USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 455 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 8 SER OG : rot -29:sc= 1.01 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.748! USER MOD Single : A 12 LYS NZ :NH3+ -140:sc= 0.809 (180deg=-1.45!) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= -4.14! (180deg=-4.29!) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= -1.98! (180deg=-4.14!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.91 F(o=-5.3!,f=-1.9) USER MOD Single : A 23 ASN : amide:sc= -0.0406 K(o=-0.041,f=-0.6) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 31 GLN : amide:sc= -25.4! C(o=-25!,f=-29!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 139:sc= -2.75! USER MOD Single : A 38 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.059) USER MOD Single : A 40 TYR OH : rot 176:sc= -5.85! USER MOD Single : A 42 GLN :FLIP amide:sc= -1.12 F(o=-2.1!,f=-1.1) USER MOD Single : A 43 HIS : no HE2:sc= -8.72! C(o=-8.7!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 48 ASN : amide:sc= -6.09! C(o=-6.1!,f=-6.9!) USER MOD Single : A 56 THR OG1 : rot 66:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.173 8.701 -8.802 1.00 0.00 N ATOM 2 CA PRO A 1 -3.977 9.559 -8.530 1.00 0.00 C ATOM 3 C PRO A 1 -3.734 9.638 -7.022 1.00 0.00 C ATOM 4 O PRO A 1 -4.660 9.675 -6.235 1.00 0.00 O ATOM 5 CB PRO A 1 -4.249 10.956 -9.083 1.00 0.00 C ATOM 6 CG PRO A 1 -5.641 10.940 -9.703 1.00 0.00 C ATOM 7 CD PRO A 1 -6.222 9.531 -9.469 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.533 8.311 -7.931 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.915 7.914 -9.397 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.094 9.134 -9.007 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.191 11.701 -8.289 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.501 11.226 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -6.275 11.700 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.591 11.165 -10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -7.116 9.586 -8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.519 9.080 -10.416 1.00 0.00 H new ATOM 17 N GLU A 2 -2.496 9.666 -6.611 1.00 0.00 N ATOM 18 CA GLU A 2 -2.195 9.744 -5.153 1.00 0.00 C ATOM 19 C GLU A 2 -2.672 8.464 -4.465 1.00 0.00 C ATOM 20 O GLU A 2 -3.839 8.130 -4.490 1.00 0.00 O ATOM 21 CB GLU A 2 -2.917 10.949 -4.547 1.00 0.00 C ATOM 22 CG GLU A 2 -2.019 11.608 -3.498 1.00 0.00 C ATOM 23 CD GLU A 2 -2.666 12.908 -3.017 1.00 0.00 C ATOM 24 OE1 GLU A 2 -3.305 13.563 -3.824 1.00 0.00 O ATOM 25 OE2 GLU A 2 -2.512 13.227 -1.849 1.00 0.00 O ATOM 0 H GLU A 2 -1.679 9.638 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.120 9.855 -5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.168 11.666 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.855 10.633 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.868 10.932 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.036 11.814 -3.922 1.00 0.00 H new ATOM 32 N PHE A 3 -1.773 7.745 -3.851 1.00 0.00 N ATOM 33 CA PHE A 3 -2.164 6.486 -3.162 1.00 0.00 C ATOM 34 C PHE A 3 -1.447 6.428 -1.813 1.00 0.00 C ATOM 35 O PHE A 3 -0.483 7.121 -1.580 1.00 0.00 O ATOM 36 CB PHE A 3 -1.772 5.293 -4.064 1.00 0.00 C ATOM 37 CG PHE A 3 -1.274 4.131 -3.274 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.015 4.209 -2.713 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.034 2.965 -3.141 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.498 3.134 -2.012 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.516 1.879 -2.448 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.254 1.956 -1.881 1.00 0.00 C ATOM 0 H PHE A 3 -0.781 7.977 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.238 6.446 -2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.636 4.986 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.002 5.609 -4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.569 5.111 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.021 2.909 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.479 3.200 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.097 0.974 -2.351 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.150 1.113 -1.340 1.00 0.00 H new ATOM 52 N LEU A 4 -1.925 5.609 -0.929 1.00 0.00 N ATOM 53 CA LEU A 4 -1.293 5.496 0.422 1.00 0.00 C ATOM 54 C LEU A 4 0.218 5.287 0.293 1.00 0.00 C ATOM 55 O LEU A 4 0.701 4.173 0.314 1.00 0.00 O ATOM 56 CB LEU A 4 -1.893 4.300 1.159 1.00 0.00 C ATOM 57 CG LEU A 4 -2.137 3.182 0.164 1.00 0.00 C ATOM 58 CD1 LEU A 4 -1.418 1.946 0.659 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.633 2.905 0.075 1.00 0.00 C ATOM 0 H LEU A 4 -2.733 5.004 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.481 6.417 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.217 3.964 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.827 4.585 1.642 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.768 3.461 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.579 1.126 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.351 2.153 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -1.806 1.667 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.812 2.102 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.007 2.609 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.151 3.806 -0.254 1.00 0.00 H new ATOM 71 N GLU A 5 0.977 6.346 0.200 1.00 0.00 N ATOM 72 CA GLU A 5 2.459 6.189 0.112 1.00 0.00 C ATOM 73 C GLU A 5 2.978 5.709 1.470 1.00 0.00 C ATOM 74 O GLU A 5 4.138 5.393 1.630 1.00 0.00 O ATOM 75 CB GLU A 5 3.100 7.535 -0.233 1.00 0.00 C ATOM 76 CG GLU A 5 2.510 8.076 -1.541 1.00 0.00 C ATOM 77 CD GLU A 5 1.278 8.927 -1.230 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.133 9.331 -0.088 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.500 9.162 -2.140 1.00 0.00 O ATOM 0 H GLU A 5 0.638 7.308 0.181 1.00 0.00 H new ATOM 0 HA GLU A 5 2.712 5.466 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.929 8.247 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.179 7.419 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.254 8.673 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.239 7.251 -2.199 1.00 0.00 H new ATOM 86 N ASP A 6 2.112 5.652 2.447 1.00 0.00 N ATOM 87 CA ASP A 6 2.513 5.187 3.800 1.00 0.00 C ATOM 88 C ASP A 6 1.259 4.660 4.500 1.00 0.00 C ATOM 89 O ASP A 6 0.569 5.403 5.171 1.00 0.00 O ATOM 90 CB ASP A 6 3.096 6.358 4.597 1.00 0.00 C ATOM 91 CG ASP A 6 4.621 6.237 4.643 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.183 5.721 3.691 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.199 6.661 5.630 1.00 0.00 O ATOM 0 H ASP A 6 1.130 5.913 2.360 1.00 0.00 H new ATOM 0 HA ASP A 6 3.269 4.405 3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.810 7.303 4.136 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.690 