USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 609 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0746 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.282 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0234 K(o=-0.023,f=-3.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc=-0.00357 (180deg=-0.105) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl 135:sc= -3.17! (180deg=-8.28!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 53 CYS SG : rot -4:sc= 0.166 USER MOD Single : A 58 THR OG1 : rot 76:sc= 0.781 USER MOD Single : A 62 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -120:sc= -5.78! (180deg=-8.97!) USER MOD Single : A 75 SER OG : rot 14:sc= 1.1 USER MOD Single : A 78 SER OG : rot 39:sc= 0.633 USER MOD Single : A 79 SER OG : rot 37:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.843 -9.323 13.878 1.00 0.00 N ATOM 2 CA GLY A 1 -25.831 -9.867 12.991 1.00 0.00 C ATOM 3 C GLY A 1 -25.927 -11.374 12.858 1.00 0.00 C ATOM 4 O GLY A 1 -26.516 -12.043 13.708 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.538 -8.785 13.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.324 -10.100 14.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.393 -8.694 14.573 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.932 -9.411 12.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.843 -9.600 13.365 1.00 0.00 H new ATOM 8 N SER A 2 -25.350 -11.910 11.788 1.00 0.00 N ATOM 9 CA SER A 2 -25.378 -13.348 11.543 1.00 0.00 C ATOM 10 C SER A 2 -24.204 -13.772 10.666 1.00 0.00 C ATOM 11 O SER A 2 -23.412 -12.940 10.224 1.00 0.00 O ATOM 12 CB SER A 2 -26.697 -13.748 10.880 1.00 0.00 C ATOM 13 OG SER A 2 -26.762 -13.272 9.547 1.00 0.00 O ATOM 0 H SER A 2 -24.857 -11.371 11.076 1.00 0.00 H new ATOM 0 HA SER A 2 -25.294 -13.858 12.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.797 -14.833 10.887 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.532 -13.347 11.454 1.00 0.00 H new ATOM 0 HG SER A 2 -27.614 -13.542 9.144 1.00 0.00 H new ATOM 19 N SER A 3 -24.100 -15.074 10.417 1.00 0.00 N ATOM 20 CA SER A 3 -23.022 -15.611 9.595 1.00 0.00 C ATOM 21 C SER A 3 -23.388 -15.557 8.115 1.00 0.00 C ATOM 22 O SER A 3 -24.564 -15.524 7.756 1.00 0.00 O ATOM 23 CB SER A 3 -22.712 -17.053 10.002 1.00 0.00 C ATOM 24 OG SER A 3 -23.810 -17.907 9.731 1.00 0.00 O ATOM 0 H SER A 3 -24.749 -15.776 10.773 1.00 0.00 H new ATOM 0 HA SER A 3 -22.136 -14.996 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.832 -17.405 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.472 -17.091 11.065 1.00 0.00 H new ATOM 0 HG SER A 3 -23.586 -18.823 9.998 1.00 0.00 H new ATOM 30 N GLY A 4 -22.370 -15.548 7.259 1.00 0.00 N ATOM 31 CA GLY A 4 -22.604 -15.497 5.828 1.00 0.00 C ATOM 32 C GLY A 4 -21.316 -15.450 5.031 1.00 0.00 C ATOM 33 O GLY A 4 -20.284 -15.005 5.533 1.00 0.00 O ATOM 0 H GLY A 4 -21.387 -15.575 7.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.183 -16.370 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.206 -14.619 5.592 1.00 0.00 H new ATOM 37 N SER A 5 -21.374 -15.911 3.786 1.00 0.00 N ATOM 38 CA SER A 5 -20.201 -15.924 2.920 1.00 0.00 C ATOM 39 C SER A 5 -20.112 -14.637 2.107 1.00 0.00 C ATOM 40 O SER A 5 -21.062 -14.252 1.425 1.00 0.00 O ATOM 41 CB SER A 5 -20.248 -17.131 1.981 1.00 0.00 C ATOM 42 OG SER A 5 -21.356 -17.050 1.101 1.00 0.00 O ATOM 0 H SER A 5 -22.221 -16.281 3.354 1.00 0.00 H new ATOM 0 HA SER A 5 -19.315 -15.997 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.325 -17.183 1.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.311 -18.049 2.566 1.00 0.00 H new ATOM 0 HG SER A 5 -21.666 -16.122 1.050 1.00 0.00 H new ATOM 48 N SER A 6 -18.962 -13.974 2.184 1.00 0.00 N ATOM 49 CA SER A 6 -18.748 -12.727 1.459 1.00 0.00 C ATOM 50 C SER A 6 -17.785 -12.934 0.294 1.00 0.00 C ATOM 51 O SER A 6 -16.705 -13.500 0.460 1.00 0.00 O ATOM 52 CB SER A 6 -18.204 -11.652 2.401 1.00 0.00 C ATOM 53 OG SER A 6 -19.201 -11.216 3.309 1.00 0.00 O ATOM 0 H SER A 6 -18.164 -14.280 2.741 1.00 0.00 H new ATOM 0 HA SER A 6 -19.708 -12.398 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.352 -12.047 2.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.842 -10.804 1.819 1.00 0.00 H new ATOM 0 HG SER A 6 -18.827 -10.530 3.901 1.00 0.00 H new ATOM 59 N GLY A 7 -18.185 -12.471 -0.886 1.00 0.00 N ATOM 60 CA GLY A 7 -17.346 -12.614 -2.062 1.00 0.00 C ATOM 61 C GLY A 7 -17.610 -11.538 -3.097 1.00 0.00 C ATOM 62 O GLY A 7 -16.677 -10.974 -3.666 1.00 0.00 O ATOM 0 H GLY A 7 -19.075 -12.000 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.298 -12.578 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.516 -13.593 -2.509 1.00 0.00 H new ATOM 66 N ALA A 8 -18.885 -11.255 -3.342 1.00 0.00 N ATOM 67 CA ALA A 8 -19.269 -10.240 -4.315 1.00 0.00 C ATOM 68 C ALA A 8 -19.905 -9.036 -3.630 1.00 0.00 C ATOM 69 O ALA A 8 -20.894 -8.484 -4.114 1.00 0.00 O ATOM 70 CB ALA A 8 -20.222 -10.829 -5.344 1.00 0.00 C ATOM 0 H ALA A 8 -19.670 -11.715 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.367 -9.901 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -20.500 -10.060 -6.064 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.733 -11.653 -5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -21.117 -11.197 -4.842 1.00 0.00 H new ATOM 76 N LEU A 9 -19.333 -8.632 -2.501 1.00 0.00 N ATOM 77 CA LEU A 9 -19.845 -7.493 -1.748 1.00 0.00 C ATOM 78 C LEU A 9 -19.994 -6.269 -2.647 1.00 0.00 C ATOM 79 O LEU A 9 -21.103 -5.904 -3.035 1.00 0.00 O ATOM 80 CB LEU A 9 -18.915 -7.170 -0.578 1.00 0.00 C ATOM 81 CG LEU A 9 -19.348 -6.014 0.325 1.00 0.00 C ATOM 82 CD1 LEU A 9 -20.546 -6.417 1.170 1.00 0.00 C ATOM 83 CD2 LEU A 9 -18.194 -5.568 1.211 1.00 0.00 C ATOM 0 H LEU A 9 -18.514 -9.077 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 9 -20.828 -7.758 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.812 -8.065 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.927 -6.942 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 9 -19.640 -5.175 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -20.840 -5.582 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -21.377 -6.687 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -20.281 -7.272 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -18.520 -4.745 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.871 -6.402 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.363 -5.238 0.588 1.00 0.00 H new ATOM 95 N GLN A 10 -18.869 -5.642 -2.975 1.00 0.00 N ATOM 96 CA GLN A 10 -18.875 -4.460 -3.829 1.00 0.00 C ATOM 97 C GLN A 10 -17.452 -4.006 -4.140 1.00 0.00 C ATOM 98 O GLN A 10 -16.636 -3.827 -3.236 1.00 0.00 O ATOM 99 CB GLN A 10 -19.650 -3.325 -3.159 1.00 0.00 C ATOM 100 CG GLN A 10 -19.420 -1.968 -3.805 1.00 0.00 C ATOM 101 CD GLN A 10 -20.155 -1.816 -5.122 1.00 0.00 C ATOM 102 OE1 GLN A 10 -19.991 -2.626 -6.035 1.00 0.00 O ATOM 103 NE2 GLN A 10 -20.971 -0.774 -5.229 1.00 0.00 N ATOM 0 H GLN A 10 -17.942 -5.932 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 10 -19.366 -4.722 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -20.715 -3.556 -3.188 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.364 -3.271 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.744 -1.184 -3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -18.352 -1.825 -3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.077 -0.127 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.492 -0.620 -6.093 1.00 0.00 H new ATOM 112 N ASP A 11 -17.163 -3.823 -5.423 1.00 0.00 N ATOM 113 CA ASP A 11 -15.839 -3.389 -5.854 1.00 0.00 C ATOM 114 C ASP A 11 -15.544 -1.974 -5.364 1.00 0.00 C ATOM 115 O ASP A 11 -16.064 -0.998 -5.906 1.00 0.00 O ATOM 116 CB ASP A 11 -15.730 -3.447 -7.379 1.00 0.00 C ATOM 117 CG ASP A 11 -16.707 -2.511 -8.064 1.00 0.00 C ATOM 118 OD1 ASP A 11 -17.927 -2.764 -7.984 1.00 0.00 O ATOM 119 OD2 ASP A 11 -16.250 -1.526 -8.681 1.00 0.00 O ATOM 0 H ASP A 11 -17.827 -3.968 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.103 -4.066 -5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.714 -3.190 -7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.912 -4.468 -7.715 1.00 0.00 H new ATOM 124 N ARG A 12 -14.709 -1.872 -4.335 1.00 0.00 N ATOM 125 CA ARG A 12 -14.348 -0.577 -3.771 1.00 0.00 C ATOM 126 C ARG A 12 -13.009 -0.656 -3.043 1.00 0.00 C ATOM 127 O ARG A 12 -12.799 -1.528 -2.199 1.00 0.00 O ATOM 128 CB ARG A 12 -15.435 -0.094 -2.810 1.00 0.00 C ATOM 129 CG ARG A 12 -15.110 1.230 -2.137 1.00 0.00 C ATOM 130 CD ARG A 12 -15.167 2.385 -3.125 1.00 0.00 C ATOM 131 NE ARG A 12 -14.771 3.649 -2.511 1.00 0.00 N ATOM 132 CZ ARG A 12 -14.531 4.758 -3.203 1.00 0.00 C ATOM 133 NH1 ARG A 12 -14.646 4.758 -4.523 1.00 0.00 N ATOM 134 NH2 ARG A 12 -14.175 5.870 -2.572 1.00 0.00 N ATOM 0 H ARG A 12 -14.270 -2.670 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 12 -14.255 0.135 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.373 0.007 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.593 -0.852 -2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.814 1.409 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.116 1.179 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.513 2.172 -3.970 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.179 2.475 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.673 3.683 -1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.919 3.905 -5.