USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 GLN :FLIP amide:sc= -0.012 X(o=-0.28,f=-0.012) USER MOD Set 1.2: A 34 ASN :FLIP amide:sc= 0 X(o=-0.44,f=-0.012) USER MOD Single : A 6 GLN :FLIP amide:sc= -3.56! C(o=-5.6!,f=-3.6!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 23 SER OG : rot -30:sc= 0.264 USER MOD Single : A 24 GLN : amide:sc= -0.0484 X(o=-0.048,f=-0.21) USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.113 USER MOD Single : A 27 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.033) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0664 X(o=-0.066,f=-0.31) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.936 (180deg=-1.45) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -21.010 -3.589 4.068 1.00 0.00 N ATOM 37 CA LEU A 4 -20.122 -3.926 2.968 1.00 0.00 C ATOM 38 C LEU A 4 -20.599 -3.218 1.698 1.00 0.00 C ATOM 39 O LEU A 4 -19.786 -2.755 0.899 1.00 0.00 O ATOM 40 CB LEU A 4 -20.007 -5.444 2.820 1.00 0.00 C ATOM 41 CG LEU A 4 -18.707 -6.072 3.325 1.00 0.00 C ATOM 42 CD1 LEU A 4 -17.527 -5.681 2.434 1.00 0.00 C ATOM 43 CD2 LEU A 4 -18.459 -5.713 4.792 1.00 0.00 C ATOM 0 HA LEU A 4 -19.112 -3.571 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.840 -5.905 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.123 -5.696 1.766 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.808 -7.156 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -16.615 -6.141 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -17.709 -6.026 1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -17.414 -4.597 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -17.529 -6.172 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.387 -4.630 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.285 -6.081 5.401 1.00 0.00 H new ATOM 54 N ILE A 5 -21.915 -3.158 1.551 1.00 0.00 N ATOM 55 CA ILE A 5 -22.508 -2.515 0.391 1.00 0.00 C ATOM 56 C ILE A 5 -22.116 -1.036 0.377 1.00 0.00 C ATOM 57 O ILE A 5 -21.875 -0.465 -0.686 1.00 0.00 O ATOM 58 CB ILE A 5 -24.019 -2.749 0.364 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.351 -4.223 0.612 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.631 -2.236 -0.942 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.499 -5.133 -0.277 1.00 0.00 C ATOM 0 H ILE A 5 -22.586 -3.544 2.215 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.123 -2.957 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.467 -2.177 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.178 -4.467 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.408 -4.400 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.706 -2.415 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.442 -1.167 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.182 -2.761 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.754 -6.175 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.692 -4.902 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.444 -4.971 -0.058 1.00 0.00 H new ATOM 72 N GLN A 6 -22.063 -0.459 1.568 1.00 0.00 N ATOM 73 CA GLN A 6 -21.704 0.943 1.705 1.00 0.00 C ATOM 74 C GLN A 6 -20.314 1.194 1.119 1.00 0.00 C ATOM 75 O GLN A 6 -20.143 2.064 0.266 1.00 0.00 O ATOM 76 CB GLN A 6 -21.770 1.385 3.169 1.00 0.00 C ATOM 77 CG GLN A 6 -23.047 2.182 3.443 1.00 0.00 C ATOM 78 CD GLN A 6 -22.782 3.314 4.439 1.00 0.00 C ATOM 79 OE1 GLN A 6 -22.121 4.345 3.923 1.00 0.00 O flip ATOM 80 NE2 GLN A 6 -23.153 3.253 5.600 1.00 0.00 N flip ATOM 0 H GLN A 6 -22.263 -0.936 2.447 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.426 1.539 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.736 0.510 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.898 1.994 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.429 2.596 2.510 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.817 1.519 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -23.657 2.431 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -22.959 4.024 6.239 1.00 0.00 H new ATOM 87 