6.361 5.609 1.00 0.00 H new ATOM 98 N PRO A 7 0.986 3.395 4.300 1.00 0.00 N ATOM 99 CA PRO A 7 -0.200 2.735 4.877 1.00 0.00 C ATOM 100 C PRO A 7 -0.026 2.429 6.369 1.00 0.00 C ATOM 101 O PRO A 7 -0.526 1.437 6.863 1.00 0.00 O ATOM 102 CB PRO A 7 -0.314 1.434 4.086 1.00 0.00 C ATOM 103 CG PRO A 7 1.080 1.157 3.497 1.00 0.00 C ATOM 104 CD PRO A 7 1.834 2.504 3.481 1.00 0.00 C ATOM 0 HA PRO A 7 -1.084 3.369 4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.632 0.615 4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.058 1.525 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.615 0.422 4.099 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.000 0.747 2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.835 2.407 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.951 2.885 2.466 1.00 0.00 H new ATOM 112 N SER A 8 0.659 3.262 7.100 1.00 0.00 N ATOM 113 CA SER A 8 0.827 2.991 8.552 1.00 0.00 C ATOM 114 C SER A 8 -0.389 3.537 9.303 1.00 0.00 C ATOM 115 O SER A 8 -0.404 3.603 10.517 1.00 0.00 O ATOM 116 CB SER A 8 2.096 3.679 9.058 1.00 0.00 C ATOM 117 OG SER A 8 2.228 3.459 10.455 1.00 0.00 O ATOM 0 H SER A 8 1.106 4.112 6.758 1.00 0.00 H new ATOM 0 HA SER A 8 0.912 1.917 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.968 3.289 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.051 4.748 8.850 1.00 0.00 H new ATOM 0 HG SER A 8 1.340 3.353 10.855 1.00 0.00 H new ATOM 123 N VAL A 9 -1.411 3.936 8.589 1.00 0.00 N ATOM 124 CA VAL A 9 -2.623 4.484 9.260 1.00 0.00 C ATOM 125 C VAL A 9 -3.862 3.673 8.864 1.00 0.00 C ATOM 126 O VAL A 9 -4.878 3.721 9.529 1.00 0.00 O ATOM 127 CB VAL A 9 -2.815 5.942 8.847 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.732 6.804 9.498 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.711 6.055 7.328 1.00 0.00 C ATOM 0 H VAL A 9 -1.456 3.905 7.570 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.490 4.420 10.340 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.796 6.287 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.869 7.844 9.203 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.804 6.722 10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.750 6.461 9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.848 7.095 7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.729 5.711 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.482 5.440 6.864 1.00 0.00 H new ATOM 139 N LEU A 10 -3.795 2.922 7.794 1.00 0.00 N ATOM 140 CA LEU A 10 -4.986 2.117 7.390 1.00 0.00 C ATOM 141 C LEU A 10 -4.914 0.741 8.035 1.00 0.00 C ATOM 142 O LEU A 10 -5.523 0.525 9.062 1.00 0.00 O ATOM 143 CB LEU A 10 -5.097 1.987 5.842 1.00 0.00 C ATOM 144 CG LEU A 10 -3.736 2.283 5.187 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.704 1.763 3.746 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.499 3.795 5.182 1.00 0.00 C ATOM 0 H LEU A 10 -2.978 2.832 7.190 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.880 2.636 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.426 0.982 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.849 2.679 5.464 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.955 1.780 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.733 1.983 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.869 0.686 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.487 2.251 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.536 4.011 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.291 4.286 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.500 4.167 6.207 1.00 0.00 H new ATOM 158 N THR A 11 -4.216 -0.195 7.437 1.00 0.00 N ATOM 159 CA THR A 11 -4.156 -1.578 7.978 1.00 0.00 C ATOM 160 C THR A 11 -3.933 -2.523 6.810 1.00 0.00 C ATOM 161 O THR A 11 -3.858 -2.105 5.674 1.00 0.00 O ATOM 162 CB THR A 11 -5.517 -1.918 8.562 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.645 -3.321 8.738 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.592 -1.412 7.585 1.00 0.00 C ATOM 0 H THR A 11 -3.678 -0.050 6.582 1.00 0.00 H new ATOM 0 HA THR A 11 -3.368 -1.663 8.726 1.00 0.00 H new ATOM 0 HB THR A 11 -5.633 -1.444 9.537 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.526 -3.524 9.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.581 -1.644 7.980 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.494 -0.333 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.464 -1.900 6.619 1.00 0.00 H new ATOM 172 N LYS A 12 -3.881 -3.793 7.062 1.00 0.00 N ATOM 173 CA LYS A 12 -3.728 -4.748 5.936 1.00 0.00 C ATOM 174 C LYS A 12 -5.118 -5.039 5.341 1.00 0.00 C ATOM 175 O LYS A 12 -5.439 -6.162 5.011 1.00 0.00 O ATOM 176 CB LYS A 12 -3.139 -6.058 6.449 1.00 0.00 C ATOM 177 CG LYS A 12 -1.631 -6.099 6.209 1.00 0.00 C ATOM 178 CD LYS A 12 -0.942 -5.645 7.498 1.00 0.00 C ATOM 179 CE LYS A 12 0.220 -6.587 7.836 1.00 0.00 C ATOM 180 NZ LYS A 12 0.912 -6.097 9.062 1.00 0.00 N ATOM 0 H LYS A 12 -3.937 -4.212 7.990 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.069 -4.318 5.182 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.346 -6.164 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.616 -6.899 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.314 -7.107 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.358 -5.447 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.572 -4.626 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.660 -5.632 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.152 -7.599 7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.921 -6.632 7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.940 -6.210 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.689 -5.092 9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.591 -6.646 9.885 1.00 0.00 H new ATOM 194 N ASP A 13 -5.946 -4.037 5.221 1.00 0.00 N ATOM 195 CA ASP A 13 -7.316 -4.238 4.667 1.00 0.00 C ATOM 196 C ASP A 13 -7.648 -3.083 3.715 1.00 0.00 C ATOM 197 O ASP A 13 -8.101 -3.285 2.608 1.00 0.00 O ATOM 198 CB ASP A 13 -8.326 -4.252 5.817 1.00 0.00 C ATOM 199 CG ASP A 13 -9.309 -5.409 5.622 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.872 -5.505 4.543 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.481 -6.178 6.551 1.00 0.00 O ATOM 0 H ASP A 13 -5.729 -3.076 5.486 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.361 -5.184 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.807 -4.359 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.865 -3.305 5.853 1.00 0.00 H new ATOM 206 N LYS A 14 -7.419 -1.871 4.134 1.00 0.00 N ATOM 207 CA LYS A 14 -7.707 -0.711 3.262 1.00 0.00 C ATOM 208 C LYS A 14 -6.711 -0.694 2.107 1.00 0.00 C ATOM 209 O LYS A 14 -7.086 -0.680 0.951 1.00 0.00 O ATOM 210 CB LYS A 14 -7.560 0.537 4.101 1.00 0.00 C ATOM 211 CG LYS A 14 -8.263 1.697 3.417 1.00 0.00 C ATOM 212 CD LYS A 14 -7.638 1.956 2.052 1.00 0.00 C ATOM 213 CE LYS A 14 -6.135 