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.461 5.611 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.086 5.873 -1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.991 6.721 -3.103 1.00 0.00 H new ATOM 148 N THR A 13 -12.105 0.260 -3.376 1.00 0.00 N ATOM 149 CA THR A 13 -10.786 0.294 -2.756 1.00 0.00 C ATOM 150 C THR A 13 -10.676 1.443 -1.761 1.00 0.00 C ATOM 151 O THR A 13 -10.240 2.539 -2.112 1.00 0.00 O ATOM 152 CB THR A 13 -9.673 0.434 -3.811 1.00 0.00 C ATOM 153 OG1 THR A 13 -9.742 -0.651 -4.743 1.00 0.00 O ATOM 154 CG2 THR A 13 -8.302 0.456 -3.151 1.00 0.00 C ATOM 0 H THR A 13 -12.262 0.989 -4.072 1.00 0.00 H new ATOM 0 HA THR A 13 -10.660 -0.652 -2.229 1.00 0.00 H new ATOM 0 HB THR A 13 -9.820 1.376 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.032 -0.554 -5.412 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.532 0.556 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.242 1.300 -2.464 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.149 -0.472 -2.600 1.00 0.00 H new ATOM 162 N GLN A 14 -11.072 1.185 -0.519 1.00 0.00 N ATOM 163 CA GLN A 14 -11.017 2.200 0.527 1.00 0.00 C ATOM 164 C GLN A 14 -10.193 1.714 1.714 1.00 0.00 C ATOM 165 O GLN A 14 -10.298 0.557 2.124 1.00 0.00 O ATOM 166 CB GLN A 14 -12.429 2.566 0.986 1.00 0.00 C ATOM 167 CG GLN A 14 -12.517 3.927 1.659 1.00 0.00 C ATOM 168 CD GLN A 14 -13.846 4.151 2.353 1.00 0.00 C ATOM 169 OE1 GLN A 14 -14.766 3.342 2.232 1.00 0.00 O ATOM 170 NE2 GLN A 14 -13.952 5.252 3.087 1.00 0.00 N ATOM 0 H GLN A 14 -11.434 0.282 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.536 3.087 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -13.097 2.552 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.786 1.804 1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.711 4.021 2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.365 4.707 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -13.163 5.895 3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.822 5.455 3.579 1.00 0.00 H new ATOM 179 N PHE A 15 -9.373 2.604 2.263 1.00 0.00 N ATOM 180 CA PHE A 15 -8.530 2.264 3.404 1.00 0.00 C ATOM 181 C PHE A 15 -8.980 3.013 4.655 1.00 0.00 C ATOM 182 O PHE A 15 -9.439 4.152 4.578 1.00 0.00 O ATOM 183 CB PHE A 15 -7.067 2.593 3.098 1.00 0.00 C ATOM 184 CG PHE A 15 -6.388 1.564 2.240 1.00 0.00 C ATOM 185 CD1 PHE A 15 -6.364 0.232 2.619 1.00 0.00 C ATOM 186 CD2 PHE A 15 -5.774 1.930 1.052 1.00 0.00 C ATOM 187 CE1 PHE A 15 -5.740 -0.716 1.831 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.148 0.986 0.260 1.00 0.00 C ATOM 189 CZ PHE A 15 -5.132 -0.339 0.650 1.00 0.00 C ATOM 0 H PHE A 15 -9.274 3.565 1.937 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.625 1.194 3.589 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.017 3.561 2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.521 2.690 4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -6.839 -0.069 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.785 2.964 0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.728 -1.751 2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.672 1.284 -0.663 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.645 -1.079 0.032 1.00 0.00 H new ATOM 199 N SER A 16 -8.846 2.362 5.806 1.00 0.00 N ATOM 200 CA SER A 16 -9.243 2.963 7.074 1.00 0.00 C ATOM 201 C SER A 16 -8.023 3.450 7.850 1.00 0.00 C ATOM 202 O SER A 16 -6.910 2.963 7.649 1.00 0.00 O ATOM 203 CB SER A 16 -10.028 1.956 7.916 1.00 0.00 C ATOM 204 OG SER A 16 -11.231 1.579 7.270 1.00 0.00 O ATOM 0 H SER A 16 -8.466 1.419 5.887 1.00 0.00 H new ATOM 0 HA SER A 16 -9.880 3.820 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.416 1.072 8.096 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.255 2.390 8.890 1.00 0.00 H new ATOM 0 HG SER A 16 -11.713 0.934 7.828 1.00 0.00 H new ATOM 210 N ASP A 17 -8.240 4.415 8.737 1.00 0.00 N ATOM 211 CA ASP A 17 -7.160 4.969 9.545 1.00 0.00 C ATOM 212 C ASP A 17 -6.257 3.860 10.078 1.00 0.00 C ATOM 213 O ASP A 17 -5.045 3.878 9.865 1.00 0.00 O ATOM 214 CB ASP A 17 -7.730 5.783 10.708 1.00 0.00 C ATOM 215 CG ASP A 17 -8.901 6.649 10.289 1.00 0.00 C ATOM 216 OD1 ASP A 17 -10.018 6.110 10.149 1.00 0.00 O ATOM 217 OD2 ASP A 17 -8.700 7.867 10.102 1.00 0.00 O ATOM 0 H ASP A 17 -9.155 4.830 8.915 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.564 5.625 8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.048 5.105 11.500 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.945 6.415 11.125 1.00 0.00 H new ATOM 222 N ARG A 18 -6.856 2.899 10.773 1.00 0.00 N ATOM 223 CA ARG A 18 -6.106 1.784 11.339 1.00 0.00 C ATOM 224 C ARG A 18 -5.294 1.072 10.260 1.00 0.00 C ATOM 225 O ARG A 18 -4.106 0.804 10.439 1.00 0.00 O ATOM 226 CB ARG A 18 -7.055 0.793 12.015 1.00 0.00 C ATOM 227 CG ARG A 18 -7.524 1.240 13.390 1.00 0.00 C ATOM 228 CD ARG A 18 -8.527 2.379 13.294 1.00 0.00 C ATOM 229 NE ARG A 18 -9.729 1.989 12.562 1.00 0.00 N ATOM 230 CZ ARG A 18 -10.862 2.682 12.586 1.00 0.00 C ATOM 231 NH1 ARG A 18 -10.947 3.795 13.302 1.00 0.00 N ATOM 232 NH2 ARG A 18 -11.913 2.263 11.893 1.00 0.00 N ATOM 0 H ARG A 18 -7.859 2.870 10.958 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.418 2.183 12.084 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.924 0.642 11.375 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.555 -0.171 12.107 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.977 0.398 13.912 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.666 1.558 13.982 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.803 2.705 14.297 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.062 3.231 12.799 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.697 1.137 12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.141 4.121 13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.818 4.325 13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.852 1.408 11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.782 2.796 11.913 1.00 0.00 H new ATOM 246 N ASP A 19 -5.944 0.769 9.142 1.00 0.00 N ATOM 247 CA ASP A 19 -5.283 0.089 8.034 1.00 0.00 C ATOM 248 C ASP A 19 -4.086 0.894 7.539 1.00 0.00 C ATOM 249 O ASP A 19 -2.939 0.460 7.661 1.00 0.00 O ATOM 250 CB ASP A 19 -6.269 -0.141 6.888 1.00 0.00 C ATOM 251 CG ASP A 19 -7.165 -1.341 7.126 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.669 -2.482 7.019 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.361 -1.138 7.419 1.00 0.00 O ATOM 0 H ASP A 19 -6.928 0.983 8.979 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.925 -0.876 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.885 0.749 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.716 -0.283 5.960 1.00 0.00 H new ATOM 258 N LEU A 20 -4.360 2.067 6.979 1.00 0.00 N ATOM 259 CA LEU A 20 -3.305 2.933 6.463 1.00 0.00 C ATOM 260 C LEU A 20 -2.045 2.824 7.316 1.00 0.00 C ATOM 261 O LEU A 20 -0.953 2.591 6.800 1.00 0.00 O ATOM 262 CB LEU A 20 -3.784 4.385 6.424 1.00 0.00 C ATOM 263 CG LEU A 20 -4.544 4.808 5.166 1.00 0.00 C ATOM 264 CD1 LEU A 20 -5.265 6.127 5.396 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.595 4.916 3.981 1.00 0.00 C ATOM 0 H LEU A 20 -5.303 2.440 6.871 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.065 2.608 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.426 4.558 7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.917 5.036 6.536 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.289 4.045 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.800 6.412 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.974 6.016 6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.538 6.900 5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.153 5.218 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.827 5.658 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.125 3.949 3.802 1.00 0.00 H new ATOM 277 N ALA A 21 -2.206 2.992 8.625 1.00 0.00 N ATOM 278 CA ALA A 21 -1.083 2.908 9.550 1.00 0.00 C ATOM 279 C ALA A 21 -0.071 1.864 9.091 1.00 0.00 C ATOM 280 O ALA A 21 1.125 2.142 8.997 1.00 0.00 O ATOM 281 CB ALA A 21 -1.577 2.586 10.952 1.00 0.00 C ATOM 0 H ALA A 21 -3.104 3.187 9.068 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.584 3.877 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.727 2.526 11.632 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.256 3.370 11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.102 1.631 10.942 1.00 0.00 H new ATOM 287 N THR A 22 -0.557 0.660 8.806 1.00 0.00 N ATOM 288 CA THR A 22 0.305 -0.427 8.359 1.00 0.00 C ATOM 289 C THR A 22 1.077 -0.036 7.104 1.00 0.00 C ATOM 290 O THR A 22 2.305 -0.122 7.066 1.00 0.00 O ATOM 291 CB THR A 22 -0.505 -1.705 8.072 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.257 -2.079 9.232 1.00 0.00 O ATOM 293 CG2 THR A 22 0.413 -2.848 7.667 1.00 0.00 C ATOM 0 H THR A 22 -1.544 0.413 8.877 1.00 0.00 H new ATOM 0 HA THR A 22 1.008 -0.625 9.168 1.00 0.00 H new ATOM 0 HB THR A 22 -1.188 -1.499 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.643 -2.970 9.099 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.182 -3.740 7.469 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.963 -2.572 6.767 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.117 -3.053 8.474 1.00 0.00 H new ATOM 301 N LEU A 23 0.350 0.396 6.079 1.00 0.00 N ATOM 302 CA LEU A 23 0.967 0.802 4.821 1.00 0.00 C ATOM 303 C LEU A 23 1.928 1.967 5.037 1.00 0.00 C ATOM 304 O LEU A 23 3.119 1.868 4.738 1.00 0.00 O ATOM 305 CB LEU A 23 -0.108 1.195 3.806 1.00 0.00 C ATOM 306 CG LEU A 23 -0.680 0.056 2.960 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.965 0.495 2.275 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.342 -0.411 1.934 1.00 0.00 C ATOM 0 H LEU A 23 -0.667 0.474 6.094 1.00 0.00 H new ATOM 0 HA LEU A 23 1.533 -0.045 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.929 1.671 4.342 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.311 1.945 3.135 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.911 -0.781 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.358 -0.328 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.700 0.780 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.759 1.348 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.082 -1.222 1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.605 0.419 1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.236 -0.766 2.447 1.00 0.00 H new ATOM 320 N LYS A 24 1.404 3.070 5.560 1.00 0.00 N ATOM 321 CA LYS A 24 2.215 4.254 5.820 1.00 0.00 C ATOM 322 C LYS A 24 3.463 3.893 6.619 1.00 0.00 C ATOM 323 O LYS A 24 4.521 4.499 6.445 1.00 0.00 O ATOM 324 CB LYS A 24 1.397 5.301 6.578 1.00 0.00 C ATOM 325 CG LYS A 24 2.106 6.636 6.726 1.00 0.00 C ATOM 326 CD LYS A 24 2.934 6.689 7.999 1.00 0.00 C ATOM 327 CE LYS A 24 2.119 7.206 9.174 1.00 0.00 C ATOM 328 NZ LYS A 24 1.875 8.672 9.077 1.00 0.00 N ATOM 0 H LYS A 24 0.421 3.169 5.812 1.00 0.00 H new ATOM 0 HA LYS A 24 2.526 4.669 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.451 5.457 6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.157 4.915 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.751 6.804 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.371 7.441 6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.314 5.693 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.800 7.333 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.165 6.681 9.213 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.643 6.986 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.564 9.034 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.753 9.152 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.137 8.855 8.367 1.00 0.00 H new ATOM 342 N LYS A 25 3.334 2.902 7.495 1.00 0.00 N ATOM 343 CA LYS A 25 4.452 2.458 8.319 1.00 0.00 C ATOM 344 C LYS A 25 5.628 2.020 7.451 1.00 0.00 C ATOM 345 O LYS A 25 6.772 2.398 7.703 1.00 0.00 O ATOM 346 CB LYS A 25 4.017 1.305 9.226 1.00 0.00 C ATOM 347 CG LYS A 25 5.080 0.884 10.226 1.00 0.00 C ATOM 348 CD LYS A 25 5.296 1.945 11.291 1.00 0.00 C ATOM 349 CE LYS A 25 4.175 1.940 12.318 1.00 0.00 C ATOM 350 NZ LYS A 25 4.457 1.007 13.444 1.00 0.00 N ATOM 0 H LYS A 25 2.466 2.391 7.653 1.00 0.00 H new ATOM 0 HA LYS A 25 4.772 3.298 8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.117 1.599 9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.752 0.447 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.785 -0.053 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.018 0.696 9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.249 1.772 11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.356 2.927 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.036 2.948 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.241 1.654 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.669 1.033 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.565 0.041 13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.335 1.295 13.922 1.00 0.00 H new ATOM 364 N TYR A 26 5.338 1.224 6.428 1.00 0.00 N ATOM 365 CA TYR A 26 6.371 0.734 5.524 1.00 0.00 C ATOM 366 C TYR A 26 6.950 1.873 4.690 1.00 0.00 C ATOM 367 O TYR A 26 8.127 1.859 4.331 1.00 0.00 O ATOM 368 CB TYR A 26 5.803 -0.348 4.605 1.00 0.00 C ATOM 369 CG TYR A 26 5.767 -1.721 5.237 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.743 -2.082 6.105 1.00 0.00 C ATOM 371 CD2 TYR A 26 6.755 -2.659 4.966 1.00 0.00 C ATOM 372 CE1 TYR A 26 4.706 -3.335 6.685 1.00 0.00 C ATOM 373 CE2 TYR A 26 6.726 -3.915 5.540 1.00 0.00 C ATOM 374 CZ TYR A 26 5.700 -4.248 6.400 1.00 0.00 C ATOM 375 OH TYR A 26 5.666 -5.498 6.975 1.00 0.00 O ATOM 0 H TYR A 26 4.396 0.904 6.204 1.00 0.00 H new ATOM 0 HA TYR A 26 7.172 0.305 6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.792 -0.067 4.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.402 -0.391 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.963 -1.370 6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.561 -2.402 4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.903 -3.598 7.358 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.502 -4.632 5.317 1.00 0.00 H new ATOM 0 HH TYR A 26 6.437 -6.020 6.670 1.00 0.00 H new ATOM 385 N TRP A 27 6.113 2.859 4.386 1.00 0.00 N ATOM 386 CA TRP A 27 6.540 4.007 3.594 1.00 0.00 C ATOM 387 C TRP A 27 7.725 4.708 4.248 1.00 0.00 C ATOM 388 O TRP A 27 8.537 5.338 3.570 1.00 0.00 O ATOM 389 CB TRP A 27 5.382 4.991 3.420 1.00 0.00 C ATOM 390 CG TRP A 27 5.761 6.224 2.658 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.585 7.228 3.080 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.327 6.586 1.342 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.691 8.191 2.105 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.929 7.820 1.029 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.491 5.985 0.396 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.719 8.463 -0.188 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.283 6.625 -0.811 1.00 0.00 C ATOM 398 CH2 TRP A 27 4.896 7.853 -1.095 1.00 0.00 C ATOM 0 H TRP A 27 5.135 2.886 4.676 1.00 0.00 H new ATOM 0 HA TRP A 27 6.851 3.646 2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.563 4.490 2.903 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.009 5.280 4.403 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.081 7.261 4.039 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.247 9.044 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.016 5.038 0.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.189 9.410 -0.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.637 6.171 -1.548 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.715 8.327 -2.048 1.00 0.00 H new ATOM 409 N ASP A 28 7.820 4.594 5.568 1.00 0.00 N ATOM 410 CA ASP A 28 8.908 5.217 6.314 1.00 0.00 C ATOM 411 C ASP A 28 10.245 4.570 5.966 1.00 0.00 C ATOM 412 O ASP A 28 11.301 5.047 6.377 1.00 0.00 O ATOM 413 CB ASP A 28 8.651 5.109 7.818 1.00 0.00 C ATOM 414 CG ASP A 28 9.720 5.803 8.639 1.00 0.00 C ATOM 415 OD1 ASP A 28 9.860 7.037 8.509 1.00 0.00 O ATOM 416 OD2 ASP A 28 10.418 5.112 9.410 1.00 0.00 O ATOM 0 H ASP A 28 7.157 4.076 6.144 1.00 0.00 H new ATOM 0 HA ASP A 28 8.951 6.270 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.679 5.544 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.605 4.057 8.101 1.00 0.00 H new ATOM 421 N ASN A 29 10.189 3.481 5.206 1.00 0.00 N ATOM 422 CA ASN A 29 11.396 2.768 4.804 1.00 0.00 C ATOM 423 C ASN A 29 11.635 2.905 3.303 1.00 0.00 C ATOM 424 O ASN A 29 12.374 2.123 2.707 1.00 0.00 O ATOM 425 CB ASN A 29 11.289 1.289 5.181 1.00 0.00 C ATOM 426 CG ASN A 29 11.810 1.009 6.577 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.018 1.009 6.813 1.00 0.00 O ATOM 428 ND2 ASN A 29 10.898 0.768 7.512 1.00 0.00 N ATOM 0 H ASN A 29 9.322 3.073 4.857 1.00 0.00 H new ATOM 0 HA ASN A 29 12.241 3.211 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.247 0.975 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 29 11.848 0.692 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.189 0.573 8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.907 0.778 7.272 1.00 0.00 H new ATOM 435 N GLY A 30 11.003 3.907 2.698 1.00 0.00 N ATOM 436 CA GLY A 30 11.160 4.130 1.273 1.00 0.00 C ATOM 437 C GLY A 30 10.259 3.236 0.444 1.00 0.00 C ATOM 438 O GLY A 30 10.606 2.861 -0.676 1.00 0.00 O ATOM 0 H GLY A 30 10.385 4.568 3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.941 5.173 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.199 3.954 0.993 1.00 0.00 H new ATOM 442 N MET A 31 9.099 2.894 0.995 1.00 0.00 N ATOM 443 CA MET A 31 8.146 2.038 0.299 1.00 0.00 C ATOM 444 C MET A 31 7.387 2.824 -0.766 1.00 0.00 C ATOM 445 O MET A 31 6.160 2.753 -0.849 1.00 0.00 O ATOM 446 CB MET A 31 7.160 1.421 1.293 1.00 0.00 C ATOM 447 CG MET A 31 6.641 0.057 0.867 1.00 0.00 C ATOM 448 SD MET A 31 5.001 -0.299 1.527 1.00 0.00 S ATOM 449 CE MET A 31 4.052 1.044 0.817 1.00 0.00 C ATOM 0 H MET A 31 8.797 3.196 1.921 1.00 0.00 H new ATOM 0 HA MET A 31 8.703 1.240 -0.191 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.646 1.329 2.264 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.315 2.098 1.422 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.609 0.009 -0.221 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.337 -0.713 1.200 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.115 0.656 0.417 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.838 1.785 1.587 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.624 1.509 0.014 1.00 0.00 H new ATOM 459 N THR A 32 8.124 3.573 -1.580 1.00 0.00 N ATOM 460 CA THR A 32 7.520 4.373 -2.638 1.00 0.00 C ATOM 461 C THR A 32 7.781 3.759 -4.009 1.00 0.00 C ATOM 462 O THR A 32 6.961 3.878 -4.919 1.00 0.00 O ATOM 463 CB THR A 32 8.056 5.817 -2.625 1.00 0.00 C ATOM 464 OG1 THR A 32 9.455 5.824 -2.929 1.00 0.00 O ATOM 465 CG2 THR A 32 7.823 6.469 -1.271 1.00 0.00 C ATOM 0 H THR A 32 9.140 3.642 -1.527 1.00 0.00 H new ATOM 0 HA THR A 32 6.447 4.389 -2.449 1.00 0.00 H new ATOM 0 HB THR A 32 7.518 6.387 -3.382 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.787 6.746 -2.920 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.210 7.488 -1.286 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.755 6.490 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.337 5.897 -0.499 1.00 0.00 H new ATOM 473 N SER A 33 8.927 3.101 -4.149 1.00 0.00 N ATOM 474 CA SER A 33 9.297 2.470 -5.410 1.00 0.00 C ATOM 475 C SER A 33 8.549 1.153 -5.599 1.00 0.00 C ATOM 476 O SER A 33 8.371 0.385 -4.653 1.00 0.00 O ATOM 477 CB SER A 33 10.806 2.223 -5.458 1.00 0.00 C ATOM 478 OG SER A 33 11.526 3.408 -5.166 1.00 0.00 O ATOM 0 H SER A 33 9.615 2.991 -3.404 1.00 0.00 H new ATOM 0 HA SER A 33 9.020 3.145 -6.220 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.073 1.446 -4.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.087 1.857 -6.446 1.00 0.00 H new ATOM 0 HG SER A 33 12.488 3.223 -5.201 1.00 0.00 H new ATOM 484 N LEU A 34 8.113 0.899 -6.828 1.00 0.00 N ATOM 485 CA LEU A 34 7.384 -0.324 -7.144 1.00 0.00 C ATOM 486 C LEU A 34 8.345 -1.480 -7.403 1.00 0.00 C ATOM 487 O LEU A 34 8.034 -2.635 -7.118 1.00 0.00 O ATOM 488 CB LEU A 34 6.488 -0.107 -8.364 1.00 0.00 C ATOM 489 CG LEU A 34 5.113 0.502 -8.088 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.636 1.309 -9.285 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.108 -0.587 -7.743 1.00 0.00 C ATOM 0 H LEU A 34 8.252 1.524 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 34 6.762 -0.579 -6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.015 0.539 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.345 -1.067 -8.860 1.00 0.00 H new ATOM 0 HG LEU A 34 5.199 1.174 -7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.656 1.735 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.344 2.113 -9.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.566 0.659 -10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.135 -0.136 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.026 -1.284 -8.577 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.443 -1.123 -6.855 1.00 0.00 H new ATOM 503 N GLY A 35 9.517 -1.159 -7.944 1.00 0.00 N ATOM 504 CA GLY A 35 10.506 -2.180 -8.231 1.00 0.00 C ATOM 505 C GLY A 35 10.562 -3.250 -7.159 1.00 0.00 C ATOM 506 O GLY A 35 10.136 -3.026 -6.026 1.00 0.00 O ATOM 0 H GLY A 35 9.798 -0.209 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.278 -2.643 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.487 -1.715 -8.327 1.00 0.00 H new ATOM 510 N SER A 36 11.088 -4.418 -7.517 1.00 0.00 N ATOM 511 CA SER A 36 11.193 -5.529 -6.578 1.00 0.00 C ATOM 512 C SER A 36 11.777 -5.063 -5.248 1.00 0.00 C ATOM 513 O SER A 36 11.345 -5.498 -4.180 1.00 0.00 O ATOM 514 CB SER A 36 12.062 -6.641 -7.167 1.00 0.00 C ATOM 515 OG SER A 36 11.294 -7.511 -7.982 1.00 0.00 O ATOM 0 H SER A 36 11.448 -4.619 -8.450 1.00 0.00 H new ATOM 0 HA SER A 36 10.190 -5.917 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.868 -6.204 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.527 -7.209 -6.361 1.00 0.00 H new ATOM 0 HG SER A 36 11.873 -8.212 -8.348 1.00 0.00 H new ATOM 521 N VAL A 37 12.762 -4.173 -5.320 1.00 0.00 N ATOM 522 CA VAL A 37 13.406 -3.646 -4.123 1.00 0.00 C ATOM 523 C VAL A 37 12.396 -3.449 -2.998 1.00 0.00 C ATOM 524 O VAL A 37 12.715 -3.639 -1.823 1.00 0.00 O ATOM 525 CB VAL A 37 14.109 -2.306 -4.408 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.143 -1.321 -5.048 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.699 -1.732 -3.128 1.00 0.00 C ATOM 0 H VAL A 37 13.131 -3.802 -6.195 1.00 0.00 H new ATOM 0 HA VAL A 37 14.151 -4.380 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 37 14.924 -2.485 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 37 13.658 -0.380 -5.242 1.00 0.00 H new ATOM 0 HG12 VAL A 37 12.773 -1.732 -5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.305 -1.144 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.192 -0.785 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.903 -1.567 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.425 -2.432 -2.716 1.00 0.00 H new ATOM 537 N CYS A 38 11.178 -3.067 -3.364 1.00 0.00 N ATOM 538 CA CYS A 38 10.120 -2.843 -2.385 1.00 0.00 C ATOM 539 C CYS A 38 9.090 -3.967 -2.431 1.00 0.00 C ATOM 540 O CYS A 38 8.533 -4.354 -1.404 1.00 0.00 O ATOM 541 CB CYS A 38 9.437 -1.498 -2.640 1.00 0.00 C ATOM 542 SG CYS A 38 10.454 -0.063 -2.222 1.00 0.00 S ATOM 0 H CYS A 38 10.898 -2.906 -4.332 1.00 0.00 H new ATOM 0 HA CYS A 38 10.573 -2.830 -1.394 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.158 -1.438 -3.692 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.514 -1.456 -2.062 1.00 0.00 H new ATOM 0 HG CYS A 38 9.791 1.027 -2.474 1.00 0.00 H new ATOM 548 N ARG A 39 8.840 -4.485 -3.629 1.00 0.00 N ATOM 549 CA ARG A 39 7.875 -5.563 -3.810 1.00 0.00 C ATOM 550 C ARG A 39 7.934 -6.546 -2.644 1.00 0.00 C ATOM 551 O ARG A 39 6.905 -7.041 -2.186 1.00 0.00 O ATOM 552 CB ARG A 39 8.139 -6.298 -5.125 1.00 0.00 C ATOM 553 CG ARG A 39 7.025 -7.251 -5.524 1.00 0.00 C ATOM 554 CD ARG A 39 7.182 -7.721 -6.962 1.00 0.00 C ATOM 555 NE ARG A 39 5.941 -8.277 -7.495 1.00 0.00 N ATOM 556 CZ ARG A 39 5.869 -8.952 -8.637 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.961 -9.155 -9.361 1.00 0.00 N ATOM 558 NH2 ARG A 39 4.703 -9.427 -9.055 1.00 0.00 N ATOM 0 H ARG A 39 9.293 -4.175 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 39 6.878 -5.123 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.280 -5.565 -5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.070 -6.857 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.025 -8.113 -4.856 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.061 -6.756 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.501 -6.885 -7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.968 -8.474 -7.013 1.00 0.00 H new ATOM 0 HE ARG A 39 5.083 -8.140 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.859 -8.793 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.903 -9.674 -10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.861 -9.274 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.648 -9.945 -9.932 1.00 0.00 H new ATOM 572 N GLU A 40 9.145 -6.823 -2.171 1.00 0.00 N ATOM 573 CA GLU A 40 9.337 -7.748 -1.060 1.00 0.00 C ATOM 574 C GLU A 40 8.577 -7.277 0.177 1.00 0.00 C ATOM 575 O GLU A 40 7.910 -8.066 0.848 1.00 0.00 O ATOM 576 CB GLU A 40 10.825 -7.888 -0.735 1.00 0.00 C ATOM 577 CG GLU A 40 11.520 -8.984 -1.526 1.00 0.00 C ATOM 578 CD GLU A 40 12.861 -9.370 -0.933 1.00 0.00 C ATOM 579 OE1 GLU A 40 12.878 -9.934 0.181 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.895 -9.108 -1.584 1.00 0.00 O ATOM 0 H GLU A 40 10.007 -6.421 -2.539 1.00 0.00 H new ATOM 0 HA GLU A 40 8.945 -8.720 -1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.322 -6.938 -0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.938 -8.092 0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.877 -9.863 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.664 -8.650 -2.554 1.00 0.00 H new ATOM 587 N LYS A 41 8.684 -5.987 0.475 1.00 0.00 N ATOM 588 CA LYS A 41 8.008 -5.409 1.630 1.00 0.00 C ATOM 589 C LYS A 41 6.493 -5.456 1.454 1.00 0.00 C ATOM 590 O LYS A 41 5.764 -5.834 2.371 1.00 0.00 O ATOM 591 CB LYS A 41 8.462 -3.963 1.842 1.00 0.00 C ATOM 592 CG LYS A 41 9.966 -3.814 1.996 1.00 0.00 C ATOM 593 CD LYS A 41 10.442 -4.326 3.345 1.00 0.00 C ATOM 594 CE LYS A 41 10.432 -3.225 4.394 1.00 0.00 C ATOM 595 NZ LYS A 41 11.234 -3.594 5.594 1.00 0.00 N ATOM 0 H LYS A 41 9.233 -5.321 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 41 8.273 -5.999 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.130 -3.359 0.997 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.973 -3.564 2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.470 -4.361 1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.242 -2.765 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.802 -5.146 3.