N VAL A 7 -19.354 0.416 1.599 1.00 0.00 N ATOM 88 CA VAL A 7 -17.984 0.544 1.133 1.00 0.00 C ATOM 89 C VAL A 7 -17.911 0.140 -0.340 1.00 0.00 C ATOM 90 O VAL A 7 -17.160 0.732 -1.114 1.00 0.00 O ATOM 91 CB VAL A 7 -17.049 -0.276 2.025 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.500 -1.737 2.095 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.601 -0.171 1.545 1.00 0.00 C ATOM 0 H VAL A 7 -19.498 -0.305 2.306 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.652 1.580 1.203 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.098 0.138 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.819 -2.298 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.508 -1.787 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.495 -2.168 1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.958 -0.763 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.528 -0.546 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.284 0.871 1.572 1.00 0.00 H new ATOM 103 N ARG A 8 -18.701 -0.868 -0.684 1.00 0.00 N ATOM 104 CA ARG A 8 -18.735 -1.358 -2.051 1.00 0.00 C ATOM 105 C ARG A 8 -19.353 -0.309 -2.977 1.00 0.00 C ATOM 106 O ARG A 8 -18.933 -0.162 -4.123 1.00 0.00 O ATOM 107 CB ARG A 8 -19.543 -2.654 -2.151 1.00 0.00 C ATOM 108 CG ARG A 8 -18.715 -3.854 -1.684 1.00 0.00 C ATOM 109 CD ARG A 8 -18.997 -5.085 -2.547 1.00 0.00 C ATOM 110 NE ARG A 8 -20.005 -5.945 -1.889 1.00 0.00 N ATOM 111 CZ ARG A 8 -20.803 -6.813 -2.546 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.718 -6.943 -3.887 1.00 0.00 N ATOM 113 NH2 ARG A 8 -21.670 -7.533 -1.857 1.00 0.00 N ATOM 0 H ARG A 8 -19.322 -1.358 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.708 -1.557 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.445 -2.572 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.864 -2.808 -3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.654 -3.608 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.945 -4.076 -0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.356 -4.776 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.076 -5.646 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 8 -20.103 -5.878 -0.876 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.047 -6.383 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.325 -7.602 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -21.729 -7.428 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -22.281 -8.194 -2.338 1.00 0.00 H new ATOM 123 N ASP A 9 -20.342 0.395 -2.444 1.00 0.00 N ATOM 124 CA ASP A 9 -21.021 1.428 -3.208 1.00 0.00 C ATOM 125 C ASP A 9 -20.120 2.660 -3.307 1.00 0.00 C ATOM 126 O ASP A 9 -19.943 3.219 -4.388 1.00 0.00 O ATOM 127 CB ASP A 9 -22.325 1.849 -2.527 1.00 0.00 C ATOM 128 CG ASP A 9 -23.307 2.608 -3.422 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.322 2.428 -4.648 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.091 3.423 -2.802 1.00 0.00 O ATOM 0 H ASP A 9 -20.689 0.270 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.244 1.025 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -22.821 0.957 -2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.083 2.474 -1.667 1.00 0.00 H new ATOM 135 N LEU A 10 -19.574 3.048 -2.163 1.00 0.00 N ATOM 136 CA LEU A 10 -18.696 4.204 -2.108 1.00 0.00 C ATOM 137 C LEU A 10 -17.524 3.995 -3.069 1.00 0.00 C ATOM 138 O LEU A 10 -17.191 4.884 -3.851 1.00 0.00 O ATOM 139 CB LEU A 10 -18.267 4.482 -0.666 1.00 0.00 C ATOM 140 CG LEU A 10 -18.998 5.625 0.042 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.563 6.982 -0.514 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.514 5.434 -0.031 1.00 0.00 C ATOM 0 H LEU A 10 -19.723 2.582 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.223 5.099 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.408 3.571 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.199 4.702 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.722 5.606 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.098 7.777 