2.127 2.205 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.864 3.460 2.817 1.00 0.00 N ATOM 0 H LYS A 14 -7.041 -1.637 5.052 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.714 -0.768 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.985 0.374 5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.505 0.770 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.324 1.474 3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.190 2.592 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.853 1.126 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.073 2.850 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.727 1.334 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.645 2.051 1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.840 3.640 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.344 4.199 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.219 3.472 3.795 1.00 0.00 H new ATOM 228 N LEU A 15 -5.445 -0.692 2.413 1.00 0.00 N ATOM 229 CA LEU A 15 -4.411 -0.661 1.336 1.00 0.00 C ATOM 230 C LEU A 15 -4.840 -1.561 0.177 1.00 0.00 C ATOM 231 O LEU A 15 -4.448 -1.352 -0.951 1.00 0.00 O ATOM 232 CB LEU A 15 -3.042 -1.136 1.855 1.00 0.00 C ATOM 233 CG LEU A 15 -3.163 -1.736 3.245 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.158 -2.878 3.222 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.806 -2.269 3.680 1.00 0.00 C ATOM 0 H LEU A 15 -5.078 -0.711 3.364 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.317 0.371 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.627 -1.876 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.347 -0.297 1.877 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.503 -0.970 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.243 -3.307 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.132 -2.506 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.816 -3.644 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.887 -2.701 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.474 -3.035 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.083 -1.454 3.696 1.00 0.00 H new ATOM 247 N LYS A 16 -5.640 -2.563 0.435 1.00 0.00 N ATOM 248 CA LYS A 16 -6.071 -3.450 -0.654 1.00 0.00 C ATOM 249 C LYS A 16 -7.275 -2.832 -1.360 1.00 0.00 C ATOM 250 O LYS A 16 -7.310 -2.724 -2.569 1.00 0.00 O ATOM 251 CB LYS A 16 -6.467 -4.804 -0.070 1.00 0.00 C ATOM 252 CG LYS A 16 -5.434 -5.315 0.925 1.00 0.00 C ATOM 253 CD LYS A 16 -5.753 -6.788 1.208 1.00 0.00 C ATOM 254 CE LYS A 16 -6.812 -6.922 2.305 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.078 -6.277 1.861 1.00 0.00 N ATOM 0 H LYS A 16 -6.007 -2.795 1.358 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.257 -3.581 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.435 -4.718 0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.584 -5.528 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.428 -5.212 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.468 -4.732 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.107 -7.268 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.844 -7.309 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.987 -7.974 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.458 -6.456 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.883 -6.717 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.048 -5.262 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.189 -6.400 0.834 1.00 0.00 H new ATOM 269 N SER A 17 -8.256 -2.409 -0.612 1.00 0.00 N ATOM 270 CA SER A 17 -9.446 -1.779 -1.236 1.00 0.00 C ATOM 271 C SER A 17 -8.975 -0.737 -2.248 1.00 0.00 C ATOM 272 O SER A 17 -9.683 -0.374 -3.166 1.00 0.00 O ATOM 273 CB SER A 17 -10.283 -1.108 -0.156 1.00 0.00 C ATOM 274 OG SER A 17 -11.148 -2.063 0.439 1.00 0.00 O ATOM 0 H SER A 17 -8.282 -2.474 0.406 1.00 0.00 H new ATOM 0 HA SER A 17 -10.051 -2.533 -1.740 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.633 -0.669 0.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.865 -0.294 -0.587 1.00 0.00 H new ATOM 0 HG SER A 17 -11.685 -1.629 1.135 1.00 0.00 H new ATOM 280 N GLU A 18 -7.773 -0.263 -2.083 1.00 0.00 N ATOM 281 CA GLU A 18 -7.224 0.749 -3.020 1.00 0.00 C ATOM 282 C GLU A 18 -6.440 0.034 -4.121 1.00 0.00 C ATOM 283 O GLU A 18 -6.775 0.141 -5.281 1.00 0.00 O ATOM 284 CB GLU A 18 -6.299 1.701 -2.262 1.00 0.00 C ATOM 285 CG GLU A 18 -6.754 1.812 -0.798 1.00 0.00 C ATOM 286 CD GLU A 18 -8.271 2.001 -0.749 1.00 0.00 C ATOM 287 OE1 GLU A 18 -8.723 3.092 -1.058 1.00 0.00 O ATOM 288 OE2 GLU A 18 -8.956 1.055 -0.403 1.00 0.00 O ATOM 0 H GLU A 18 -7.142 -0.538 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.038 1.322 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.272 1.338 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.310 2.685 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.471 0.914 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.256 2.652 -0.314 1.00 0.00 H new ATOM 295 N LEU A 19 -5.393 -0.690 -3.764 1.00 0.00 N ATOM 296 CA LEU A 19 -4.581 -1.425 -4.790 1.00 0.00 C ATOM 297 C LEU A 19 -5.483 -1.862 -5.947 1.00 0.00 C ATOM 298 O LEU A 19 -5.095 -1.835 -7.098 1.00 0.00 O ATOM 299 CB LEU A 19 -3.939 -2.669 -4.155 1.00 0.00 C ATOM 300 CG LEU A 19 -2.619 -2.291 -3.496 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.516 -2.974 -2.136 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.498 -2.806 -4.369 1.00 0.00 C ATOM 0 H LEU A 19 -5.070 -0.800 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.800 -0.762 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.614 -3.100 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.771 -3.431 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.559 -1.210 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.571 -2.704 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.343 -2.652 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.560 -4.055 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.539 -2.548 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.577 -3.889 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.569 -2.352 -5.358 1.00 0.00 H new ATOM 314 N VAL A 20 -6.695 -2.244 -5.647 1.00 0.00 N ATOM 315 CA VAL A 20 -7.640 -2.660 -6.720 1.00 0.00 C ATOM 316 C VAL A 20 -8.040 -1.422 -7.527 1.00 0.00 C ATOM 317 O VAL A 20 -7.889 -1.370 -8.732 1.00 0.00 O ATOM 318 CB VAL A 20 -8.886 -3.280 -6.078 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.029 -3.327 -7.097 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.563 -4.700 -5.618 1.00 0.00 C ATOM 0 H VAL A 20 -7.072 -2.286 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.169 -3.392 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.190 -2.674 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.911 -3.769 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.262 -2.315 