 H new ATOM 0 HG LEU A 4 11.189 -6.778 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.796 -4.488 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.147 -4.914 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.477 -4.912 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.538 -6.227 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.289 -6.718 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.161 -7.922 1.471 1.00 0.00 H new ATOM 85 N SER A 5 9.770 -10.146 4.182 1.00 0.00 N ATOM 86 CA SER A 5 8.677 -10.906 4.781 1.00 0.00 C ATOM 87 C SER A 5 7.367 -10.142 4.664 1.00 0.00 C ATOM 88 O SER A 5 7.365 -8.923 4.490 1.00 0.00 O ATOM 89 CB SER A 5 8.979 -11.202 6.250 1.00 0.00 C ATOM 90 OG SER A 5 10.134 -12.013 6.381 1.00 0.00 O ATOM 0 H SER A 5 10.527 -9.918 4.827 1.00 0.00 H new ATOM 0 HA SER A 5 8.580 -11.849 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.125 -10.266 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.125 -11.703 6.706 1.00 0.00 H new ATOM 0 HG SER A 5 10.306 -12.186 7.330 1.00 0.00 H new ATOM 96 N ASP A 6 6.249 -10.857 4.768 1.00 0.00 N ATOM 97 CA ASP A 6 4.933 -10.215 4.681 1.00 0.00 C ATOM 98 C ASP A 6 4.807 -9.129 5.742 1.00 0.00 C ATOM 99 O ASP A 6 4.078 -8.154 5.567 1.00 0.00 O ATOM 100 CB ASP A 6 3.778 -11.220 4.839 1.00 0.00 C ATOM 101 CG ASP A 6 4.092 -12.607 4.303 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.256 -12.746 3.073 1.00 0.00 O ATOM 103 OD2 ASP A 6 4.176 -13.552 5.116 1.00 0.00 O ATOM 0 H ASP A 6 6.223 -11.867 4.911 1.00 0.00 H new ATOM 0 HA ASP A 6 4.859 -9.777 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.520 -11.299 5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.899 -10.832 4.324 1.00 0.00 H new ATOM 108 N GLU A 7 5.535 -9.297 6.842 1.00 0.00 N ATOM 109 CA GLU A 7 5.511 -8.322 7.920 1.00 0.00 C ATOM 110 C GLU A 7 6.275 -7.071 7.511 1.00 0.00 C ATOM 111 O GLU A 7 5.904 -5.960 7.876 1.00 0.00 O ATOM 112 CB GLU A 7 6.105 -8.925 9.198 1.00 0.00 C ATOM 113 CG GLU A 7 5.082 -9.131 10.303 1.00 0.00 C ATOM 114 CD GLU A 7 5.674 -8.939 11.686 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.584 -9.710 12.054 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.226 -8.017 12.400 1.00 0.00 O ATOM 0 H GLU A 7 6.146 -10.097 7.007 1.00 0.00 H new ATOM 0 HA GLU A 7 4.476 -8.046 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.567 -9.883 8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.897 -8.272 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.257 -8.433 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.666 -10.135 10.226 1.00 0.00 H new ATOM 123 N LEU A 8 7.337 -7.269 6.740 1.00 0.00 N ATOM 124 CA LEU A 8 8.156 -6.163 6.259 1.00 0.00 C ATOM 125 C LEU A 8 7.500 -5.491 5.061 1.00 0.00 C ATOM 126 O LEU A 8 7.560 -4.271 4.905 1.00 0.00 O ATOM 127 CB LEU A 8 9.547 -6.662 5.879 1.00 0.00 C ATOM 128 CG LEU A 8 10.544 -6.726 7.036 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.963 -5.328 7.457 1.00 0.00 C ATOM 130 CD2 LEU A 8 9.956 -7.489 8.216 1.00 0.00 C ATOM 0 H LEU A 8 7.652 -8.189 6.433 1.00 0.00 H new ATOM 0 HA LEU A 8 8.248 -5.431 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.454 -7.657 5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.952 -6.011 5.105 1.00 0.00 H new ATOM 0 HG LEU A 8 11.429 -7.262 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.673 -5.394 8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.432 -4.819 6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.086 -4.766 7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.683 -7.522 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.052 -6.987 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.712 -8.505 7.907 1.00 0.00 H new ATOM 142 N LEU A 9 6.872 -6.301 4.217 1.00 0.00 N ATOM 143 CA LEU A 9 6.196 -5.800 3.028 1.00 0.00 C ATOM 144 C LEU A 9 4.884 -5.125 3.396 1.00 0.00 C ATOM 145 O LEU A 9 4.583 -4.027 2.925 1.00 0.00 O ATOM 146 CB LEU A 9 5.946 -6.947 2.043 1.00 0.00 C ATOM 147 CG LEU A 9 5.138 -6.577 0.797 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.016 -5.861 -0.217 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.516 -7.822 0.181 1.00 0.00 C ATOM 0 H LEU A 9 6.817 -7.313 4.336 1.00 0.00 H new ATOM 0 HA LEU A 9 6.838 -5.059 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.909 -7.347 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.426 -7.748 2.568 1.00 0.00 H new ATOM 0 HG LEU A 9 4.337 -5.900 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.423 -5.606 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.416 -4.950 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.839 -6.513 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.944 -7.543 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.304 -8.521 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.854 -8.295 0.906 1.00 0.00 H new ATOM 161 N ILE A 10 4.104 -5.783 4.240 1.00 0.00 N ATOM 162 CA ILE A 10 2.827 -5.233 4.659 1.00 0.00 C ATOM 163 C ILE A 10 3.033 -3.993 5.521 1.00 0.00 C ATOM 164 O ILE A 10 2.256 -3.041 5.448 1.00 0.00 O ATOM 165 CB ILE A 10 1.979 -6.286 5.401 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.687 -7.449 4.459 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.675 -5.686 5.917 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.302 -8.714 5.176 1.00 0.00 C ATOM 0 H ILE A 10 4.331 -6.691 4.645 1.00 0.00 H new ATOM 0 HA ILE A 10 2.278 -4.940 3.764 1.00 0.00 H new ATOM 0 HB ILE A 10 2.542 -6.642 6.264 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.882 -7.165 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.568 -7.641 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.101 -6.454 6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.897 -4.872 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.094 -5.302 5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.108 -9.501 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.115 -9.021 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.404 -8.538 5.768 1.00 0.00 H new ATOM 180 N GLU A 11 4.097 -3.995 6.314 1.00 0.00 N ATOM 181 CA GLU A 11 4.411 -2.852 7.159 1.00 0.00 C ATOM 182 C GLU A 11 4.669 -1.619 6.301 1.00 0.00 C ATOM 183 O GLU A 11 4.426 -0.495 6.728 1.00 0.00 O ATOM 184 CB GLU A 11 5.630 -3.142 8.030 1.00 0.00 C ATOM 185 CG GLU A 11 5.285 -3.754 9.378 1.00 0.00 C ATOM 186 CD GLU A 11 5.252 -2.727 10.493 1.00 0.00 C ATOM 187 OE1 GLU A 11 6.329 -2.203 10.850 1.00 0.00 O ATOM 188 OE2 GLU A 11 4.150 -2.447 11.010 1.00 0.00 O ATOM 0 H GLU A 11 4.754 -4.772 6.389 1.00 0.00 H new ATOM 0 HA GLU A 11 3.557 -2.663 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.296 -3.818 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.179 -2.214 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.314 -4.245 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.016 -4.525 9.621 1.00 0.00 H new ATOM 195 N SER A 12 5.152 -1.844 5.079 1.00 0.00 N ATOM 196 CA SER A 12 5.425 -0.749 4.160 1.00 0.00 C ATOM 197 C SER A 12 4.113 -0.180 3.638 1.00 0.00 C ATOM 198 O SER A 12 3.919 1.035 3.601 1.00 0.00 O ATOM 199 CB SER A 12 6.294 -1.227 2.996 1.00 0.00 C ATOM 200 OG SER A 12 7.105 -2.324 3.380 1.00 0.00 O ATOM 0 H SER A 12 5.360 -2.771 4.708 1.00 0.00 H new ATOM 0 HA SER A 12 5.968 0.031 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.659 -1.516 2.159 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.925 -0.408 2.649 1.00 0.00 H new ATOM 0 HG SER A 12 6.575 -3.148 3.353 1.00 0.00 H new ATOM 206 N TYR A 13 3.206 -1.074 3.257 1.00 0.00 N ATOM 207 CA TYR A 13 1.898 -0.666 2.761 1.00 0.00 C ATOM 208 C TYR A 13 1.124 0.034 3.867 1.00 0.00 C ATOM 209 O TYR A 13 0.418 1.014 3.629 1.00 0.00 O ATOM 210 CB TYR A 13 1.111 -1.879 2.268 1.00 0.00 C ATOM 211 CG TYR A 13 -0.202 -1.523 1.608 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.230 -0.828 0.406 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.413 -1.881 2.189 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.427 -0.501 -0.200 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.615 -1.556 1.588 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.617 -0.866 0.394 1.00 0.00 C ATOM 217 OH TYR A 13 -3.811 -0.541 -0.207 1.00 0.00 O ATOM 0 H TYR A 13 3.353 -2.083 3.282 1.00 0.00 H new ATOM 0 HA TYR A 13 2.040 0.021 1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.724 -2.436 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.916 -2.542 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.699 -0.539 -0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.415 -2.421 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.431 0.039 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.548 -1.841 2.051 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.920 -1.069 -1.025 1.00 0.00 H new ATOM 227 N PHE A 14 1.272 -0.480 5.082 1.00 0.00 N ATOM 228 CA PHE A 14 0.601 0.084 6.244 1.00 0.00 C ATOM 229 C PHE A 14 1.243 1.409 6.643 1.00 0.00 C ATOM 230 O PHE A 14 0.552 2.400 6.888 1.00 0.00 O ATOM 231 CB PHE A 14 0.655 -0.909 7.411 1.00 0.00 C ATOM 232 CG PHE A 14 -0.221 -2.138 7.253 1.00 0.00 C ATOM 233 CD1 PHE A 14 -1.075 -2.294 6.164 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.181 -3.144 8.208 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.863 -3.424 6.035 1.00 0.00 C ATOM 236 CE2 PHE A 14 -0.968 -4.276 8.082 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.809 -4.416 6.996 1.00 0.00 C ATOM 0 H PHE A 14 1.855 -1.292 5.287 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.442 0.273 5.989 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.687 -1.233 7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.363 -0.389 8.324 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.123 -1.522 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.473 -3.042 9.061 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.520 -3.531 5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.924 -5.050 8.834 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.423 -5.299 6.898 1.00 0.00 H new ATOM 247 N LYS A 15 2.569 1.422 6.695 1.00 0.00 N ATOM 248 CA LYS A 15 3.307 2.625 7.051 1.00 0.00 C ATOM 249 C LYS A 15 3.091 3.709 6.004 1.00 0.00 C ATOM 250 O LYS A 15 2.843 4.867 6.337 1.00 0.00 O ATOM 251 CB LYS A 15 4.801 2.317 7.183 1.00 0.00 C ATOM 252 CG LYS A 15 5.186 1.738 8.535 1.00 0.00 C ATOM 253 CD LYS A 15 6.684 1.833 8.775 1.00 0.00 C ATOM 254 CE LYS A 15 7.429 0.688 8.110 1.00 0.00 C ATOM 255 