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.491 7.109 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -18.791 7.029 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.010 6.260 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -20.828 5.412 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.786 4.494 0.450 1.00 0.00 H new ATOM 153 N LEU A 11 -16.929 2.815 -2.977 1.00 0.00 N ATOM 154 CA LEU A 11 -15.801 2.477 -3.829 1.00 0.00 C ATOM 155 C LEU A 11 -16.182 2.714 -5.291 1.00 0.00 C ATOM 156 O LEU A 11 -15.337 3.085 -6.105 1.00 0.00 O ATOM 157 CB LEU A 11 -15.319 1.053 -3.542 1.00 0.00 C ATOM 158 CG LEU A 11 -14.192 0.921 -2.516 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.739 -0.535 -2.384 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.028 1.855 -2.856 1.00 0.00 C ATOM 0 H LEU A 11 -17.207 2.081 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 11 -14.952 3.126 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.169 0.466 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.984 0.608 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.577 1.228 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.937 -0.601 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.579 -1.150 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.377 -0.892 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.241 1.741 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.635 1.603 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.379 2.887 -2.859 1.00 0.00 H new ATOM 171 N ALA A 12 -17.455 2.488 -5.581 1.00 0.00 N ATOM 172 CA ALA A 12 -17.958 2.672 -6.932 1.00 0.00 C ATOM 173 C ALA A 12 -18.314 4.146 -7.143 1.00 0.00 C ATOM 174 O ALA A 12 -17.785 4.793 -8.045 1.00 0.00 O ATOM 175 CB ALA A 12 -19.153 1.745 -7.162 1.00 0.00 C ATOM 0 H ALA A 12 -18.153 2.179 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.195 2.409 -7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.531 1.883 -8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.841 0.709 -7.029 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.940 1.982 -6.446 1.00 0.00 H new ATOM 181 N LEU A 13 -19.208 4.632 -6.295 1.00 0.00 N ATOM 182 CA LEU A 13 -19.641 6.018 -6.378 1.00 0.00 C ATOM 183 C LEU A 13 -18.414 6.930 -6.405 1.00 0.00 C ATOM 184 O LEU A 13 -18.210 7.675 -7.362 1.00 0.00 O ATOM 185 CB LEU A 13 -20.622 6.340 -5.248 1.00 0.00 C ATOM 186 CG LEU A 13 -21.908 5.512 -5.220 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.889 6.057 -4.181 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.537 5.428 -6.613 1.00 0.00 C ATOM 0 H LEU A 13 -19.644 4.092 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.188 6.192 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.106 6.206 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.893 7.393 -5.318 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.653 4.496 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.794 5.450 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.430 6.022 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.143 7.088 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.450 4.834 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.775 6.431 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.834 4.959 -7.302 1.00 0.00 H new ATOM 199 N ARG A 14 -17.626 6.841 -5.342 1.00 0.00 N ATOM 200 CA ARG A 14 -16.424 7.649 -5.232 1.00 0.00 C ATOM 201 C ARG A 14 -15.304 7.054 -6.089 1.00 0.00 C ATOM 202 O ARG A 14 -14.254 7.671 -6.260 1.00 0.00 O ATOM 203 CB ARG A 14 -15.951 7.739 -3.781 1.00 0.00 C ATOM 204 CG ARG A 14 -16.818 8.714 -2.982 1.00 0.00 C ATOM 205 CD ARG A 14 -18.287 8.613 -3.401 1.00 0.00 C ATOM 206 NE ARG A 14 -19.120 9.480 -2.539 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.309 10.001 -2.914 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.812 9.746 -4.139 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.970 10.763 -2.063 1.00 0.00 N ATOM 0 H ARG A 14 -17.797 6.221 -4.550 