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.728 -3.930 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.447 -5.144 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.258 -5.300 -6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.753 -4.671 -4.889 1.00 0.00 H new ATOM 330 N ALA A 21 -8.551 -0.428 -6.858 1.00 0.00 N ATOM 331 CA ALA A 21 -8.973 0.822 -7.548 1.00 0.00 C ATOM 332 C ALA A 21 -7.785 1.463 -8.269 1.00 0.00 C ATOM 333 O ALA A 21 -7.945 2.377 -9.052 1.00 0.00 O ATOM 334 CB ALA A 21 -9.487 1.805 -6.497 1.00 0.00 C ATOM 0 H ALA A 21 -8.696 -0.428 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.748 0.584 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.801 2.728 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.335 1.366 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.692 2.024 -5.784 1.00 0.00 H new ATOM 340 N ASN A 22 -6.594 1.019 -7.987 1.00 0.00 N ATOM 341 CA ASN A 22 -5.403 1.636 -8.630 1.00 0.00 C ATOM 342 C ASN A 22 -4.897 0.761 -9.783 1.00 0.00 C ATOM 343 O ASN A 22 -5.239 0.987 -10.927 1.00 0.00 O ATOM 344 CB ASN A 22 -4.334 1.818 -7.546 1.00 0.00 C ATOM 345 CG ASN A 22 -4.993 2.600 -6.398 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.053 2.094 -5.190 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 -5.465 3.699 -6.606 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.394 0.256 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.656 2.604 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.970 0.852 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.474 2.360 -7.939 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.424 4.103 -7.542 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.902 4.219 -5.845 1.00 0.00 H new ATOM 354 N ASN A 23 -4.091 -0.228 -9.514 1.00 0.00 N ATOM 355 CA ASN A 23 -3.592 -1.083 -10.633 1.00 0.00 C ATOM 356 C ASN A 23 -2.877 -2.315 -10.077 1.00 0.00 C ATOM 357 O ASN A 23 -1.775 -2.636 -10.475 1.00 0.00 O ATOM 358 CB ASN A 23 -2.617 -0.275 -11.492 1.00 0.00 C ATOM 359 CG ASN A 23 -2.560 -0.874 -12.899 1.00 0.00 C ATOM 360 OD1 ASN A 23 -3.581 -1.121 -13.508 1.00 0.00 O ATOM 361 ND2 ASN A 23 -1.400 -1.120 -13.444 1.00 0.00 N ATOM 0 H ASN A 23 -3.759 -0.481 -8.583 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.439 -1.407 -11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.936 0.766 -11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.625 -0.284 -11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.351 -1.520 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.542 -0.913 -12.933 1.00 0.00 H new ATOM 368 N VAL A 24 -3.494 -3.009 -9.163 1.00 0.00 N ATOM 369 CA VAL A 24 -2.850 -4.219 -8.584 1.00 0.00 C ATOM 370 C VAL A 24 -3.922 -5.274 -8.302 1.00 0.00 C ATOM 371 O VAL A 24 -4.991 -4.965 -7.815 1.00 0.00 O ATOM 372 CB VAL A 24 -2.162 -3.833 -7.277 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.175 -4.928 -6.871 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.409 -2.516 -7.468 1.00 0.00 C ATOM 0 H VAL A 24 -4.418 -2.790 -8.791 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.118 -4.623 -9.283 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.913 -3.715 -6.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.686 -4.649 -5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.710 -5.868 -6.733 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.424 -5.049 -7.652 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.917 -2.239 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.660 -2.635 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.112 -1.733 -7.754 1.00 0.00 H new ATOM 384 N THR A 25 -3.651 -6.518 -8.597 1.00 0.00 N ATOM 385 CA THR A 25 -4.662 -7.570 -8.335 1.00 0.00 C ATOM 386 C THR A 25 -4.612 -7.959 -6.861 1.00 0.00 C ATOM 387 O THR A 25 -3.658 -7.677 -6.163 1.00 0.00 O ATOM 388 CB THR A 25 -4.366 -8.798 -9.186 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.114 -8.637 -9.839 1.00 0.00 O ATOM 390 CG2 THR A 25 -5.471 -8.982 -10.227 1.00 0.00 C ATOM 0 H THR A 25 -2.776 -6.845 -9.006 1.00 0.00 H new ATOM 0 HA THR A 25 -5.651 -7.187 -8.586 1.00 0.00 H new ATOM 0 HB THR A 25 -4.326 -9.679 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.925 -9.429 -10.384 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.256 -9.861 -10.834 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.428 -9.115 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.518 -8.101 -10.868 1.00 0.00 H new ATOM 398 N LEU A 26 -5.640 -8.600 -6.379 1.00 0.00 N ATOM 399 CA LEU A 26 -5.667 -9.006 -4.942 1.00 0.00 C ATOM 400 C LEU A 26 -5.623 -10.539 -4.871 1.00 0.00 C ATOM 401 O LEU A 26 -6.572 -11.195 -5.256 1.00 0.00 O ATOM 402 CB LEU A 26 -6.969 -8.517 -4.281 1.00 0.00 C ATOM 403 CG LEU A 26 -7.180 -6.998 -4.397 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.237 -6.349 -3.014 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.096 -6.309 -5.218 1.00 0.00 C ATOM 0 H LEU A 26 -6.466 -8.862 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.814 -8.569 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.815 -9.030 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.960 -8.796 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.130 -6.868 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.387 -5.275 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.064 -6.775 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.301 -6.534 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.299 -5.239 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.125 -6.474 -4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.087 -6.720 -6.227 1.00 0.00 H new ATOM 417 N PRO A 27 -4.527 -11.072 -4.393 1.00 0.00 N ATOM 418 CA PRO A 27 -4.344 -12.530 -4.278 1.00 0.00 C ATOM 419 C PRO A 27 -5.131 -13.099 -3.089 1.00 0.00 C ATOM 420 O PRO A 27 -6.116 -13.789 -3.261 1.00 0.00 O ATOM 421 CB PRO A 27 -2.832 -12.681 -4.059 1.00 0.00 C ATOM 422 CG PRO A 27 -2.335 -11.334 -3.499 1.00 0.00 C ATOM 423 CD PRO A 27 -3.372 -10.280 -3.924 1.00 0.00 C ATOM 0 HA PRO A 27 -4.706 -13.072 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.620 -13.493 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.327 -12.923 -4.994 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.244 -11.374 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.348 -11.090 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.646 -9.633 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.984 -9.636 -4.714 1.00 0.00 H new ATOM 431 N ALA A 28 -4.698 -12.833 -1.886 1.00 0.00 N ATOM 432 CA ALA A 28 -5.415 -13.381 -0.696 1.00 0.00 C ATOM 433 C ALA A 28 -6.568 -12.458 -0.295 1.00 0.00 C ATOM 434 O ALA A 28 -6.845 -11.468 -0.943 1.00 0.00 O ATOM 435 CB ALA A 28 -4.435 -13.502 0.472 1.00 0.00 C ATOM 0 H ALA A 28 -3.880 -12.261 -1.675 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.819 -14.361 