NZ LYS A 15 8.892 0.745 8.379 1.00 0.00 N ATOM 0 H LYS A 15 3.155 0.612 6.495 1.00 0.00 H new ATOM 0 HA LYS A 15 2.936 2.983 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.089 1.614 6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.368 3.232 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.655 2.270 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.873 0.695 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.056 2.783 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.883 1.824 9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.031 -0.261 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.257 0.719 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.363 -0.053 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.278 1.639 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.059 0.689 9.404 1.00 0.00 H new ATOM 269 N ALA A 16 3.191 3.321 4.736 1.00 0.00 N ATOM 270 CA ALA A 16 3.012 4.255 3.632 1.00 0.00 C ATOM 271 C ALA A 16 1.629 4.892 3.653 1.00 0.00 C ATOM 272 O ALA A 16 1.478 6.071 3.342 1.00 0.00 O ATOM 273 CB ALA A 16 3.252 3.558 2.303 1.00 0.00 C ATOM 0 H ALA A 16 3.395 2.364 4.448 1.00 0.00 H new ATOM 0 HA ALA A 16 3.746 5.052 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.114 4.270 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.269 3.168 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.545 2.736 2.190 1.00 0.00 H new ATOM 279 N THR A 17 0.620 4.113 4.021 1.00 0.00 N ATOM 280 CA THR A 17 -0.741 4.627 4.078 1.00 0.00 C ATOM 281 C THR A 17 -0.882 5.642 5.208 1.00 0.00 C ATOM 282 O THR A 17 -1.662 6.589 5.113 1.00 0.00 O ATOM 283 CB THR A 17 -1.741 3.487 4.267 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.422 2.721 5.414 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.798 2.544 3.085 1.00 0.00 C ATOM 0 H THR A 17 0.717 3.132 4.282 1.00 0.00 H new ATOM 0 HA THR A 17 -0.956 5.124 3.132 1.00 0.00 H new ATOM 0 HB THR A 17 -2.712 3.970 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.568 3.027 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.526 1.757 3.282 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.093 3.096 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.816 2.098 2.928 1.00 0.00 H new ATOM 293 N GLU A 18 -0.121 5.432 6.280 1.00 0.00 N ATOM 294 CA GLU A 18 -0.161 6.323 7.434 1.00 0.00 C ATOM 295 C GLU A 18 0.622 7.609 7.179 1.00 0.00 C ATOM 296 O GLU A 18 0.161 8.703 7.507 1.00 0.00 O ATOM 297 CB GLU A 18 0.388 5.603 8.671 1.00 0.00 C ATOM 298 CG GLU A 18 -0.687 5.210 9.670 1.00 0.00 C ATOM 299 CD GLU A 18 -0.313 3.980 10.474 1.00 0.00 C ATOM 300 OE1 GLU A 18 -0.440 2.859 9.937 1.00 0.00 O ATOM 301 OE2 GLU A 18 0.108 4.138 11.638 1.00 0.00 O ATOM 0 H GLU A 18 0.530 4.652 6.372 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.201 6.599 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.922 4.708 8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.114 6.249 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.868 6.043 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.620 5.023 9.139 1.00 0.00 H new ATOM 308 N MET A 19 1.809 7.472 6.604 1.00 0.00 N ATOM 309 CA MET A 19 2.660 8.619 6.319 1.00 0.00 C ATOM 310 C MET A 19 2.292 9.297 4.997 1.00 0.00 C ATOM 311 O MET A 19 2.716 10.421 4.731 1.00 0.00 O ATOM 312 CB MET A 19 4.125 8.181 6.290 1.00 0.00 C ATOM 313 CG MET A 19 4.497 7.321 5.092 1.00 0.00 C ATOM 314 SD MET A 19 6.269 7.011 4.984 1.00 0.00 S ATOM 315 CE MET A 19 6.300 5.222 5.019 1.00 0.00 C ATOM 0 H MET A 19 2.205 6.575 6.325 1.00 0.00 H new ATOM 0 HA MET A 19 2.506 9.349 7.114 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.758 9.069 6.296 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.345 7.627 7.203 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.969 6.370 5.155 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.162 7.812 4.179 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.331 4.878 5.103 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.727 4.865 5.875 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.861 4.832 4.100 1.00 0.00 H new ATOM 325 N ASN A 20 1.516 8.604 4.163 1.00 0.00 N ATOM 326 CA ASN A 20 1.107 9.130 2.859 1.00 0.00 C ATOM 327 C ASN A 20 2.268 9.055 1.875 1.00 0.00 C ATOM 328 O ASN A 20 2.446 9.936 1.034 1.00 0.00 O ATOM 329 CB ASN A 20 0.600 10.573 2.968 1.00 0.00 C ATOM 330 CG ASN A 20 -0.292 10.790 4.175 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.440 10.345 4.201 1.00 0.00 O ATOM 332 ND2 ASN A 20 0.231 11.478 5.183 1.00 0.00 N ATOM 0 H ASN A 20 1.156 7.672 4.368 1.00 0.00 H new ATOM 0 HA ASN A 20 0.285 8.514 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.452 11.250 3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.049 10.830 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.323 11.656 6.021 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.187 11.829 5.120 1.00 0.00 H new ATOM 339 N LEU A 21 3.055 7.988 1.994 1.00 0.00 N ATOM 340 CA LEU A 21 4.210 7.770 1.126 1.00 0.00 C ATOM 341 C LEU A 21 3.788 7.778 -0.343 1.00 0.00 C ATOM 342 O LEU A 21 2.622 7.548 -0.659 1.00 0.00 O ATOM 343 CB LEU A 21 4.868 6.431 1.483 1.00 0.00 C ATOM 344 CG LEU A 21 6.362 6.318 1.163 1.00 0.00 C