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.666 8.651 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.989 6.752 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.911 8.064 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.724 8.501 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.462 9.733 -3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.397 8.910 -4.444 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.625 7.579 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.776 9.698 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.294 9.156 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.710 10.143 -4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.582 10.951 -1.139 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.869 11.164 -2.330 1.00 0.00 H new ATOM 219 N GLY A 15 -15.568 5.864 -6.607 1.00 0.00 N ATOM 220 CA GLY A 15 -14.594 5.178 -7.442 1.00 0.00 C ATOM 221 C GLY A 15 -13.384 4.734 -6.620 1.00 0.00 C ATOM 222 O GLY A 15 -13.479 4.570 -5.405 1.00 0.00 O ATOM 0 H GLY A 15 -16.441 5.357 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.058 4.310 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.269 5.839 -8.246 1.00 0.00 H new ATOM 226 N ARG A 16 -12.272 4.549 -7.317 1.00 0.00 N ATOM 227 CA ARG A 16 -11.043 4.126 -6.667 1.00 0.00 C ATOM 228 C ARG A 16 -10.579 5.186 -5.667 1.00 0.00 C ATOM 229 O ARG A 16 -10.289 6.320 -6.049 1.00 0.00 O ATOM 230 CB ARG A 16 -9.934 3.880 -7.692 1.00 0.00 C ATOM 231 CG ARG A 16 -9.778 5.081 -8.629 1.00 0.00 C ATOM 232 CD ARG A 16 -8.301 5.405 -8.863 1.00 0.00 C ATOM 233 NE ARG A 16 -8.073 5.722 -10.291 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.853 5.882 -10.845 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.738 5.756 -10.093 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.766 6.164 -12.131 1.00 0.00 N ATOM 0 H ARG A 16 -12.197 4.684 -8.325 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.250 3.193 -6.142 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.992 3.692 -7.176 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.163 2.987 -8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.263 4.869 -9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.281 5.948 -8.201 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.003 6.250 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.683 4.558 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.889 5.826 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.815 5.538 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.819 5.878 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.613 6.258 -12.691 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.851 6.288 -12.565 1.00 0.00 H new ATOM 246 N MET A 17 -10.521 4.781 -4.407 1.00 0.00 N ATOM 247 CA MET A 17 -10.097 5.683 -3.350 1.00 0.00 C ATOM 248 C MET A 17 -9.538 4.905 -2.157 1.00 0.00 C ATOM 249 O MET A 17 -9.573 3.675 -2.141 1.00 0.00 O ATOM 250 CB MET A 17 -11.285 6.532 -2.895 1.00 0.00 C ATOM 251 CG MET A 17 -11.728 7.492 -4.000 1.00 0.00 C ATOM 252 SD MET A 17 -10.389 8.594 -4.425 1.00 0.00 S ATOM 253 CE MET A 17 -11.203 9.619 -5.639 1.00 0.00 C ATOM 0 H MET A 17 -10.761 3.840 -4.094 1.00 0.00 H new ATOM 0 HA MET A 17 -9.309 6.326 -3.742 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.116 5.883 -2.618 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.012 7.098 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.039 6.928 -4.880 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.592 8.068 -3.668 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.503 10.368 -6.011 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.546 8.999 -6.467 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.057 10.117 -5.181 1.00 0.00 H new ATOM 261 N GLU A 18 -9.036 5.653 -1.185 1.00 0.00 N ATOM 262 CA GLU A 18 -8.472 5.048 0.009 1.00 0.00 C ATOM 263 C GLU A 18 -9.568 4.798 1.047 1.00 0.00 C ATOM 264 O GLU A 18 -10.656 5.364 0.953 1.00 0.00 O ATOM 265 CB GLU A 18 -7.356 5.919 0.590 1.00 0.00 C ATOM 266 CG GLU A 18 -6.259 5.057 1.218 1.00 0.00 C ATOM 267 CD GLU A 18 -6.247 5.209 2.741 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.932 4.451 3.445 1.00 0.00 O ATOM 269 OE2 GLU A 18 -5.493 6.154 3.189 1.00 0.00 O ATOM 0 H GLU A 18 -9.008 6.673 -1.200 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.034 4.089 -0.266 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.929 6.542 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.769 6.593 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.418 4.011 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.289 5.344 0.813 1.00 0.00 H new ATOM 275 N ALA A 19 -9.243 3.951 2.012 1.00 0.00 N ATOM 276 CA ALA A 19 -10.187 3.620 3.067 1.00 0.00 C ATOM 277 C ALA A 19 -10.417 4.852 3.945 1.00 0.00 C ATOM 278 O ALA A 19 -11.534 5.096 4.397 1.00 0.00 O ATOM 279 CB ALA A 19 -9.662 2.424 3.865 1.00 0.00 C ATOM 0 H ALA A 19 -8.339 3.484 2.086 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.150 3.333 2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.370 2.176 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.544 1.567 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.698 2.676 4.307 1.00 0.00 H new ATOM 285 N ALA A 20 -9.340 5.595 4.160 1.00 0.00 N ATOM 286 CA ALA A 20 -9.412 6.795 4.976 1.00 0.00 C ATOM 287 C ALA A 20 -10.639 7.612 4.569 1.00 0.00 C ATOM 288 O ALA A 20 -11.307 8.200 5.418 1.00 0.00 O ATOM 289 CB ALA A 20 -8.111 7.587 4.833 1.00 0.00 C ATOM 0 H ALA A 20 -8.415 5.389 3.784 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.524 6.537 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.164 8.488 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.273 6.973 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.968 7.866 3.789 1.00 0.00 H new ATOM 295 N GLN A 21 -10.899 7.622 3.269 1.00 0.00 N ATOM 296 CA GLN A 21 -12.035 8.358 2.739 1.00 0.00 C ATOM 297 C GLN A 21 -13.338 7.620 3.054 1.00 0.00 C ATOM 298 O GLN A 21 -14.307 8.230 3.504 1.00 0.00 O ATOM 299 CB GLN A 21 -11.884 8.588 1.235 1.00 0.00 C ATOM 300 CG GLN A 21 -11.321 9.980 0.947 1.00 0.00 C ATOM 301 CD GLN A 21 -12.418 10.924 0.450 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.311 11.548 -0.593 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.477 10.993 1.252 1.00 0.00 N ATOM 0 H GLN A 21 -10.343 7.133 2.568 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.069 9.335 3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.224 7.830 0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.852 8.475 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.868 10.387 1.851 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.531 9.909 0.199 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.503 10.444 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.263 11.595 1.008 1.00 0.00 H new ATOM 310 N ILE A 22 -13.320 6.319 2.804 1.00 0.00 N ATOM 311 CA ILE A 22 -14.488 5.492 3.055 1.00 0.00 C ATOM 312 C ILE A 22 -14.855 5.572 4.538 1.00 0.00 C ATOM 313 O ILE A 22 -15.985 5.910 4.884 1.00 0.00 O ATOM 314 CB ILE A 22 -14.251 4.066 2.556 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.865 4.059 1.075 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.467 3.178 2.836 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.913 2.904 0.763 1.00 0.00 C ATOM 0 H ILE A 22 -12.515 5.817 2.430 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.346 5.863 2.494 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.411 3.646 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.762 3.971 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.392 5.006 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.273 2.169 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.655 3.146 3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.340 3.586 2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.654 2.922 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.007 3.008 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.398 