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.954 -13.902 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.621 -14.172 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.030 -12.518 0.711 1.00 0.00 H new ATOM 441 N GLY A 29 -7.236 -12.775 0.784 1.00 0.00 N ATOM 442 CA GLY A 29 -8.368 -11.915 1.247 1.00 0.00 C ATOM 443 C GLY A 29 -7.903 -11.090 2.449 1.00 0.00 C ATOM 444 O GLY A 29 -7.382 -10.005 2.296 1.00 0.00 O ATOM 0 H GLY A 29 -7.047 -13.592 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.695 -11.257 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.223 -12.533 1.522 1.00 0.00 H new ATOM 448 N GLU A 30 -8.073 -11.596 3.642 1.00 0.00 N ATOM 449 CA GLU A 30 -7.620 -10.832 4.840 1.00 0.00 C ATOM 450 C GLU A 30 -6.220 -10.284 4.565 1.00 0.00 C ATOM 451 O GLU A 30 -6.040 -9.106 4.354 1.00 0.00 O ATOM 452 CB GLU A 30 -7.580 -11.758 6.057 1.00 0.00 C ATOM 453 CG GLU A 30 -7.872 -10.950 7.323 1.00 0.00 C ATOM 454 CD GLU A 30 -6.858 -11.319 8.408 1.00 0.00 C ATOM 455 OE1 GLU A 30 -7.093 -12.294 9.103 1.00 0.00 O ATOM 456 OE2 GLU A 30 -5.865 -10.620 8.527 1.00 0.00 O ATOM 0 H GLU A 30 -8.503 -12.500 3.838 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.309 -10.012 5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.314 -12.556 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.602 -12.233 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.818 -9.883 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.884 -11.153 7.672 1.00 0.00 H new ATOM 463 N GLN A 31 -5.238 -11.147 4.536 1.00 0.00 N ATOM 464 CA GLN A 31 -3.842 -10.724 4.239 1.00 0.00 C ATOM 465 C GLN A 31 -2.956 -11.960 4.297 1.00 0.00 C ATOM 466 O GLN A 31 -2.866 -12.633 5.303 1.00 0.00 O ATOM 467 CB GLN A 31 -3.332 -9.685 5.256 1.00 0.00 C ATOM 468 CG GLN A 31 -2.086 -8.947 4.716 1.00 0.00 C ATOM 469 CD GLN A 31 -2.486 -7.608 4.082 1.00 0.00 C ATOM 470 OE1 GLN A 31 -1.635 -6.788 3.800 1.00 0.00 O ATOM 471 NE2 GLN A 31 -3.731 -7.361 3.796 1.00 0.00 N ATOM 0 H GLN A 31 -5.350 -12.146 4.709 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.815 -10.260 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.121 -8.964 5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.087 -10.180 6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.378 -8.775 5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.580 -9.569 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.453 -8.043 4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.985 -6.485 3.339 1.00 0.00 H new ATOM 480 N ARG A 32 -2.296 -12.254 3.224 1.00 0.00 N ATOM 481 CA ARG A 32 -1.411 -13.416 3.177 1.00 0.00 C ATOM 482 C ARG A 32 -0.339 -13.244 4.258 1.00 0.00 C ATOM 483 O ARG A 32 -0.091 -14.123 5.059 1.00 0.00 O ATOM 484 CB ARG A 32 -0.783 -13.402 1.784 1.00 0.00 C ATOM 485 CG ARG A 32 -1.461 -14.412 0.847 1.00 0.00 C ATOM 486 CD ARG A 32 -1.431 -13.869 -0.594 1.00 0.00 C ATOM 487 NE ARG A 32 -0.030 -13.888 -1.100 1.00 0.00 N ATOM 488 CZ ARG A 32 0.208 -14.173 -2.351 1.00 0.00 C ATOM 489 NH1 ARG A 32 0.516 -13.222 -3.190 1.00 0.00 N ATOM 490 NH2 ARG A 32 0.138 -15.409 -2.764 1.00 0.00 N ATOM 0 H ARG A 32 -2.340 -11.717 2.358 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.930 -14.358 3.356 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.862 -12.401 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.279 -13.633 1.861 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.948 -15.373 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.490 -14.583 1.162 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.070 -14.475 -1.236 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.825 -12.853 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 32 0.743 -13.678 -0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.571 -12.256 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.702 -13.445 -4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.103 -16.153 -2.109 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.324 -15.631 -3.742 1.00 0.00 H new ATOM 504 N LYS A 33 0.281 -12.100 4.281 1.00 0.00 N ATOM 505 CA LYS A 33 1.333 -11.807 5.293 1.00 0.00 C ATOM 506 C LYS A 33 1.913 -10.434 4.964 1.00 0.00 C ATOM 507 O LYS A 33 2.920 -10.334 4.292 1.00 0.00 O ATOM 508 CB LYS A 33 2.436 -12.866 5.220 1.00 0.00 C ATOM 509 CG LYS A 33 3.278 -12.814 6.496 1.00 0.00 C ATOM 510 CD LYS A 33 2.403 -13.172 7.700 1.00 0.00 C ATOM 511 CE LYS A 33 2.236 -11.941 8.593 1.00 0.00 C ATOM 512 NZ LYS A 33 2.433 -12.330 10.018 1.00 0.00 N ATOM 0 H LYS A 33 0.099 -11.339 3.627 1.00 0.00 H new ATOM 0 HA LYS A 33 0.913 -11.819 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.997 -13.856 5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.066 -12.691 4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.114 -13.509 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.702 -11.818 6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.428 -13.525 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.858 -13.985 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.957 -11.174 8.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.244 -11.511 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.320 -11.493 10.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.728 -13.048 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.389 -12.721 10.142 1.00 0.00 H new ATOM 526 N ASP A 34 1.282 -9.368 5.382 1.00 0.00 N ATOM 527 CA ASP A 34 1.828 -8.032 5.014 1.00 0.00 C ATOM 528 C ASP A 34 2.055 -8.046 3.502 1.00 0.00 C ATOM 529 O ASP A 34 2.932 -7.386 2.983 1.00 0.00 O ATOM 530 CB ASP A 34 3.170 -7.809 5.732 1.00 0.00 C ATOM 531 CG ASP A 34 3.170 -6.437 6.410 1.00 0.00 C ATOM 532 OD1 ASP A 34 3.420 -5.460 5.726 1.00 0.00 O ATOM 533 OD2 ASP A 34 2.924 -6.389 7.604 1.00 0.00 O ATOM 0 H ASP A 34 0.434 -9.363 5.948 1.00 0.00 H new ATOM 0 HA ASP A 34 1.143 -7.235 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.331 -8.592 6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.991 -7.872 5.018 1.00 0.00 H new ATOM 538 N VAL A 35 1.278 -8.833 2.796 1.00 0.00 N ATOM 539 CA VAL A 35 1.456 -8.933 1.323 1.00 0.00 C ATOM 540 C VAL A 35 0.850 -7.738 0.616 1.00 0.00 C ATOM 541 O VAL A 35 1.249 -7.420 -0.467 1.00 0.00 O ATOM 542 CB VAL A 35 0.806 -10.210 0.795 1.00 0.00 C ATOM 543 CG1 VAL A 35 0.954 -10.245 -0.729 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.514 -11.400 1.435 1.00 0.00 C ATOM 0 H VAL A 35 0.529 -9.408 3.182 1.00 0.00 H new ATOM 0 HA VAL A 35 2.527 -8.955 1.121 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.255 -10.246 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.493 -11.153 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.462 -9.374 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.012 -10.233 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.068 -12.326 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.571 -11.379 