ATOM 345 CD1 LEU A 21 7.007 5.240 2.025 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.583 6.026 -0.320 1.00 0.00 C ATOM 0 H LEU A 21 2.912 7.255 2.689 1.00 0.00 H new ATOM 0 HA LEU A 21 4.927 8.577 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.729 6.252 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.341 5.636 0.955 1.00 0.00 H new ATOM 0 HG LEU A 21 6.834 7.274 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.068 5.171 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.887 5.496 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.528 4.281 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.652 5.951 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.097 5.086 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.158 6.833 -0.917 1.00 0.00 H new ATOM 358 N ASN A 22 4.744 8.051 -1.239 1.00 0.00 N ATOM 359 CA ASN A 22 4.480 8.098 -2.684 1.00 0.00 C ATOM 360 C ASN A 22 3.572 6.952 -3.143 1.00 0.00 C ATOM 361 O ASN A 22 3.748 5.804 -2.737 1.00 0.00 O ATOM 362 CB ASN A 22 5.797 8.056 -3.461 1.00 0.00 C ATOM 363 CG ASN A 22 5.625 8.448 -4.916 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.657 9.114 -5.281 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.567 8.034 -5.756 1.00 0.00 N ATOM 0 H ASN A 22 5.713 8.244 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 22 3.960 9.034 -2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.515 8.727 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.216 7.051 -3.406 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.504 8.267 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.353 7.484 -5.410 1.00 0.00 H new ATOM 372 N ARG A 23 2.594 7.283 -3.981 1.00 0.00 N ATOM 373 CA ARG A 23 1.645 6.296 -4.490 1.00 0.00 C ATOM 374 C ARG A 23 2.352 5.133 -5.175 1.00 0.00 C ATOM 375 O ARG A 23 1.833 4.018 -5.209 1.00 0.00 O ATOM 376 CB ARG A 23 0.666 6.956 -5.463 1.00 0.00 C ATOM 377 CG ARG A 23 -0.664 6.229 -5.574 1.00 0.00 C ATOM 378 CD ARG A 23 -1.216 6.280 -6.991 1.00 0.00 C ATOM 379 NE ARG A 23 -2.644 6.588 -7.011 1.00 0.00 N ATOM 380 CZ ARG A 23 -3.306 6.989 -8.097 1.00 0.00 C ATOM 381 NH1 ARG A 23 -2.679 7.133 -9.259 1.00 0.00 N ATOM 382 NH2 ARG A 23 -4.605 7.247 -8.020 1.00 0.00 N ATOM 0 H ARG A 23 2.437 8.231 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 23 1.096 5.898 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.484 7.982 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.126 7.007 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.537 5.190 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.382 6.677 -4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.675 7.033 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.045 5.322 -7.482 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.167 6.490 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.681 6.936 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.196 7.440 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.095 7.139 -7.132 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.114 7.554 -8.849 1.00 0.00 H new ATOM 396 N ASP A 24 3.533 5.392 -5.722 1.00 0.00 N ATOM 397 CA ASP A 24 4.288 4.352 -6.403 1.00 0.00 C ATOM 398 C ASP A 24 4.735 3.278 -5.416 1.00 0.00 C ATOM 399 O ASP A 24 4.760 2.091 -5.746 1.00 0.00 O ATOM 400 CB ASP A 24 5.496 4.955 -7.129 1.00 0.00 C ATOM 401 CG ASP A 24 5.392 4.815 -8.636 1.00 0.00 C ATOM 402 OD1 ASP A 24 5.865 3.792 -9.171 1.00 0.00 O ATOM 403 OD2 ASP A 24 4.836 5.730 -9.279 1.00 0.00 O ATOM 0 H ASP A 24 3.985 6.306 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 24 3.639 3.885 -7.144 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.583 6.010 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.406 4.465 -6.783 1.00 0.00 H new ATOM 408 N PHE A 25 5.065 3.697 -4.202 1.00 0.00 N ATOM 409 CA PHE A 25 5.485 2.768 -3.166 1.00 0.00 C ATOM 410 C PHE A 25 4.272 2.018 -2.644 1.00 0.00 C ATOM 411 O PHE A 25 4.302 0.802 -2.464 1.00 0.00 O ATOM 412 CB PHE A 25 6.178 3.514 -2.024 1.00 0.00 C ATOM 413 CG PHE A 25 7.143 2.664 -1.249 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.115 1.925 -1.904 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.076 2.601 0.133 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.004 1.141 -1.194 1.00 0.00 C ATOM 417 CE2 PHE A 25 7.964 1.819 0.849 1.00 0.00 C ATOM 418 CZ PHE A 25 8.928 1.087 0.183 1.00 0.00 C ATOM 0 H PHE A 25 5.049 4.675 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 25 6.196 2.059 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.710 4.373 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.421 3.903 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.178 1.962 -2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.322 3.169 0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.758 0.571 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.904 1.781 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.621 0.473 0.739 1.00 0.00 H new ATOM 428 N ILE A 26 3.192 2.759 -2.426 1.00 0.00 N ATOM 429 CA ILE A 26 1.947 2.181 -1.949 1.00 0.00 C ATOM 430 C ILE A 26 1.419 1.163 -2.957 1.00 0.00 C ATOM 431 O ILE A 26 1.028 0.058 -2.587 1.00 0.00 O ATOM 432 CB ILE A 26 0.888 3.284 -1.701 