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.450 -4.728 3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.829 -2.307 3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.405 -3.018 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.202 -2.818 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.841 -4.456 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.220 -3.767 5.313 1.00 0.00 H new ATOM 609 N ILE A 42 6.028 -5.071 0.271 1.00 0.00 N ATOM 610 CA ILE A 42 4.600 -5.073 -0.025 1.00 0.00 C ATOM 611 C ILE A 42 3.971 -6.420 0.311 1.00 0.00 C ATOM 612 O ILE A 42 2.902 -6.482 0.918 1.00 0.00 O ATOM 613 CB ILE A 42 4.332 -4.749 -1.507 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.778 -3.321 -1.828 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.858 -4.935 -1.831 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.186 -3.126 -3.271 1.00 0.00 C ATOM 0 H ILE A 42 6.618 -4.754 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 42 4.148 -4.299 0.595 1.00 0.00 H new ATOM 0 HB ILE A 42 4.909 -5.437 -2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.966 -2.634 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.616 -3.057 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.684 -4.702 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.570 -5.968 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.262 -4.268 -1.208 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.490 -2.091 -3.426 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.019 -3.788 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.343 -3.358 -3.922 1.00 0.00 H new ATOM 628 N GLU A 43 4.642 -7.497 -0.086 1.00 0.00 N ATOM 629 CA GLU A 43 4.147 -8.843 0.175 1.00 0.00 C ATOM 630 C GLU A 43 3.791 -9.016 1.648 1.00 0.00 C ATOM 631 O GLU A 43 3.005 -9.892 2.009 1.00 0.00 O ATOM 632 CB GLU A 43 5.194 -9.883 -0.233 1.00 0.00 C ATOM 633 CG GLU A 43 5.476 -9.908 -1.726 1.00 0.00 C ATOM 634 CD GLU A 43 6.007 -11.249 -2.196 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.234 -11.464 -2.108 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.196 -12.081 -2.653 1.00 0.00 O ATOM 0 H GLU A 43 5.529 -7.463 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 43 3.245 -8.992 -0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.123 -9.680 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.855 -10.870 0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.561 -9.673 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.199 -9.129 -1.969 1.00 0.00 H new ATOM 643 N ALA A 44 4.375 -8.175 2.495 1.00 0.00 N ATOM 644 CA ALA A 44 4.119 -8.233 3.929 1.00 0.00 C ATOM 645 C ALA A 44 2.900 -7.396 4.303 1.00 0.00 C ATOM 646 O ALA A 44 1.886 -7.926 4.757 1.00 0.00 O ATOM 647 CB ALA A 44 5.341 -7.763 4.703 1.00 0.00 C ATOM 0 H ALA A 44 5.029 -7.445 2.213 1.00 0.00 H new ATOM 0 HA ALA A 44 3.911 -9.270 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.135 -7.812 5.772 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.190 -8.405 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.575 -6.735 4.425 1.00 0.00 H new ATOM 653 N VAL A 45 3.006 -6.085 4.109 1.00 0.00 N ATOM 654 CA VAL A 45 1.912 -5.175 4.426 1.00 0.00 C ATOM 655 C VAL A 45 0.594 -5.675 3.845 1.00 0.00 C ATOM 656 O VAL A 45 -0.479 -5.380 4.370 1.00 0.00 O ATOM 657 CB VAL A 45 2.190 -3.757 3.892 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.144 -3.740 2.372 1.00 0.00 C ATOM 659 CG2 VAL A 45 1.195 -2.764 4.475 1.00 0.00 C ATOM 0 H VAL A 45 3.838 -5.630 3.734 1.00 0.00 H new ATOM 0 HA VAL A 45 1.836 -5.139 5.513 1.00 0.00 H new ATOM 0 HB VAL A 45 3.191 -3.460 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.343 -2.730 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.899 -4.420 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.157 -4.057 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.406 -1.767 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.183 -3.056 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.283 -2.757 5.561 1.00 0.00 H new ATOM 669 N ALA A 46 0.684 -6.435 2.759 1.00 0.00 N ATOM 670 CA ALA A 46 -0.501 -6.980 2.107 1.00 0.00 C ATOM 671 C ALA A 46 -1.058 -8.168 2.885 1.00 0.00 C ATOM 672 O ALA A 46 -2.265 -8.267 3.107 1.00 0.00 O ATOM 673 CB ALA A 46 -0.177 -7.387 0.678 1.00 0.00 C ATOM 0 H ALA A 46 1.565 -6.688 2.312 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.265 -6.202 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.071 -7.792 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.167 -6.516 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.606 -8.145 0.684 1.00 0.00 H new ATOM 679 N THR A 47 -0.171 -9.068 3.296 1.00 0.00 N ATOM 680 CA THR A 47 -0.574 -10.250 4.047 1.00 0.00 C ATOM 681 C THR A 47 -0.986 -9.885 5.469 1.00 0.00 C ATOM 682 O THR A 47 -1.721 -10.625 6.121 1.00 0.00 O ATOM 683 CB THR A 47 0.559 -11.292 4.106 1.00 0.00 C ATOM 684 OG1 THR A 47 0.034 -12.566 4.494 1.00 0.00 O ATOM 685 CG2 THR A 47 1.639 -10.863 5.087 1.00 0.00 C ATOM 0 H THR A 47 0.832 -9.001 3.121 1.00 0.00 H new ATOM 0 HA THR A 47 -1.427 -10.680 3.523 1.00 0.00 H new ATOM 0 HB THR A 47 1.002 -11.370 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.761 -13.223 4.528 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.428 -11.615 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.058 -9.907 4.772 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.206 -10.759 6.082 1.00 0.00 H new ATOM 693 N GLU A 48 -0.508 -8.738 5.942 1.00 0.00 N ATOM 694 CA GLU A 48 -0.828 -8.275 7.287 1.00 0.00 C ATOM 695 C GLU A 48 -2.233 -7.682 7.339 1.00 0.00 C ATOM 696 O GLU A 48 -2.917 -7.764 8.360 1.00 0.00 O ATOM 697 CB GLU A 48 0.194 -7.235 7.749 1.00 0.00 C ATOM 698 CG GLU A 48 -0.262 -6.425 8.952 1.00 0.00 C ATOM 699 CD GLU A 48 -0.785 -7.297 10.078 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.078 -8.251 10.464 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.899 -7.025 10.571 1.00 0.00 O ATOM 0 H GLU A 48 0.101 -8.113 5.414 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.790 -9.134 7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.128 -7.740 7.995 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.407 -6.556 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.571 -5.825 9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.043 -5.730 8.643 1.00 0.00 H new ATOM 708 N LEU A 49 -2.657 -7.084 6.231 1.00 0.00 N ATOM 709 CA LEU A 49 -3.980 -6.475 6.148 1.00 0.00 C ATOM 710 C LEU A 49 -4.983 -7.436 5.517 1.00 0.00 C ATOM 711 O LEU A 49 -6.178 -7.151 5.457 1.00 0.00 O ATOM 712 CB LEU A 49 -3.918 -5.180 5.337 1.00 0.00 C ATOM 713 CG LEU A 49 -3.195 -4.007 5.999 1.00 0.00 C ATOM 714 CD1 LEU A 49 -3.016 -2.864 5.012 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.956 -3.538 7.230 1.00 0.00 C ATOM 0 H LEU A 49 -2.104 -7.008 5.378 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.311 -6.246 7.161 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.428 -5.393 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.937 -4.870 5.107 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.208 -4.345 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.500 -2.038 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.427 -3.207 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.993 -2.526 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.427 -2.703 7.688 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.957 -3.218 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.031 -4.357 7.946 1.00 0.00 H new ATOM 727 N ASN A 50 -4.488 -8.578 5.050 1.00 0.00 N ATOM 728 CA ASN A 50 -5.340 -9.582 4.425 1.00 0.00 C ATOM 729 C ASN A 50 -6.034 -9.015 3.191 1.00 0.00 C ATOM 730 O ASN A 50 -7.222 -9.251 2.969 1.00 0.00 O ATOM 731 CB ASN A 50 -6.384 -10.088 5.424 1.00 0.00 C ATOM 732 CG ASN A 50 -5.846 -11.191 6.314 1.00 0.00 C ATOM 733 OD1 ASN A 50 -4.639 -11.294 6.534 1.00 0.00 O ATOM 734 ND2 ASN A 50 -6.742 -12.024 6.830 1.00 0.00 N ATOM 0 H ASN A 50 -3.501 -8.831 5.093 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.710 -10.415 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.722 -9.258 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.255 -10.456 4.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.440 -12.787 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.733 -11.901 6.621 1.00 0.00 H new ATOM 741 N VAL A 51 -5.284 -8.267 2.389 1.00 0.00 N ATOM 742 CA VAL A 51 -5.825 -7.667 1.175 1.00 0.00 C ATOM 743 C VAL A 51 -5.002 -8.059 -0.047 1.00 0.00 C ATOM 744 O VAL A 51 -3.917 -8.628 0.080 1.00 0.00 O ATOM 745 CB VAL A 51 -5.868 -6.131 1.279 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.701 -5.700 2.477 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.460 -5.563 1.367 1.00 0.00 C ATOM 0 H VAL A 51 -4.299 -8.062 2.558 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.841 -8.045 1.062 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.338 -5.737 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.720 -4.612 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.718 -6.075 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.262 -6.104 3.389 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.510 -4.477 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.961 -5.963 2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.899 -5.841 0.475 1.00 0.00 H new ATOM 757 N ASP A 52 -5.524 -7.752 -1.229 1.00 0.00 N ATOM 758 CA ASP A 52 -4.836 -8.071 -2.475 1.00 0.00 C ATOM 759 C ASP A 52 -3.615 -7.177 -2.666 1.00 0.00 C ATOM 760 O ASP A 52 -3.732 -5.951 -2.708 1.00 0.00 O ATOM 761 CB ASP A 52 -5.788 -7.916 -3.662 1.00 0.00 C ATOM 762 CG ASP A 52 -6.704 -9.113 -3.830 1.00 0.00 C ATOM 763 OD1 ASP A 52 -6.335 -10.212 -3.365 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.789 -8.950 -4.426 1.00 0.00 O ATOM 0 H ASP A 52 -6.421 -7.283 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.500 -9.107 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.390 -7.018 -3.