1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.410 -11.346 2.519 1.00 0.00 H new ATOM 554 N TYR A 36 -0.104 -7.078 1.203 1.00 0.00 N ATOM 555 CA TYR A 36 -0.712 -5.911 0.542 1.00 0.00 C ATOM 556 C TYR A 36 0.033 -4.680 0.974 1.00 0.00 C ATOM 557 O TYR A 36 0.158 -3.718 0.250 1.00 0.00 O ATOM 558 CB TYR A 36 -2.127 -5.816 0.992 1.00 0.00 C ATOM 559 CG TYR A 36 -2.801 -7.067 0.581 1.00 0.00 C ATOM 560 CD1 TYR A 36 -2.664 -8.179 1.382 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.579 -7.106 -0.564 1.00 0.00 C ATOM 562 CE1 TYR A 36 -3.301 -9.360 1.058 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.238 -8.286 -0.907 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.102 -9.424 -0.092 1.00 0.00 C ATOM 565 OH TYR A 36 -4.749 -10.597 -0.422 1.00 0.00 O ATOM 0 H TYR A 36 -0.487 -7.304 2.121 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.668 -6.006 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.179 -5.688 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.616 -4.951 0.545 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.053 -8.127 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.675 -6.229 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.183 -10.230 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.851 -8.326 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.655 -10.394 -0.736 1.00 0.00 H new ATOM 575 N VAL A 37 0.545 -4.717 2.158 1.00 0.00 N ATOM 576 CA VAL A 37 1.307 -3.567 2.645 1.00 0.00 C ATOM 577 C VAL A 37 2.622 -3.550 1.842 1.00 0.00 C ATOM 578 O VAL A 37 3.074 -2.530 1.346 1.00 0.00 O ATOM 579 CB VAL A 37 1.556 -3.749 4.144 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.398 -2.585 4.674 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.203 -3.780 4.874 1.00 0.00 C ATOM 0 H VAL A 37 0.466 -5.499 2.808 1.00 0.00 H new ATOM 0 HA VAL A 37 0.783 -2.621 2.512 1.00 0.00 H new ATOM 0 HB VAL A 37 2.092 -4.683 4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.573 -2.719 5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.354 -2.559 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.868 -1.647 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.369 -3.909 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.326 -2.843 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.395 -4.610 4.497 1.00 0.00 H new ATOM 591 N GLN A 38 3.206 -4.705 1.655 1.00 0.00 N ATOM 592 CA GLN A 38 4.445 -4.801 0.844 1.00 0.00 C ATOM 593 C GLN A 38 4.042 -4.661 -0.626 1.00 0.00 C ATOM 594 O GLN A 38 4.541 -3.812 -1.337 1.00 0.00 O ATOM 595 CB GLN A 38 5.089 -6.170 1.090 1.00 0.00 C ATOM 596 CG GLN A 38 6.171 -6.436 0.045 1.00 0.00 C ATOM 597 CD GLN A 38 7.546 -6.157 0.654 1.00 0.00 C ATOM 598 OE1 GLN A 38 8.322 -5.396 0.110 1.00 0.00 O ATOM 599 NE2 GLN A 38 7.881 -6.746 1.769 1.00 0.00 N ATOM 0 H GLN A 38 2.871 -5.590 2.035 1.00 0.00 H new ATOM 0 HA GLN A 38 5.160 -4.023 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.522 -6.203 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.330 -6.951 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.116 -7.470 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.012 -5.803 -0.828 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.229 -7.384 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.795 -6.568 2.185 1.00 0.00 H new ATOM 608 N LEU A 39 3.121 -5.485 -1.067 1.00 0.00 N ATOM 609 CA LEU A 39 2.629 -5.409 -2.497 1.00 0.00 C ATOM 610 C LEU A 39 2.551 -3.938 -2.875 1.00 0.00 C ATOM 611 O LEU A 39 3.048 -3.505 -3.894 1.00 0.00 O ATOM 612 CB LEU A 39 1.217 -6.036 -2.612 1.00 0.00 C ATOM 613 CG LEU A 39 1.301 -7.420 -3.240 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.025 -8.152 -3.023 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.538 -7.262 -4.738 1.00 0.00 C ATOM 0 H LEU A 39 2.682 -6.212 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 39 3.306 -5.953 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.761 -6.105 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.575 -5.394 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 39 2.114 -7.987 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.030 -9.144 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.218 -8.246 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.833 -7.588 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.601 -8.246 -5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.713 -6.704 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.471 -6.723 -4.904 1.00 0.00 H new ATOM 627 N TYR A 40 1.942 -3.171 -2.026 1.00 0.00 N ATOM 628 CA TYR A 40 1.811 -1.725 -2.259 1.00 0.00 C ATOM 629 C TYR A 40 3.190 -1.110 -2.524 1.00 0.00 C ATOM 630 O TYR A 40 3.411 -0.498 -3.542 1.00 0.00 O ATOM 631 CB TYR A 40 1.150 -1.127 -1.004 1.00 0.00 C ATOM 632 CG TYR A 40 1.963 0.013 -0.408 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.364 1.100 -1.194 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.314 -0.030 0.939 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.107 2.139 -0.628 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.056 1.010 1.504 1.00 0.00 C ATOM 637 CZ TYR A 40 3.448 2.095 0.719 1.00 0.00 C ATOM 638 OH TYR A 40 4.184 3.117 1.279 1.00 0.00 O ATOM 0 H TYR A 40 1.520 -3.501 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 40 1.199 -1.513 -3.136 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.154 -0.765 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.023 -1.909 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.098 1.135 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.012 -0.869 1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.416 2.976 -1.237 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.326 0.974 2.549 1.00 0.00 H new ATOM 0 HH TYR A 40 4.274 2.965 2.243 1.00 0.00 H new ATOM 648 N LEU A 41 4.111 -1.227 -1.610 1.00 0.00 N ATOM 649 CA LEU A 41 5.433 -0.591 -1.855 1.00 0.00 C ATOM 650 C LEU A 41 6.075 -1.163 -3.133 1.00 0.00 C ATOM 651 O LEU A 41 6.963 -0.570 -3.705 1.00 0.00 O ATOM 652 CB LEU A 41 6.358 -0.833 -0.655 1.00 0.00 C ATOM 653 CG LEU A 41 5.652 -0.421 0.645 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.170 -1.288 1.794 1.00 0.00 C ATOM 655 CD2 LEU A 41 5.933 1.057 0.957 1.00 0.00 C ATOM 0 H LEU A 41 4.011 -1.723 -0.724 1.00 0.00 H new ATOM 0 HA LEU A 41 5.286 0.481 -1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.639 -1.885 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.279 -0.263 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 41 4.577 -0.560 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.672 -1.000 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.962 -2.337 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.245 -1.146 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.427 1.336 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.007 1.207 