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.367 4.228 -0.593 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.469 2.683 -1.338 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.383 5.331 -0.261 1.00 0.00 C ATOM 0 H ILE A 26 3.157 3.768 -2.574 1.00 0.00 H new ATOM 0 HA ILE A 26 2.144 1.675 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 26 0.763 3.849 -2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.563 3.646 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.313 4.677 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.189 3.484 -1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.816 2.048 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.372 2.087 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.792 5.957 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.205 5.939 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.557 4.892 0.073 1.00 0.00 H new ATOM 447 N GLU A 27 1.420 1.541 -4.230 1.00 0.00 N ATOM 448 CA GLU A 27 0.948 0.652 -5.281 1.00 0.00 C ATOM 449 C GLU A 27 1.932 -0.490 -5.492 1.00 0.00 C ATOM 450 O GLU A 27 1.542 -1.612 -5.818 1.00 0.00 O ATOM 451 CB GLU A 27 0.747 1.428 -6.586 1.00 0.00 C ATOM 452 CG GLU A 27 -0.507 1.028 -7.347 1.00 0.00 C ATOM 453 CD GLU A 27 -1.055 2.154 -8.202 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.260 3.021 -8.621 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.278 2.169 -8.451 1.00 0.00 O ATOM 0 H GLU A 27 1.741 2.452 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.010 0.233 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.701 2.494 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.615 1.275 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.284 0.170 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.272 0.710 -6.638 1.00 0.00 H new ATOM 462 N LEU A 28 3.211 -0.195 -5.295 1.00 0.00 N ATOM 463 CA LEU A 28 4.260 -1.189 -5.450 1.00 0.00 C ATOM 464 C LEU A 28 4.151 -2.244 -4.352 1.00 0.00 C ATOM 465 O LEU A 28 4.200 -3.445 -4.621 1.00 0.00 O ATOM 466 CB LEU A 28 5.632 -0.492 -5.425 1.00 0.00 C ATOM 467 CG LEU A 28 6.844 -1.377 -5.111 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.098 -0.803 -5.748 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.026 -1.509 -3.607 1.00 0.00 C ATOM 0 H LEU A 28 3.546 0.730 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 28 4.148 -1.696 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.794 -0.023 -6.396 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.594 0.309 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 28 6.667 -2.369 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.949 -1.443 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.966 -0.752 -6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.279 0.198 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.890 -2.140 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.184 -0.522 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.134 -1.959 -3.171 1.00 0.00 H new ATOM 481 N ILE A 29 3.984 -1.788 -3.117 1.00 0.00 N ATOM 482 CA ILE A 29 3.849 -2.695 -1.991 1.00 0.00 C ATOM 483 C ILE A 29 2.518 -3.432 -2.070 1.00 0.00 C ATOM 484 O ILE A 29 2.410 -4.589 -1.662 1.00 0.00 O ATOM 485 CB ILE A 29 3.950 -1.947 -0.646 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.233 -1.114 -0.595 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.914 -2.931 0.512 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.095 0.164 0.204 1.00 0.00 C ATOM 0 H ILE A 29 3.939 -0.799 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 29 4.668 -3.412 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 29 3.095 -1.276 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.031 -1.718 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.536 -0.866 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.986 -2.387 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.978 -3.489 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.752 -3.623 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.043 0.702 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.320 0.788 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.823 -0.077 1.232 1.00 0.00 H new ATOM 500 N GLU A 30 1.510 -2.759 -2.615 1.00 0.00 N ATOM 501 CA GLU A 30 0.189 -3.353 -2.771 1.00 0.00 C ATOM 502 C GLU A 30 0.185 -4.326 -3.942 1.00 0.00 C ATOM 503 O GLU A 30 -0.528 -5.329 -3.930 1.00 0.00 O ATOM 504 CB GLU A 30 -0.864 -2.265 -2.992 1.00 0.00 C ATOM 505 CG GLU A 30 -2.278 -2.710 -2.660 1.00 0.00 C ATOM 506 CD GLU A 30 -3.325 -1.958 -3.459 1.00 0.00 C ATOM 507 OE1 GLU A 30 -2.986 -1.447 -4.547 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.482 -1.882 -2.997 1.00 0.00 O ATOM 0 H GLU A 30 1.584 -1.801 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.056 -3.896 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.612 -1.398 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.828 -1.943 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.375 -3.778 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.462 -2.562 -1.596 1.00 0.00 H new ATOM 515 N ASN A 31 0.991 -4.020 -4.955 1.00 0.00 N ATOM 516 CA ASN A 31 1.091 -4.864 -6.136 1.00 0.00 C ATOM 517 C ASN A 31 1.800 -6.174 -5.811 1.00 