1.958 1.002 1.00 0.00 H new ATOM 328 N SER A 23 -13.878 5.254 5.375 1.00 0.00 N ATOM 329 CA SER A 23 -14.084 5.286 6.812 1.00 0.00 C ATOM 330 C SER A 23 -14.709 6.621 7.223 1.00 0.00 C ATOM 331 O SER A 23 -15.533 6.670 8.135 1.00 0.00 O ATOM 332 CB SER A 23 -12.768 5.064 7.563 1.00 0.00 C ATOM 333 OG SER A 23 -11.865 6.152 7.390 1.00 0.00 O ATOM 0 H SER A 23 -12.941 4.973 5.085 1.00 0.00 H new ATOM 0 HA SER A 23 -14.764 4.477 7.077 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.975 4.930 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.300 4.145 7.211 1.00 0.00 H new ATOM 0 HG SER A 23 -12.012 6.562 6.512 1.00 0.00 H new ATOM 338 N GLN A 24 -14.293 7.671 6.529 1.00 0.00 N ATOM 339 CA GLN A 24 -14.802 9.003 6.809 1.00 0.00 C ATOM 340 C GLN A 24 -16.289 9.087 6.459 1.00 0.00 C ATOM 341 O GLN A 24 -17.094 9.558 7.261 1.00 0.00 O ATOM 342 CB GLN A 24 -14.001 10.066 6.057 1.00 0.00 C ATOM 343 CG GLN A 24 -13.071 10.826 7.005 1.00 0.00 C ATOM 344 CD GLN A 24 -13.356 12.328 6.966 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.494 12.770 6.966 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.264 13.086 6.933 1.00 0.00 N ATOM 0 H GLN A 24 -13.609 7.626 5.773 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.688 9.197 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.415 9.594 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.683 10.765 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.199 10.454 8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.033 10.642 6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.341 12.651 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.349 14.102 6.906 1.00 0.00 H new ATOM 353 N THR A 25 -16.610 8.623 5.260 1.00 0.00 N ATOM 354 CA THR A 25 -17.985 8.640 4.794 1.00 0.00 C ATOM 355 C THR A 25 -18.863 7.763 5.690 1.00 0.00 C ATOM 356 O THR A 25 -19.918 8.199 6.150 1.00 0.00 O ATOM 357 CB THR A 25 -17.993 8.207 3.327 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.211 9.199 2.668 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.376 8.336 2.685 1.00 0.00 C ATOM 0 H THR A 25 -15.940 8.233 4.597 1.00 0.00 H new ATOM 0 HA THR A 25 -18.410 9.642 4.855 1.00 0.00 H new ATOM 0 HB THR A 25 -17.653 7.174 3.252 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.260 8.987 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.325 8.016 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.087 7.709 3.223 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.702 9.375 2.729 1.00 0.00 H new ATOM 367 N LEU A 26 -18.395 6.544 5.911 1.00 0.00 N ATOM 368 CA LEU A 26 -19.125 5.603 6.744 1.00 0.00 C ATOM 369 C LEU A 26 -19.129 6.104 8.190 1.00 0.00 C ATOM 370 O LEU A 26 -19.844 5.567 9.035 1.00 0.00 O ATOM 371 CB LEU A 26 -18.553 4.192 6.585 1.00 0.00 C ATOM 372 CG LEU A 26 -18.271 3.741 5.150 1.00 0.00 C ATOM 373 CD1 LEU A 26 -17.587 2.372 5.130 1.00 0.00 C ATOM 374 CD2 LEU A 26 -19.549 3.755 4.309 1.00 0.00 C ATOM 0 H LEU A 26 -17.520 6.186 5.528 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.165 5.540 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.625 4.131 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -19.250 3.486 7.037 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.581 4.453 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.398 2.075 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.642 2.429 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.233 1.635 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.320 3.430 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.282 3.079 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.957 4.766 4.283 1.00 0.00 H new ATOM 385 N ASN A 27 -18.323 7.128 8.429 1.00 0.00 N ATOM 386 CA ASN A 27 -18.225 7.708 9.758 1.00 0.00 C ATOM 387 C ASN A 27 -17.626 6.677 10.717 1.00 0.00 C ATOM 388 O ASN A 27 -17.990 6.631 11.891 1.00 0.00 O ATOM 389 CB ASN A 27 -19.604 8.102 10.290 1.00 0.00 C ATOM 390 CG ASN A 27 -19.608 9.551 10.786 1.00 