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.207 -7.776 -4.574 1.00 0.00 H new ATOM 769 N CYS A 53 -2.446 -7.797 -2.780 1.00 0.00 N ATOM 770 CA CYS A 53 -1.203 -7.057 -2.964 1.00 0.00 C ATOM 771 C CYS A 53 -1.406 -5.881 -3.915 1.00 0.00 C ATOM 772 O CYS A 53 -0.960 -4.767 -3.642 1.00 0.00 O ATOM 773 CB CYS A 53 -0.110 -7.981 -3.504 1.00 0.00 C ATOM 774 SG CYS A 53 -0.056 -9.603 -2.706 1.00 0.00 S ATOM 0 H CYS A 53 -2.333 -8.810 -2.748 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.894 -6.668 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.262 -8.119 -4.574 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.857 -7.494 -3.379 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.927 -9.641 -1.742 1.00 0.00 H new ATOM 780 N GLU A 54 -2.080 -6.139 -5.031 1.00 0.00 N ATOM 781 CA GLU A 54 -2.339 -5.102 -6.023 1.00 0.00 C ATOM 782 C GLU A 54 -2.805 -3.812 -5.352 1.00 0.00 C ATOM 783 O GLU A 54 -2.242 -2.742 -5.584 1.00 0.00 O ATOM 784 CB GLU A 54 -3.391 -5.576 -7.027 1.00 0.00 C ATOM 785 CG GLU A 54 -3.048 -6.901 -7.688 1.00 0.00 C ATOM 786 CD GLU A 54 -3.580 -8.093 -6.916 1.00 0.00 C ATOM 787 OE1 GLU A 54 -4.803 -8.339 -6.974 1.00 0.00 O ATOM 788 OE2 GLU A 54 -2.774 -8.779 -6.253 1.00 0.00 O ATOM 0 H GLU A 54 -2.456 -7.056 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.408 -4.901 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.350 -5.671 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.514 -4.816 -7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.457 -6.915 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.965 -6.987 -7.781 1.00 0.00 H new ATOM 795 N ILE A 55 -3.835 -3.924 -4.521 1.00 0.00 N ATOM 796 CA ILE A 55 -4.377 -2.768 -3.817 1.00 0.00 C ATOM 797 C ILE A 55 -3.265 -1.944 -3.178 1.00 0.00 C ATOM 798 O ILE A 55 -3.306 -0.713 -3.186 1.00 0.00 O ATOM 799 CB ILE A 55 -5.378 -3.191 -2.727 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.534 -3.982 -3.344 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.901 -1.970 -1.985 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.384 -4.706 -2.324 1.00 0.00 C ATOM 0 H ILE A 55 -4.311 -4.803 -4.318 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.896 -2.161 -4.559 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.864 -3.833 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.166 -3.301 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.131 -4.708 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.608 -2.286 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.069 -1.444 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.402 -1.304 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.183 -5.245 -2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.765 -5.412 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.817 -3.983 -1.632 1.00 0.00 H new ATOM 814 N VAL A 56 -2.270 -2.630 -2.625 1.00 0.00 N ATOM 815 CA VAL A 56 -1.144 -1.962 -1.983 1.00 0.00 C ATOM 816 C VAL A 56 -0.215 -1.334 -3.017 1.00 0.00 C ATOM 817 O VAL A 56 -0.001 -0.122 -3.018 1.00 0.00 O ATOM 818 CB VAL A 56 -0.335 -2.939 -1.109 1.00 0.00 C ATOM 819 CG1 VAL A 56 0.928 -2.270 -0.589 1.00 0.00 C ATOM 820 CG2 VAL A 56 -1.187 -3.455 0.040 1.00 0.00 C ATOM 0 H VAL A 56 -2.221 -3.649 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.560 -1.179 -1.349 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.040 -3.790 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.486 -2.975 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.545 -1.954 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.659 -1.400 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.600 -4.144 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.514 -2.617 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.059 -3.975 -0.358 1.00 0.00 H new ATOM 830 N ARG A 57 0.332 -2.167 -3.896 1.00 0.00 N ATOM 831 CA ARG A 57 1.239 -1.694 -4.935 1.00 0.00 C ATOM 832 C ARG A 57 0.647 -0.493 -5.666 1.00 0.00 C ATOM 833 O ARG A 57 1.365 0.436 -6.040 1.00 0.00 O ATOM 834 CB ARG A 57 1.535 -2.816 -5.932 1.00 0.00 C ATOM 835 CG ARG A 57 2.743 -3.659 -5.558 1.00 0.00 C ATOM 836 CD ARG A 57 2.800 -4.943 -6.371 1.00 0.00 C ATOM 837 NE ARG A 57 3.060 -4.684 -7.785 1.00 0.00 N ATOM 838 CZ ARG A 57 4.243 -4.307 -8.258 1.00 0.00 C ATOM 839 NH1 ARG A 57 5.269 -4.146 -7.434 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.401 -4.091 -9.557 1.00 0.00 N ATOM 0 H ARG A 57 0.163 -3.173 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 57 2.170 -1.386 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.661 -3.463 -6.009 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.697 -2.381 -6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.654 -3.083 -5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.704 -3.901 -4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.580 -5.591 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.857 -5.480 -6.268 1.00 0.00 H new ATOM 0 HE ARG A 57 2.291 -4.799 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.151 -4.312 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.176 -3.857 -7.800 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.614 -4.214 -10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.310 -3.802 -9.919 1.00 0.00 H new ATOM 854 N THR A 58 -0.667 -0.516 -5.867 1.00 0.00 N ATOM 855 CA THR A 58 -1.355 0.569 -6.554 1.00 0.00 C ATOM 856 C THR A 58 -1.452 1.806 -5.669 1.00 0.00 C ATOM 857 O THR A 58 -1.326 2.934 -6.146 1.00 0.00 O ATOM 858 CB THR A 58 -2.772 0.150 -6.990 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.707 -1.031 -7.796 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.450 1.266 -7.769 1.00 0.00 C ATOM 0 H THR A 58 -1.276 -1.276 -5.563 1.00 0.00 H new ATOM 0 HA THR A 58 -0.766 0.805 -7.440 1.00 0.00 H new ATOM 0 HB THR A 58 -3.359 -0.054 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.541 -1.809 -7.224 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.449 0.947 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.524 2.154 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.863 1.497 -8.658 1.00 0.00 H new ATOM 868 N TRP A 59 -1.677 1.588 -4.378 1.00 0.00 N ATOM 869 CA TRP A 59 -1.790 2.686 -3.426 1.00 0.00 C ATOM 870 C TRP A 59 -0.511 3.515 -3.396 1.00 0.00 C ATOM 871 O TRP A 59 -0.554 4.733 -3.218 1.00 0.00 O ATOM 872 CB TRP A 59 -2.096 2.147 -2.028 1.00 0.00 C ATOM 873 CG TRP A 59 -1.917 3.167 -0.945 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.870 4.008 -0.445 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.710 3.455 -0.230 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.328 4.802 0.537 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.005 4.481 0.689 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.590 2.945 -0.276 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.046 5.005 1.552 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.540 3.466 0.582 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.218 4.487 1.486 1.00 0.00 C ATOM 0 H TRP A 59 -1.785 0.661 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.610 3.329 -3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.122 1.779 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.447 1.295 -1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.898 4.044 -0.773 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.830 5.515 1.067 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.848 2.158 -0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.292 5.793 2.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.548 3.079 0.555 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.983 4.872 2.144 1.00 0.00 H new ATOM 892 N ILE A 60 0.625 2.849 -3.570 1.00 0.00 N ATOM 893 CA ILE A 60 1.916 3.526 -3.564 1.00 0.00 C ATOM 894 C ILE A 60 2.030 4.502 -4.730 1.00 0.00 C ATOM 895 O ILE A 60 2.203 5.704 -4.532 1.00 0.00 O ATOM 896 CB ILE A 60 3.079 2.519 -3.636 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.071 1.608 -2.407 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.408 3.253 -3.750 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.093 0.495 -2.474 1.00 0.00 C ATOM 0 H ILE A 60 0.678 1.841 -3.717 1.00 0.00 H new ATOM 0 HA ILE A 60 1.980 4.076 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 60 2.950 1.900 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.258 2.210 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.078 1.173 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.221 2.528 -3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.410 3.864 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.546 3.893 -2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.031 -0.111 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.894 -0.130 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.092 0.923 -2.556 1.00 0.00 H new ATOM 911 N GLY A 61 1.930 3.977 -5.947 1.00 0.00 N ATOM 912 CA GLY A 61 2.023 4.816 -7.128 1.00 0.00 C ATOM 913 C GLY A 61 1.091 6.010 -7.065 1.00 0.00 C ATOM 914 O GLY A 61 1.464 7.118 -7.448 1.00 0.00 O ATOM 0 H GLY A 61 1.786 2.985 -6.137 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.049 5.165 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.789 4.222 -8.011 1.00 0.00 H new ATOM 918 N ASN A 62 -0.127 5.783 -6.582 1.00 0.00 N ATOM 919 CA ASN A 62 -1.116 6.849 -6.472 1.00 0.00 C ATOM 920 C ASN A 62 -0.624 7.955 -5.543 1.00 0.00 C ATOM 921 O ASN A 62 -0.675 9.136 -5.886 1.00 0.00 O ATOM 922 CB ASN A 62 -2.444 6.290 -5.959 1.00 0.00 C ATOM 923 CG ASN A 62 -3.291 5.699 -7.070 1.00 0.00 C ATOM 924 OD1 ASN A 62 -3.000 5.883 -8.252 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.346 4.985 -6.694 1.00 0.00 N ATOM 0 H ASN A 62 -0.452 4.871 -6.261 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.267 7.274 -7.464 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.247 5.524 -5.209 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.002 7.084 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.953 4.563 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.549 4.859 -5.702 1.00 0.00 H new ATOM 932 N ARG A 63 -0.147 7.563 -4.366 1.00 0.00 N ATOM 933 CA ARG A 63 0.354 8.520 -3.387 1.00 0.00 C ATOM 934 C ARG A 63 1.414 9.426 -4.006 1.00 0.00 C ATOM 935 O ARG A 63 1.266 10.648 -4.027 1.00 0.00 O ATOM 936 CB ARG A 63 0.937 7.787 -2.178 1.00 0.00 C ATOM 937 CG ARG A 63 1.234 8.699 -0.999 1.00 0.00 C ATOM 938 CD ARG A 63 1.184 7.940 0.319 1.00 0.00 C ATOM 939 NE ARG A 63 -0.166 7.894 0.873 1.00 0.00 N ATOM 940 CZ ARG A 63 -0.758 8.931 1.455 1.00 0.00 C ATOM 941 NH1 ARG A 63 -0.121 10.090 1.557 1.00 0.00 N ATOM 942 NH2 ARG A 63 -1.989 8.811 1.935 1.00 0.00 N ATOM 0 H ARG A 63 -0.097 6.589 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.482 9.138 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.238 7.013 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.856 7.283 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.219 9.148 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.512 9.515 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.548 6.924 0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.854 8.414 1.036 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.683 7.017 0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.825 10.186 1.188 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.577 10.885 2.004 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.482 7.922 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.442 9.608 2.382 1.00 0.00 H new ATOM 956 N ARG A 64 2.484 8.818 -4.508 1.00 0.00 N ATOM 957 CA ARG A 64 3.570 9.570 -5.126 1.00 0.00 C ATOM 958 C ARG A 64 3.024 10.682 -6.016 1.00 0.00 C ATOM 959 O ARG A 64 3.516 11.811 -5.988 1.00 0.00 O ATOM 960 CB ARG A 64 4.462 8.637 -5.947 1.00 0.00 C ATOM 961 CG ARG A 64 5.100 7.527 -5.128 1.00 0.00 C ATOM 962 CD ARG A 64 6.220 6.841 -5.895 1.00 0.00 C ATOM 963 NE ARG A 64 5.718 6.098 -7.048 1.00 0.00 N ATOM 964 CZ ARG A 64 6.504 5.546 -7.966 1.00 0.00 C ATOM 965 NH1 ARG A 64 7.821 5.653 -7.866 1.00 0.00 N ATOM 966 NH2 ARG A 64 5.972 4.885 -8.986 1.00 0.00 N ATOM 0 H ARG A 64 2.622 7.807 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 64 4.163 10.023 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.869 8.192 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.248 9.224 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.493 7.939 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.342 6.793 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.940 7.588 -6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.752 6.161 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 64 4.709 5.997 -7.154 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.233 6.160 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.422 5.228 -8.572 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.959 4.800 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.576 4.462 -9.690 1.00 0.00 H new ATOM 980 N ARG A 65 2.005 10.356 -6.804 1.00 0.00 N ATOM 981 CA ARG A 65 1.394 11.327 -7.703 1.00 0.00 C ATOM 982 C ARG A 65 0.777 12.481 -6.919 1.00 0.00 C ATOM 983 O ARG A 65 1.137 13.642 -7.114 1.00 0.00 O ATOM 984 CB ARG A 65 0.324 10.653 -8.565 1.00 0.00 C ATOM 985 CG ARG A 65 -0.428 11.618 -9.467 1.00 0.00 C ATOM 986 CD ARG A 65 -1.015 10.907 -10.677 1.00 0.00 C ATOM 987 NE ARG A 65 -2.221 10.156 -10.339 1.00 0.00 N ATOM 988 CZ ARG A 65 -3.422 10.710 -10.220 1.00 0.00 C ATOM 989 NH1 ARG A 65 -3.577 12.013 -10.410 1.00 0.00 N ATOM 990 NH2 ARG A 65 -4.472 9.960 -9.910 1.00 0.00 N ATOM 0 H ARG A 65 1.585 9.427 -6.838 1.00 0.00 H new ATOM 0 HA ARG A 65 2.175 11.726 -8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.795 9.886 -9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.389 10.147 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.227 12.098 -8.902 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.246 12.408 -9.799 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.249 11.639 -11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.271 10.229 -11.095 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.136 9.151 -10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.772 12.593 -10.648 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.501 12.435 -10.318 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.357 8.957 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.394 10.386 -9.819 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.156 12.154 -6.031 1.00 0.00 N ATOM 1005 CA LYS A 66 -0.824 13.162 -5.215 1.00 0.00 C ATOM 1006 C LYS A 66 0.154 14.252 -4.788 1.00 0.00 C ATOM 1007 O LYS A 66 -0.160 15.441 -4.851 1.00 0.00 O ATOM 1008 CB LYS A 66 -1.452 12.513 -3.980 1.00 0.00 C ATOM 1009 CG LYS A 66 -2.847 11.965 -4.224 1.00 0.00 C ATOM 1010 CD LYS A 66 -3.327 11.121 -3.054 1.00 0.00 C ATOM 1011 CE LYS A 66 -4.843 11.148 -2.934 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.343 10.107 -1.992 1.00 0.00 N ATOM 0 H LYS A 66 -0.467 11.198 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.609 13.619 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.807 11.703 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.495 13.248 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.540 12.791 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.849 11.363 -5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.989 10.093 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.881 11.490 -2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.163 12.132 -2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.288 10.993 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.380 10.158 -1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.060 9.166 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.938 10.270 -1.048 1.00 0.00 H new ATOM 1026 N TYR A 67 1.341 13.839 -4.356 1.00 0.00 N ATOM 1027 CA TYR A 67 2.364 14.781 -3.918 1.00 0.00 C ATOM 1028 C TYR A 67 2.866 15.623 -5.088 1.00 0.00 C ATOM 1029 O TYR A 67 2.802 16.852 -5.055 1.00 0.00 O ATOM 1030 CB TYR A 67 3.533 14.033 -3.275 1.00 0.00 C ATOM 1031 CG TYR A 67 3.294 13.665 -1.828 1.00 0.00 C ATOM 1032 CD1 TYR A 67 2.280 12.784 -1.473 1.00 0.00 C ATOM 1033 CD2 TYR A 67 4.083 14.198 -0.816 1.00 0.00 C ATOM 1034 CE1 TYR A 67 2.057 12.446 -0.153 1.00 0.00 C ATOM 1035 CE2 TYR A 67 3.868 13.864 0.507 1.00 0.00 C ATOM 1036 CZ TYR A 67 2.854 12.988 0.834 1.00 0.00 C ATOM 1037 OH TYR A 67 2.637 12.652 2.150 1.00 0.00 O ATOM 0 H TYR A 67 1.618 12.859 -4.300 1.00 0.00 H new ATOM 0 HA TYR A 67 1.917 15.447 -3.180 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.729 13.125 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.429 14.650 -3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.655 12.356 -2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.878 14.885 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.263 11.761 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.491 14.287 1.282 1.00 0.00 H new ATOM 0 HH TYR A 67 3.285 13.119 2.718 1.00 0.00 H new ATOM 1047 N ARG A 68 3.365 14.952 -6.120 1.00 0.00 N ATOM 1048 CA ARG A 68 3.879 15.636 -7.301 1.00 0.00 C ATOM 1049 C ARG A 68 2.892 16.692 -7.789 1.00 0.00 C ATOM 1050 O ARG A 68 3.288 17.780 -8.211 1.00 0.00 O ATOM 1051 CB ARG A 68 4.160 14.630 -8.418 1.00 0.00 C ATOM 1052 CG ARG A 68 4.989 15.201 -9.557 1.00 0.00 C ATOM 1053 CD ARG A 68 6.466 15.252 -9.199 1.00 0.00 C ATOM 1054 NE ARG A 68 6.775 16.363 -8.303 1.00 0.00 N ATOM 1055 CZ ARG A 68 6.689 17.640 -8.658 1.00 0.00 C ATOM 1056 NH1 ARG A 68 6.306 17.965 -9.885 1.00 0.00 N ATOM 1057 NH2 ARG A 68 6.986 18.594 -7.786 1.00 0.00 N ATOM 0 H ARG A 68 3.425 13.935 -6.163 1.00 0.00 H new ATOM 0 HA ARG A 68 4.810 16.132 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.680 13.769 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.212 14.267 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.851 14.592 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.637 16.204 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.757 14.314 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.057 15.346 -10.110 1.00 0.00 H new ATOM 0 HE ARG A 68 7.073 16.146 -7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.077 17.234 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.241 18.946 -10.156 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.281 18.348 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.919 19.574 -8.060 1.00 0.00 H new ATOM 1071 N LEU A 69 1.606 16.365 -7.729 1.00 0.00 N ATOM 1072 CA LEU A 69 0.561 17.286 -8.165 1.00 0.00 C ATOM 1073 C LEU A 69 0.668 18.619 -7.432 1.00 0.00 C ATOM 1074 O LEU A 69 0.555 19.683 -8.039 1.00 0.00 O ATOM 1075 CB LEU A 69 -0.819 16.670 -7.929 1.00 0.00 C ATOM 1076 CG LEU A 69 -1.357 15.778 -9.048 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -1.667 16.604 -10.287 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -0.361 14.675 -9.376 1.00 0.00 C ATOM 0 H LEU A 69 1.261 15.470 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 69 0.694 17.468 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.781 16.083 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.531 17.478 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.282 15.315 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.049 15.952 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.417 17.357 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.758 17.096 -10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.760 14.050 -10.