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.565 1.678 0.140 1.00 0.00 H new ATOM 667 N GLN A 42 5.645 -2.313 -3.582 1.00 0.00 N ATOM 668 CA GLN A 42 6.265 -2.912 -4.807 1.00 0.00 C ATOM 669 C GLN A 42 5.770 -2.226 -6.092 1.00 0.00 C ATOM 670 O GLN A 42 6.539 -1.623 -6.813 1.00 0.00 O ATOM 671 CB GLN A 42 5.935 -4.404 -4.862 1.00 0.00 C ATOM 672 CG GLN A 42 7.162 -5.184 -5.345 1.00 0.00 C ATOM 673 CD GLN A 42 7.746 -4.502 -6.584 1.00 0.00 C ATOM 674 OE1 GLN A 42 8.650 -3.573 -6.437 1.00 0.00 O flip ATOM 675 NE2 GLN A 42 7.376 -4.818 -7.697 1.00 0.00 N flip ATOM 0 H GLN A 42 4.897 -2.862 -3.159 1.00 0.00 H new ATOM 0 HA GLN A 42 7.343 -2.765 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.632 -4.756 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.094 -4.576 -5.534 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.911 -5.229 -4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.884 -6.211 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.669 -5.544 -7.812 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.772 -4.357 -8.516 1.00 0.00 H new ATOM 684 N HIS A 43 4.505 -2.330 -6.399 1.00 0.00 N ATOM 685 CA HIS A 43 3.979 -1.702 -7.652 1.00 0.00 C ATOM 686 C HIS A 43 3.706 -0.232 -7.418 1.00 0.00 C ATOM 687 O HIS A 43 3.837 0.593 -8.300 1.00 0.00 O ATOM 688 CB HIS A 43 2.650 -2.349 -8.022 1.00 0.00 C ATOM 689 CG HIS A 43 2.687 -3.799 -7.672 1.00 0.00 C ATOM 690 ND1 HIS A 43 3.091 -4.777 -8.565 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.377 -4.445 -6.514 1.00 0.00 C ATOM 692 CE1 HIS A 43 3.012 -5.958 -7.928 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.582 -5.812 -6.671 1.00 0.00 N ATOM 0 H HIS A 43 3.810 -2.823 -5.838 1.00 0.00 H new ATOM 0 HA HIS A 43 4.718 -1.836 -8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.834 -1.857 -7.492 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.458 -2.226 -9.088 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.393 -4.629 -9.528 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.025 -3.968 -5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.265 -6.907 -8.376 1.00 0.00 H new ATOM 701 N LEU A 44 3.293 0.091 -6.239 1.00 0.00 N ATOM 702 CA LEU A 44 2.965 1.498 -5.936 1.00 0.00 C ATOM 703 C LEU A 44 4.209 2.219 -5.392 1.00 0.00 C ATOM 704 O LEU A 44 4.280 3.431 -5.405 1.00 0.00 O ATOM 705 CB LEU A 44 1.818 1.536 -4.921 1.00 0.00 C ATOM 706 CG LEU A 44 0.526 0.811 -5.426 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.653 1.735 -5.221 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.539 0.508 -6.922 1.00 0.00 C ATOM 0 H LEU A 44 3.167 -0.562 -5.466 1.00 0.00 H new ATOM 0 HA LEU A 44 2.649 2.012 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.148 1.072 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.578 2.574 -4.691 1.00 0.00 H new ATOM 0 HG LEU A 44 0.468 -0.124 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.563 1.246 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.750 1.972 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.497 2.654 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.388 0.006 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.628 1.439 -7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.386 -0.138 -7.155 1.00 0.00 H new ATOM 720 N THR A 45 5.211 1.493 -4.954 1.00 0.00 N ATOM 721 CA THR A 45 6.453 2.157 -4.465 1.00 0.00 C ATOM 722 C THR A 45 6.143 3.395 -3.630 1.00 0.00 C ATOM 723 O THR A 45 6.954 4.294 -3.534 1.00 0.00 O ATOM 724 CB THR A 45 7.264 2.595 -5.676 1.00 0.00 C ATOM 725 OG1 THR A 45 6.476 2.436 -6.848 1.00 0.00 O ATOM 726 CG2 THR A 45 8.516 1.731 -5.779 1.00 0.00 C ATOM 0 H THR A 45 5.219 0.474 -4.916 1.00 0.00 H new ATOM 0 HA THR A 45 6.998 1.449 -3.841 1.00 0.00 H new ATOM 0 HB THR A 45 7.552 3.641 -5.572 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.993 2.718 -7.631 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.101 2.040 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.115 1.849 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.228 0.685 -5.890 1.00 0.00 H new ATOM 734 N ALA A 46 4.992 3.471 -3.038 1.00 0.00 N ATOM 735 CA ALA A 46 4.673 4.676 -2.238 1.00 0.00 C ATOM 736 C ALA A 46 5.037 5.907 -3.060 1.00 0.00 C ATOM 737 O ALA A 46 5.815 6.743 -2.651 1.00 0.00 O ATOM 738 CB ALA A 46 5.465 4.684 -0.933 1.00 0.00 C ATOM 0 H ALA A 46 4.263 2.758 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 46 3.611 4.677 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.215 5.578 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.214 3.798 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.532 4.682 -1.155 1.00 0.00 H new ATOM 744 N ARG A 47 4.456 5.990 -4.214 1.00 0.00 N ATOM 745 CA ARG A 47 4.665 7.124 -5.162 1.00 0.00 C ATOM 746 C ARG A 47 5.323 8.350 -4.501 1.00 0.00 C ATOM 747 O ARG A 47 6.514 8.561 -4.618 1.00 0.00 O ATOM 748 CB ARG A 47 3.268 7.542 -5.666 1.00 0.00 C ATOM 749 CG ARG A 47 2.164 6.875 -4.828 1.00 0.00 C ATOM 750 CD ARG A 47 1.626 5.672 -5.584 1.00 0.00 C ATOM 751 NE ARG A 47 0.763 6.132 -6.709 1.00 0.00 N ATOM 752 CZ ARG A 47 0.756 5.473 -7.837 1.00 0.00 C ATOM 753 NH1 ARG A 47 -0.346 4.917 -8.260 1.00 0.00 N ATOM 754 NH2 ARG A 47 1.849 5.373 -8.540 1.00 0.00 N ATOM 0 H ARG A 47 3.809 5.282 -4.562 1.00 0.00 H new ATOM 0 HA ARG A 47 5.332 6.793 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.166 8.626 -5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.155 7.262 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.561 6.565 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.361 7.585 -4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.451 5.072 -5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.054 5.033 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 47 0.178 6.961 -6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.201 4.997 -7.710 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.352 4.402 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.710 5.809 -8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.844 4.858 -9.421 1.00 0.00 H new ATOM 768 N ASN A 48 4.554 9.177 -3.846 1.00 0.00 N ATOM 769 CA ASN A 48 5.139 10.419 -3.219 1.00 0.00 C ATOM 770 C ASN A 48 5.889 10.094 -1.921 1.00 0.00 C ATOM 771 O ASN A 48 6.714 10.863 -1.472 1.00 0.00 O ATOM 772 CB ASN A 48 4.026 11.442 -2.912 1.00 0.00 C ATOM 773 CG ASN A 48 2.755 11.041 -3.630 1.00 0.00 C ATOM 774 OD1 ASN A 48 1.699 10.949 -3.036 1.00 0.00 O ATOM 775 ND2 ASN A 48 2.821 10.798 -4.904 1.00 0.00 N ATOM 0 H ASN A 48 3.550 9.056 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 48 5.844 10.841 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.849 11.490 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.336 12.438 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.981 10.527 -5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.713 10.878 -5.393 1.00 0.00 H new ATOM 782 N