0.00 C ATOM 391 OD1 ASN A 27 -18.743 9.979 11.534 1.00 0.00 O ATOM 392 ND2 ASN A 27 -20.624 10.276 10.331 1.00 0.00 N ATOM 0 H ASN A 27 -17.732 7.571 7.725 1.00 0.00 H new ATOM 0 HA ASN A 27 -17.596 8.596 9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -20.349 7.981 9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.888 7.435 11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -20.715 11.254 10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -21.313 9.854 9.708 1.00 0.00 H new ATOM 398 N THR A 28 -16.717 5.876 10.181 1.00 0.00 N ATOM 399 CA THR A 28 -16.063 4.849 10.975 1.00 0.00 C ATOM 400 C THR A 28 -14.573 5.161 11.128 1.00 0.00 C ATOM 401 O THR A 28 -14.030 5.989 10.398 1.00 0.00 O ATOM 402 CB THR A 28 -16.337 3.496 10.315 1.00 0.00 C ATOM 403 OG1 THR A 28 -16.745 2.660 11.394 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.062 2.832 9.789 1.00 0.00 C ATOM 0 H THR A 28 -16.418 5.917 9.207 1.00 0.00 H new ATOM 0 HA THR A 28 -16.462 4.819 11.989 1.00 0.00 H new ATOM 0 HB THR A 28 -17.042 3.628 9.494 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.944 1.762 11.055 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.313 1.875 9.331 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.595 3.479 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.370 2.668 10.615 1.00 0.00 H new ATOM 412 N PRO A 29 -13.937 4.462 12.106 1.00 0.00 N ATOM 413 CA PRO A 29 -12.520 4.655 12.364 1.00 0.00 C ATOM 414 C PRO A 29 -11.670 3.983 11.283 1.00 0.00 C ATOM 415 O PRO A 29 -11.935 2.846 10.897 1.00 0.00 O ATOM 416 CB PRO A 29 -12.289 4.074 13.748 1.00 0.00 C ATOM 417 CG PRO A 29 -13.476 3.164 14.022 1.00 0.00 C ATOM 418 CD PRO A 29 -14.548 3.473 12.990 1.00 0.00 C ATOM 0 HA PRO A 29 -12.226 5.704 12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.353 3.517 13.786 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.221 4.863 14.497 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.177 2.118 13.960 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.858 3.328 15.030 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.839 2.577 12.441 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.449 3.866 13.461 1.00 0.00 H new ATOM 423 N GLN A 30 -10.665 4.716 10.826 1.00 0.00 N ATOM 424 CA GLN A 30 -9.774 4.205 9.798 1.00 0.00 C ATOM 425 C GLN A 30 -9.485 2.721 10.036 1.00 0.00 C ATOM 426 O GLN A 30 -9.653 1.901 9.135 1.00 0.00 O ATOM 427 CB GLN A 30 -8.477 5.015 9.745 1.00 0.00 C ATOM 428 CG GLN A 30 -8.129 5.398 8.305 1.00 0.00 C ATOM 429 CD GLN A 30 -7.387 4.261 7.598 1.00 0.00 C ATOM 430 OE1 GLN A 30 -8.047 3.745 6.565 1.00 0.00 O flip ATOM 431 NE2 GLN A 30 -6.290 3.878 7.968 1.00 0.00 N flip ATOM 0 H GLN A 30 -10.448 5.659 11.149 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.268 4.308 8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.582 5.916 10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.663 4.434 10.177 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.041 5.637 7.758 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.512 6.296 8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.839 4.319 8.770 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.823 3.116 7.476 1.00 0.00 H new ATOM 438 N PRO A 31 -9.043 2.414 11.285 1.00 0.00 N ATOM 439 CA PRO A 31 -8.729 1.044 11.652 1.00 0.00 C ATOM 440 C PRO A 31 -10.005 0.228 11.865 1.00 0.00 C ATOM 441 O PRO A 31 -10.184 -0.389 12.914 1.00 0.00 O ATOM 442 CB PRO A 31 -7.880 1.159 12.908 1.00 0.00 C ATOM 443 CG PRO A 31 -8.137 2.551 13.459 1.00 0.00 C ATOM 444 CD PRO A 31 -8.832 3.360 12.376 1.00 0.00 C ATOM 0 HA PRO A 31 -8.189 0.511 10.869 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.153 0.395 13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.824 1.018 12.679 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.757 2.499 14.354 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.200 3.026 13.748 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.777 3.770 