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.580 15.119 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.189 14.065 -8.489 1.00 0.00 H new ATOM 1090 N MET A 70 0.889 18.552 -6.123 1.00 0.00 N ATOM 1091 CA MET A 70 1.016 19.755 -5.308 1.00 0.00 C ATOM 1092 C MET A 70 2.352 20.444 -5.560 1.00 0.00 C ATOM 1093 O MET A 70 2.483 21.653 -5.372 1.00 0.00 O ATOM 1094 CB MET A 70 0.879 19.407 -3.824 1.00 0.00 C ATOM 1095 CG MET A 70 0.838 20.625 -2.916 1.00 0.00 C ATOM 1096 SD MET A 70 0.165 20.253 -1.285 1.00 0.00 S ATOM 1097 CE MET A 70 1.671 19.992 -0.350 1.00 0.00 C ATOM 0 H MET A 70 0.984 17.679 -5.605 1.00 0.00 H new ATOM 0 HA MET A 70 0.216 20.441 -5.589 1.00 0.00 H new ATOM 0 HB2 MET A 70 -0.031 18.824 -3.678 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.715 18.772 -3.529 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.846 21.026 -2.806 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.235 21.403 -3.385 1.00 0.00 H new ATOM 0 HE1 MET A 70 1.677 18.980 0.055 1.00 0.00 H new ATOM 0 HE2 MET A 70 2.533 20.126 -1.004 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.721 20.711 0.468 1.00 0.00 H new ATOM 1107 N GLY A 71 3.344 19.667 -5.986 1.00 0.00 N ATOM 1108 CA GLY A 71 4.657 20.221 -6.256 1.00 0.00 C ATOM 1109 C GLY A 71 5.696 19.770 -5.248 1.00 0.00 C ATOM 1110 O GLY A 71 6.601 20.528 -4.898 1.00 0.00 O ATOM 0 H GLY A 71 3.261 18.664 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.974 19.926 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.597 21.309 -6.249 1.00 0.00 H new ATOM 1114 N ILE A 72 5.564 18.534 -4.779 1.00 0.00 N ATOM 1115 CA ILE A 72 6.498 17.983 -3.805 1.00 0.00 C ATOM 1116 C ILE A 72 7.387 16.918 -4.437 1.00 0.00 C ATOM 1117 O ILE A 72 7.011 16.288 -5.424 1.00 0.00 O ATOM 1118 CB ILE A 72 5.760 17.372 -2.600 1.00 0.00 C ATOM 1119 CG1 ILE A 72 4.778 18.385 -2.008 1.00 0.00 C ATOM 1120 CG2 ILE A 72 6.756 16.913 -1.545 1.00 0.00 C ATOM 1121 CD1 ILE A 72 3.706 17.755 -1.146 1.00 0.00 C ATOM 0 H ILE A 72 4.819 17.895 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 72 7.117 18.810 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 72 5.196 16.504 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.332 19.110 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.303 18.936 -2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.218 16.483 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.419 16.161 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.345 17.765 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.046 18.532 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.127 17.050 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.172 17.228 -0.313 1.00 0.00 H new ATOM 1133 N GLU A 73 8.568 16.720 -3.858 1.00 0.00 N ATOM 1134 CA GLU A 73 9.510 15.729 -4.365 1.00 0.00 C ATOM 1135 C GLU A 73 9.799 14.665 -3.310 1.00 0.00 C ATOM 1136 O GLU A 73 9.934 14.970 -2.125 1.00 0.00 O ATOM 1137 CB GLU A 73 10.813 16.405 -4.795 1.00 0.00 C ATOM 1138 CG GLU A 73 11.464 17.227 -3.695 1.00 0.00 C ATOM 1139 CD GLU A 73 12.611 18.078 -4.204 1.00 0.00 C ATOM 1140 OE1 GLU A 73 12.345 19.074 -4.908 1.00 0.00 O ATOM 1141 OE2 GLU A 73 13.776 17.747 -3.898 1.00 0.00 O ATOM 0 H GLU A 73 8.894 17.232 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 73 9.059 15.244 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.515 15.642 -5.130 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.612 17.051 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.714 17.871 -3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.830 16.559 -2.916 1.00 0.00 H new ATOM 1148 N VAL A 74 9.893 13.414 -3.750 1.00 0.00 N ATOM 1149 CA VAL A 74 10.167 12.304 -2.846 1.00 0.00 C ATOM 1150 C VAL A 74 11.508 11.652 -3.165 1.00 0.00 C ATOM 1151 O VAL A 74 11.973 11.692 -4.305 1.00 0.00 O ATOM 1152 CB VAL A 74 9.060 11.235 -2.917 1.00 0.00 C ATOM 1153 CG1 VAL A 74 7.715 11.834 -2.537 1.00 0.00 C ATOM 1154 CG2 VAL A 74 9.005 10.618 -4.306 1.00 0.00 C ATOM 0 H VAL A 74 9.783 13.144 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 74 10.198 12.718 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 74 9.294 10.446 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.945 11.064 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.765 12.224 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.470 12.643 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.218 9.865 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.795 11.395 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.963 10.151 -4.535 1.00 0.00 H new ATOM 1164 N SER A 75 12.125 11.053 -2.152 1.00 0.00 N ATOM 1165 CA SER A 75 13.415 10.395 -2.324 1.00 0.00 C ATOM 1166 C SER A 75 13.491 9.693 -3.677 1.00 0.00 C ATOM 1167 O SER A 75 12.839 8.673 -3.897 1.00 0.00 O ATOM 1168 CB SER A 75 13.651 9.386 -1.199 1.00 0.00 C ATOM 1169 OG SER A 75 12.792 8.267 -1.330 1.00 0.00 O ATOM 0 H SER A 75 11.753 11.010 -1.203 1.00 0.00 H new ATOM 0 HA SER A 75 14.192 11.158 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.689 9.055 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.484 9.866 -0.235 1.00 0.00 H new ATOM 0 HG SER A 75 12.383 8.271 -2.220 1.00 0.00 H new ATOM 1175 N GLY A 76 14.293 10.248 -4.581 1.00 0.00 N ATOM 1176 CA GLY A 76 14.440 9.663 -5.900 1.00 0.00 C ATOM 1177 C GLY A 76 15.830 9.106 -6.136 1.00 0.00 C ATOM 1178 O GLY A 76 16.826 9.635 -5.642 1.00 0.00 O ATOM 0 H GLY A 76 14.843 11.092 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.707 8.866 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.221 10.418 -6.655 1.00 0.00 H new ATOM 1182 N PRO A 77 15.910 8.011 -6.907 1.00 0.00 N ATOM 1183 CA PRO A 77 17.184 7.358 -7.224 1.00 0.00 C ATOM 1184 C PRO A 77 18.050 8.198 -8.157 1.00 0.00 C ATOM 1185 O PRO A 77 17.606 9.220 -8.678 1.00 0.00 O ATOM 1186 CB PRO A 77 16.755 6.061 -7.916 1.00 0.00 C ATOM 1187 CG PRO A 77 15.411 6.362 -8.484 1.00 0.00 C ATOM 1188 CD PRO A 77 14.764 7.327 -7.530 1.00 0.00 C ATOM 0 HA PRO A 77 17.794 7.201 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 77 17.460 5.777 -8.697 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.710 5.232 -7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 77 15.497 6.797 -9.480 1.00 0.00 H new ATOM 0 HG3 PRO A 77 14.817 5.454 -8.583 1.00 0.00 H new ATOM 0 HD2 PRO A 77 14.111 8.029 -8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.153 6.811 -6.789 1.00 0.00 H new ATOM 1196 N SER A 78 19.288 7.759 -8.362 1.00 0.00 N ATOM 1197 CA SER A 78 20.217 8.472 -9.230 1.00 0.00 C ATOM 1198 C SER A 78 20.261 7.839 -10.617 1.00 0.00 C ATOM 1199 O SER A 78 20.820 6.757 -10.800 1.00 0.00 O ATOM 1200 CB SER A 78 21.618 8.479 -8.615 1.00 0.00 C ATOM 1201 OG SER A 78 22.077 7.160 -8.377 1.00 0.00 O ATOM 0 H SER A 78 19.670 6.913 -7.939 1.00 0.00 H new ATOM 0 HA SER A 78 19.866 9.499 -9.331 1.00 0.00 H new ATOM 0 HB2 SER A 78 22.309 8.993 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 78 21.605 9.037 -7.679 1.00 0.00 H new ATOM 0 HG SER A 78 21.803 6.580 -9.118 1.00 0.00 H new ATOM 1207 N SER A 79 19.668 8.521 -11.591 1.00 0.00 N ATOM 1208 CA SER A 79 19.635 8.024 -12.962 1.00 0.00 C ATOM 1209 C SER A 79 20.937 8.349 -13.689 1.00 0.00 C ATOM 1210 O SER A 79 21.044 9.369 -14.368 1.00 0.00 O ATOM 1211 CB SER A 79 18.451 8.630 -13.718 1.00 0.00 C ATOM 1212 OG SER A 79 18.579 10.038 -13.822 1.00 0.00 O ATOM 0 H SER A 79 19.204 9.419 -11.457 1.00 0.00 H new ATOM 0 HA SER A 79 19.519 6.941 -12.927 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.390 8.193 -14.715 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.522 8.383 -13.204 1.00 0.00 H new ATOM 0 HG SER A 79 19.521 10.272 -13.955 1.00 0.00 H new ATOM 1218 N GLY A 80 21.925 7.472 -13.539 1.00 0.00 N ATOM 1219 CA GLY A 80 23.207 7.682 -14.186 1.00 0.00 C ATOM 1220 C GLY A 80 24.218 8.341 -13.269 1.00 0.00 C ATOM 1221 O GLY A 80 23.902 8.686 -12.130 1.00 0.00 O ATOM 0 H GLY A 80 21.861 6.620 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 80 23.600 6.724 -14.526 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.066 8.302 -15.072 1.00 0.00 H new TER 1225 GLY A 80