0.00 C ATOM 518 O ASN A 31 1.546 -7.199 -6.443 1.00 0.00 O ATOM 519 CB ASN A 31 1.831 -4.123 -7.251 1.00 0.00 C ATOM 520 CG ASN A 31 0.910 -3.245 -8.074 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.138 -2.808 -7.598 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.296 -2.981 -9.316 1.00 0.00 N ATOM 0 H ASN A 31 1.585 -3.191 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 31 0.082 -5.099 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.619 -3.509 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.317 -4.848 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.716 -2.395 -9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.173 -3.364 -9.670 1.00 0.00 H new ATOM 529 N GLU A 32 2.678 -6.142 -4.811 1.00 0.00 N ATOM 530 CA GLU A 32 3.400 -7.337 -4.400 1.00 0.00 C ATOM 531 C GLU A 32 2.508 -8.186 -3.511 1.00 0.00 C ATOM 532 O GLU A 32 2.380 -9.395 -3.705 1.00 0.00 O ATOM 533 CB GLU A 32 4.685 -6.962 -3.658 1.00 0.00 C ATOM 534 CG GLU A 32 5.484 -8.163 -3.176 1.00 0.00 C ATOM 535 CD GLU A 32 6.191 -8.885 -4.307 1.00 0.00 C ATOM 536 OE1 GLU A 32 7.135 -8.304 -4.884 1.00 0.00 O ATOM 537 OE2 GLU A 32 5.801 -10.029 -4.616 1.00 0.00 O ATOM 0 H GLU A 32 2.904 -5.304 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 32 3.674 -7.908 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.312 -6.360 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.431 -6.338 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.221 -7.834 -2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.816 -8.858 -2.667 1.00 0.00 H new ATOM 544 N ILE A 33 1.873 -7.529 -2.550 1.00 0.00 N ATOM 545 CA ILE A 33 0.964 -8.198 -1.636 1.00 0.00 C ATOM 546 C ILE A 33 -0.217 -8.777 -2.411 1.00 0.00 C ATOM 547 O ILE A 33 -0.756 -9.824 -2.051 1.00 0.00 O ATOM 548 CB ILE A 33 0.457 -7.217 -0.555 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.639 -6.637 0.226 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.529 -7.896 0.395 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.326 -5.325 0.911 1.00 0.00 C ATOM 0 H ILE A 33 1.973 -6.527 -2.385 1.00 0.00 H new ATOM 0 HA ILE A 33 1.502 -9.007 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.070 -6.405 -1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.959 -7.361 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.477 -6.491 -0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.866 -7.179 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.386 -8.261 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.038 -8.734 0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.209 -4.973 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.035 -4.586 0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.509 -5.469 1.617 1.00 0.00 H new ATOM 563 N LYS A 34 -0.607 -8.095 -3.485 1.00 0.00 N ATOM 564 CA LYS A 34 -1.712 -8.552 -4.315 1.00 0.00 C ATOM 565 C LYS A 34 -1.311 -9.821 -5.058 1.00 0.00 C ATOM 566 O LYS A 34 -2.042 -10.812 -5.057 1.00 0.00 O ATOM 567 CB LYS A 34 -2.122 -7.459 -5.306 1.00 0.00 C ATOM 568 CG LYS A 34 -3.308 -6.632 -4.839 1.00 0.00 C ATOM 569 CD LYS A 34 -3.791 -5.687 -5.928 1.00 0.00 C ATOM 570 CE LYS A 34 -4.215 -4.345 -5.354 1.00 0.00 C ATOM 571 NZ LYS A 34 -5.173 -3.635 -6.246 1.00 0.00 N ATOM 0 H LYS A 34 -0.174 -7.226 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.567 -8.773 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.273 -6.798 -5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.365 -7.920 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.121 -7.295 -4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.028 -6.058 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.997 -5.536 -6.659 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.630 -6.139 -6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.674 -4.497 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.334 -3.722 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.437 -2.725 -5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.727 -3.467 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.025 -4.217 -6.374 1.00 0.00 H new ATOM 585 N ARG A 35 -0.132 -9.788 -5.677 1.00 0.00 N ATOM 586 CA ARG A 35 0.380 -10.942 -6.406 1.00 0.00 C ATOM 587 C ARG A 35 0.747 -12.066 -5.438 1.00 0.00 C ATOM 588 O ARG A 35 0.744 -13.241 -5.805 1.00 0.00 O ATOM 589 CB ARG A 35 1.605 -10.548 -7.236 1.00 0.00 C ATOM 590 CG ARG A 35 1.714 -11.297 -8.555 1.00 0.00 C ATOM 591 CD ARG A 35 2.504 -12.587 -8.402 1.00 0.00 C ATOM 592 NE ARG A 35 3.947 -12.354 -8.420 1.00 0.00 N ATOM 593 CZ ARG A 35 4.860 -13.320 -8.514 1.00 0.00 C ATOM 594 NH1 ARG A 35 4.491 -14.595 -8.601 1.00 0.00 N ATOM 595 NH2 ARG A 35 6.150 -13.012 -8.523 1.00 0.00 N ATOM 0 H ARG A 35 0.484 -8.975 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.402 -11.298 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.568 -9.478 -7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.505 -10.730 -6.649 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.716 -11.523 -8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.196 -10.660 -9.297 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.227 -13.072 -7.466 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.238 -13.272 -9.207 1.00 0.00 H new ATOM 0 HE ARG A 35 4.276 -11.391 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.501 -14.841 -8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.198 -15.327 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.442 -12.037 -8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.850 -13.750 -8.595 1.00 0.00 H new ATOM 609 N ARG A 36 1.059 -11.695 -4.195 1.00 0.00 N ATOM 610 CA ARG A 36 1.423 -12.662 -3.167 1.00 0.00 C ATOM 611 C ARG A 36 0.196 -13.384 -2.595 1.00 0.00 C ATOM 612 O ARG A 36 0.331 -14.216 -1.699 1.00 0.00 O ATOM 613 CB ARG A 36 2.177 -11.954 -2.038 1.00 0.00 C ATOM 614 CG ARG A 36 3.629 -11.639 -2.375 1.00 0.00 C ATOM 615 CD ARG A 36 4.596 -12.242 -1.365 1.00 0.00 C ATOM 616 NE ARG A 36 5.345 -13.365 -1.926 1.00 0.00 N ATOM 617 CZ ARG A 36 6.276 -14.050 -1.260 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.578 -13.736 -0.005 1.00 0.00 N ATOM 619 NH2 ARG A 36 6.906 -15.055 -1.853 1.00 0.00 N ATOM 0 H ARG A 36 1.066 -10.725 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 36 2.062 -13.413 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.660 -11.026 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.148 -12.579 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.861 -12.020 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.767 -10.558 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.292 -11.475 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.042 -12.578 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 36 5.143 -13.642 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.096 -12.965 0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.291 -14.266 0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.678 -15.302 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.618 -15.580 -1.346 1.00 0.00 H new ATOM 633 N SER A 37 -1.001 -13.062 -3.097 1.00 0.00 N ATOM 634 CA SER A 37 -2.222 -13.687 -2.604 1.00 0.00 C ATOM 635 C SER A 37 -2.416 -13.364 -1.128 1.00 0.00 C ATOM 636 O SER A 37 -2.926 -14.180 -0.360 1.00 0.00 O ATOM 637 CB SER A 37 -2.172 -15.203 -2.807 1.00 0.00 C ATOM 638 OG SER A 37 -3.396 -15.809 -2.430 1.00 0.00 O ATOM 0 H SER A 37 -1.145 -12.377 -3.839 1.00 0.00 H new ATOM 0 HA SER A 37 -3.065 -13.290 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.959 -15.426 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.357 -15.625 -2.219 1.00 0.00 H new ATOM 0 HG SER A 37 -3.624 -15.544 -1.514 1.00 0.00 H new ATOM 644 N LEU A 38 -1.994 -12.165 -0.741 1.00 0.00 N ATOM 645 CA LEU A 38 -2.103 -11.719 0.641 1.00 0.00 C ATOM 646 C LEU A 38 -2.890 -10.414 0.732 1.00 0.00 C ATOM 647 O LEU A 38 -2.728 -9.653 1.683 1.00 0.00 O ATOM 648 CB LEU A 38 -0.708 -11.537 1.229 1.00 0.00 C ATOM 649 CG LEU A 38 -0.624 -11.711 2.741 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.969 -13.139 3.127 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.760 -11.344 3.241 1.00 0.00 C ATOM 0 H LEU A 38 -1.571 -11.482 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.641 -12.476 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.034 -12.252 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.347 -10.541 0.971 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.346 -11.042 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.905 -13.249 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.982 -13.370 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.268 -13.824 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.802 -11.474 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.501 -11.989 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.973 -10.304 2.992 1.00 0.00 H new ATOM 663 N GLY A 39 -3.746 -10.158 -0.259 1.00 0.00 N ATOM 664 CA GLY A 39 -4.537 -8.941 -0.248 1.00 0.00 C ATOM 665 C GLY A 39 -5.448 -8.869 0.963 1.00 0.00 C ATOM 666 O GLY A 39 -5.769 -7.788 1.448 1.00 0.00 O ATOM 0 H GLY A 39 -3.903 -10.768 -1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.873 -8.077 -0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.137 -8.890 -1.157 1.00 0.00 H new ATOM 670 N HIS A 40 -5.860 -10.029 1.464 1.00 0.00 N ATOM 671 CA HIS A 40 -6.728 -10.084 2.636 1.00 0.00 C ATOM 672 C HIS A 40 -6.068 -9.406 3.837 1.00 0.00 C ATOM 673 O HIS A 40 -6.749 -8.958 4.760 1.00 0.00 O ATOM 674 CB HIS A 40 -7.065 -11.534 2.977 1.00 0.00 C ATOM 675 CG HIS A 40 -8.347 -11.686 3.736 1.00 0.00 C ATOM 676 ND1 HIS A 40 -9.505 -12.177 3.169 1.00 0.00 N ATOM 677 CD2 HIS A 40 -8.651 -11.407 5.027 1.00 0.00 C ATOM 678 CE1 HIS A 40 -10.465 -12.192 4.078 1.00 0.00 C ATOM 679 NE2 HIS A 40 -9.972 -11.731 5.213 1.00 0.00 N ATOM 0 H HIS A 40 -5.609 -10.940 1.079 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.648 -9.549 2.401 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.128 -12.111 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.251 -11.959 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.979 -11.005 5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.480 -12.525 3.919 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.489 -11.632 6.087 1.00 0.00 H new ATOM 688 N ILE A 41 -4.738 -9.339 3.819 1.00 0.00 N ATOM 689 CA ILE A 41 -3.983 -8.722 4.901 1.00 0.00 C ATOM 690 C ILE A 41 -4.057 -7.191 4.817 1.00 0.00 C ATOM 691 O ILE A 41 -3.986 -6.495 5.830 1.00 0.00 O ATOM 692 CB ILE A 41 -2.506 -9.215 4.874 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.890 -9.153 6.270 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.651 -8.437 3.872 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.558 -10.093 7.247 1.00 0.00 C ATOM 0 H ILE A 41 -4.162 -9.707 3.062 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.428 -9.021 5.850 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.523 -10.253 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.830 -9.397 6.205 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.960 -8.133 6.648 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.630 -8.819 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.064 -8.557 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.648 -7.380 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.078 -10.006 8.222 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.613 -9.835 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.465 -11.118 6.888 1.00 0.00 H new ATOM 707 N ILE A 42 -4.197 -6.683 3.593 1.00 0.00 N ATOM 708 CA ILE A 42 -4.278 -5.244 3.350 1.00 0.00 C ATOM 709 C ILE A 42 -5.729 -4.779 3.268 1.00 0.00 C ATOM 710 O ILE A 42 -6.651 -5.591 3.200 1.00 0.00 O ATOM 711 CB ILE A 42 -3.572 -4.847 2.032 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.006 -5.759 0.897 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.068 -4.906 2.177 1.00 0.00 C ATOM 714 CD1 ILE A 42 -3.525 -5.304 -0.464 1.00 0.00 C ATOM 0 H ILE A 42 -4.257 -7.252 2.749 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.779 -4.763 4.191 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.861 -3.821 1.802 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.632 -6.765 1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.094 -5.820 0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.600 -4.622 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.751 -4.219 2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.767 -5.920 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.872 -6.003 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.920 -4.311 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.436 -5.271 -0.472 1.00 0.00 H new ATOM 726 N SER A 43 -5.916 -3.464 3.251 1.00 0.00 N ATOM 727 CA SER A 43 -7.247 -2.878 3.151 1.00 0.00 C ATOM 728 C SER A 43 -7.470 -2.357 1.735 1.00 0.00 C ATOM 729 O SER A 43 -7.441 -1.150 1.490 1.00 0.00 O ATOM 730 CB SER A 43 -7.413 -1.744 4.166 1.00 0.00 C ATOM 731 OG SER A 43 -8.781 -1.514 4.454 1.00 0.00 O ATOM 0 H SER A 43 -5.160 -2.782 3.305 1.00 0.00 H new ATOM 0 HA SER A 43 -7.989 -3.645 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.882 -1.993 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.962 -0.832 3.774 1.00 0.00 H new ATOM 0 HG SER A 43 -8.860 -0.786 5.106 1.00 0.00 H new ATOM 737 N VAL A 44 -7.663 -3.283 0.802 1.00 0.00 N ATOM 738 CA VAL A 44 -7.862 -2.931 -0.603 1.00 0.00 C ATOM 739 C VAL A 44 -9.294 -2.471 -0.852 1.00 0.00 C ATOM 740 O VAL A 44 -10.167 -2.647 -0.004 1.00 0.00 O ATOM 741 CB VAL A 44 -7.548 -4.116 -1.553 1.00 0.00 C ATOM 742 CG1 VAL A 44 -7.110 -3.607 -2.911 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.483 -5.033 -0.974 1.00 0.00 C ATOM 0 H VAL A 44 -7.686 -4.285 0.992 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.168 -2.118 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.465 -4.694 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.894 -4.452 -3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.907 -3.005 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.214 -2.997 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.290 -5.851 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.564 -4.468 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.829 -5.438 -0.023 1.00 0.00 H new ATOM 753 N SER A 45 -9.528 -1.887 -2.022 1.00 0.00 N ATOM 754 CA SER A 45 -10.856 -1.407 -2.380 1.00 0.00 C ATOM 755 C SER A 45 -11.682 -2.522 -3.015 1.00 0.00 C ATOM 756 O SER A 45 -11.656 -2.710 -4.231 1.00 0.00 O ATOM 757 CB SER A 45 -10.752 -0.222 -3.341 1.00 0.00 C ATOM 758 OG SER A 45 -10.281 0.937 -2.675 1.00 0.00 O ATOM 0 H SER A 45 -8.816 -1.735 -2.737 1.00 0.00 H new ATOM 0 HA SER A 45 -11.356 -1.081 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.079 -0.473 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.729 -0.020 -3.781 1.00 0.00 H new ATOM 0 HG SER A 45 -10.222 1.679 -3.312 1.00 0.00 H new ATOM 764 N SER A 46 -12.410 -3.259 -2.184 1.00 0.00 N ATOM 765 CA SER A 46 -13.244 -4.355 -2.665 1.00 0.00 C ATOM 766 C SER A 46 -14.436 -4.579 -1.740 1.00 0.00 C ATOM 767 O SER A 46 -14.328 -4.238 -0.544 1.00 0.00 O ATOM 768 CB SER A 46 -12.420 -5.639 -2.773 1.00 0.00 C ATOM 769 OG SER A 46 -11.041 -5.350 -2.930 1.00 0.00 O ATOM 770 OXT SER A 46 -15.467 -5.094 -2.221 1.00 0.00 O ATOM 0 H SER A 46 -12.440 -3.118 -1.174 1.00 0.00 H new ATOM 0 HA SER A 46 -13.619 -4.087 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.568 -6.246 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.770 -6.229 -3.620 1.00 0.00 H new ATOM 0 HG SER A 46 -10.537 -6.188 -2.995 1.00 0.00 H new TER 776 SER A 46