ARG A 49 5.631 8.963 -1.325 1.00 0.00 N ATOM 783 CA ARG A 49 6.333 8.593 -0.078 1.00 0.00 C ATOM 784 C ARG A 49 6.354 9.731 0.927 1.00 0.00 C ATOM 785 O ARG A 49 5.879 10.817 0.665 1.00 0.00 O ATOM 786 CB ARG A 49 7.767 8.223 -0.401 1.00 0.00 C ATOM 787 CG ARG A 49 7.907 6.699 -0.454 1.00 0.00 C ATOM 788 CD ARG A 49 9.102 6.227 0.391 1.00 0.00 C ATOM 789 NE ARG A 49 10.110 7.318 0.499 1.00 0.00 N ATOM 790 CZ ARG A 49 10.992 7.298 1.461 1.00 0.00 C ATOM 791 NH1 ARG A 49 10.624 7.000 2.677 1.00 0.00 N ATOM 792 NH2 ARG A 49 12.241 7.578 1.207 1.00 0.00 N ATOM 0 H ARG A 49 4.955 8.276 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 49 5.794 7.753 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.059 8.658 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.438 8.633 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.992 6.233 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.038 6.378 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.763 5.934 1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.555 5.346 -0.064 1.00 0.00 H new ATOM 0 HE ARG A 49 10.111 8.081 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.647 6.783 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.313 6.984 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.528 7.813 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.930 7.562 1.959 1.00 0.00 H new ATOM 806 N PRO A 50 6.905 9.423 2.077 1.00 0.00 N ATOM 807 CA PRO A 50 7.007 10.373 3.173 1.00 0.00 C ATOM 808 C PRO A 50 8.344 11.126 3.106 1.00 0.00 C ATOM 809 O PRO A 50 9.383 10.518 2.935 1.00 0.00 O ATOM 810 CB PRO A 50 6.943 9.472 4.411 1.00 0.00 C ATOM 811 CG PRO A 50 7.388 8.054 3.949 1.00 0.00 C ATOM 812 CD PRO A 50 7.453 8.088 2.409 1.00 0.00 C ATOM 0 HA PRO A 50 6.232 11.140 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.598 9.847 5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.933 9.447 4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.359 7.797 4.371 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.682 7.297 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.474 7.970 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.862 7.288 1.963 1.00 0.00 H new ATOM 820 N PRO A 51 8.283 12.429 3.251 1.00 0.00 N ATOM 821 CA PRO A 51 9.483 13.284 3.217 1.00 0.00 C ATOM 822 C PRO A 51 10.243 13.207 4.549 1.00 0.00 C ATOM 823 O PRO A 51 11.162 13.962 4.789 1.00 0.00 O ATOM 824 CB PRO A 51 8.916 14.690 2.996 1.00 0.00 C ATOM 825 CG PRO A 51 7.449 14.648 3.485 1.00 0.00 C ATOM 826 CD PRO A 51 7.019 13.168 3.455 1.00 0.00 C ATOM 0 HA PRO A 51 10.195 12.987 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.490 15.432 3.551 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.967 14.969 1.944 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.364 15.056 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.808 15.251 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.532 12.876 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.310 12.975 2.650 1.00 0.00 H new ATOM 834 N LEU A 52 9.869 12.302 5.416 1.00 0.00 N ATOM 835 CA LEU A 52 10.577 12.190 6.722 1.00 0.00 C ATOM 836 C LEU A 52 10.763 13.587 7.323 1.00 0.00 C ATOM 837 O LEU A 52 11.832 14.157 7.241 1.00 0.00 O ATOM 838 CB LEU A 52 11.946 11.542 6.505 1.00 0.00 C ATOM 839 CG LEU A 52 11.809 10.020 6.586 1.00 0.00 C ATOM 840 CD1 LEU A 52 11.484 9.614 8.028 1.00 0.00 C ATOM 841 CD2 LEU A 52 10.676 9.561 5.662 1.00 0.00 C ATOM 0 H LEU A 52 9.107 11.639 5.275 1.00 0.00 H new ATOM 0 HA LEU A 52 9.988 11.576 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.347 11.830 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.651 11.895 7.258 1.00 0.00 H new ATOM 0 HG LEU A 52 12.744 9.553 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.386 8.530 8.088 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.287 9.943 8.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.548 10.080 8.335 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.577 8.477 5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.741 10.027 5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.903 9.852 4.636 1.00 0.00 H new ATOM 853 N PRO A 53 9.710 14.093 7.912 1.00 0.00 N ATOM 854 CA PRO A 53 9.714 15.425 8.541 1.00 0.00 C ATOM 855 C PRO A 53 10.403 15.375 9.901 1.00 0.00 C ATOM 856 O PRO A 53 10.432 16.350 10.625 1.00 0.00 O ATOM 857 CB PRO A 53 8.229 15.761 8.689 1.00 0.00 C ATOM 858 CG PRO A 53 7.474 14.408 8.672 1.00 0.00 C ATOM 859 CD PRO A 53 8.415 13.386 8.004 1.00 0.00 C ATOM 0 HA PRO A 53 10.256 16.170 7.958 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.043 16.299 9.619 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.893 16.404 7.876 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.218 14.095 9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.539 14.493 8.118 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.500 12.475 8.597 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.050 13.093 7.020 1.00 0.00 H new ATOM 867 N ALA A 54 10.975 14.259 10.250 1.00 0.00 N ATOM 868 CA ALA A 54 11.674 14.180 11.556 1.00 0.00 C ATOM 869 C ALA A 54 10.648 14.204 12.692 1.00 0.00 C ATOM 870 O ALA A 54 10.972 14.491 13.826 1.00 0.00 O ATOM 871 CB ALA A 54 12.601 15.388 11.672 1.00 0.00 C ATOM 0 H ALA A 54 10.988 13.406 9.692 1.00 0.00 H new ATOM 0 HA ALA A 54 12.248 13.256 11.623 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.127 15.352 12.626 1.00 0.00 H new ATOM 0 HB2 ALA A 54 13.325 15.371 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.013 16.304 11.616 1.00 0.00 H new ATOM 877 N GLY A 55 9.412 13.905 12.396 1.00 0.00 N ATOM 878 CA GLY A 55 8.369 13.913 13.461 1.00 0.00 C ATOM 879 C GLY A 55 7.257 12.928 13.095 1.00 0.00 C ATOM 880 O GLY A 55 6.092 13.172 13.341 1.00 0.00 O ATOM 0 H GLY A 55 9.080 13.656 11.464 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.811 13.639 14.419 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.958 14.916 13.574 1.00 0.00 H new ATOM 884 N THR A 56 7.606 11.813 12.511 1.00 0.00 N ATOM 885 CA THR A 56 6.567 10.815 12.131 1.00 0.00 C ATOM 886 C THR A 56 5.376 11.532 11.494 1.00 0.00 C ATOM 887 O THR A 56 5.602 12.489 10.772 1.00 0.00 O ATOM 888 CB THR A 56 6.102 10.063 13.380 1.00 0.00 C ATOM 889 OG1 THR A 56 5.052 10.790 14.004 1.00 0.00 O ATOM 890 CG2 THR A 56 7.272 9.914 14.355 1.00 0.00 C ATOM 891 OXT THR A 56 4.256 11.111 11.738 1.00 0.00 O ATOM 0 H THR A 56 8.565 11.551 12.281 1.00 0.00 H new ATOM 0 HA THR A 56 6.988 10.108 11.416 1.00 0.00 H new ATOM 0 HB THR A 56 5.742 9.074 13.096 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.267 10.799 13.418 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.939 9.378 15.244 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.077 9.356 13.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.635 10.901 14.641 1.00 0.00 H new TER 899 THR A 56