12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.219 4.203 12.056 1.00 0.00 H new ATOM 449 N MET A 32 -10.860 0.249 10.852 1.00 0.00 N ATOM 450 CA MET A 32 -12.114 -0.481 10.915 1.00 0.00 C ATOM 451 C MET A 32 -12.484 -1.054 9.546 1.00 0.00 C ATOM 452 O MET A 32 -12.810 -2.234 9.429 1.00 0.00 O ATOM 453 CB MET A 32 -13.225 0.453 11.396 1.00 0.00 C ATOM 454 CG MET A 32 -14.327 -0.330 12.114 1.00 0.00 C ATOM 455 SD MET A 32 -13.696 -1.014 13.637 1.00 0.00 S ATOM 456 CE MET A 32 -15.197 -1.059 14.602 1.00 0.00 C ATOM 0 H MET A 32 -10.708 0.761 9.983 1.00 0.00 H new ATOM 0 HA MET A 32 -11.996 -1.309 11.614 1.00 0.00 H new ATOM 0 HB2 MET A 32 -12.809 1.203 12.069 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.649 0.988 10.546 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.173 0.325 12.323 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.694 -1.130 11.471 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.982 -1.463 15.591 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.596 -0.050 14.702 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.931 -1.692 14.103 1.00 0.00 H new ATOM 464 N ILE A 33 -12.422 -0.190 8.543 1.00 0.00 N ATOM 465 CA ILE A 33 -12.747 -0.595 7.185 1.00 0.00 C ATOM 466 C ILE A 33 -11.611 -1.457 6.630 1.00 0.00 C ATOM 467 O ILE A 33 -11.843 -2.337 5.802 1.00 0.00 O ATOM 468 CB ILE A 33 -13.068 0.627 6.324 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.414 1.238 6.721 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.013 0.278 4.835 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.576 0.389 6.201 1.00 0.00 C ATOM 0 H ILE A 33 -12.152 0.788 8.643 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.648 -1.208 7.175 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.305 1.384 6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.475 1.319 7.806 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.490 2.249 6.321 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.245 1.164 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.014 -0.076 4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.741 -0.504 4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.521 0.845 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.526 0.331 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.510 -0.614 6.622 1.00 0.00 H new ATOM 482 N ASN A 34 -10.408 -1.175 7.107 1.00 0.00 N ATOM 483 CA ASN A 34 -9.236 -1.913 6.667 1.00 0.00 C ATOM 484 C ASN A 34 -9.472 -3.410 6.882 1.00 0.00 C ATOM 485 O ASN A 34 -8.975 -4.235 6.116 1.00 0.00 O ATOM 486 CB ASN A 34 -7.998 -1.509 7.472 1.00 0.00 C ATOM 487 CG ASN A 34 -7.344 -0.258 6.881 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.506 0.836 7.620 1.00 0.00 O flip ATOM 489 ND2 ASN A 34 -6.735 -0.284 5.824 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.219 -0.445 7.794 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.071 -1.689 5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.279 -1.322 8.508 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.281 -2.330 7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.648 -1.159 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.313 0.569 5.458 1.00 0.00 H new ATOM 495 N ALA A 35 -10.229 -3.713 7.924 1.00 0.00 N ATOM 496 CA ALA A 35 -10.537 -5.096 8.248 1.00 0.00 C ATOM 497 C ALA A 35 -11.446 -5.679 7.164 1.00 0.00 C ATOM 498 O ALA A 35 -11.212 -6.786 6.684 1.00 0.00 O ATOM 499 CB ALA A 35 -11.169 -5.166 9.640 1.00 0.00 C ATOM 0 H ALA A 35 -10.639 -3.025 8.556 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.627 -5.696 8.273 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.400 -6.203 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.472 -4.767 10.377 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.086 -4.577 9.653 1.00 0.00 H new ATOM 505 N MET A 36 -12.463 -4.907 6.812 1.00 0.00 N ATOM 506 CA MET A 36 -13.408 -5.334 5.794 1.00 0.00 C ATOM 507 C MET A 36 -12.721 -5.483 4.436 1.00 0.00 C ATOM 508 O MET A 36 -12.873 -6.504 3.768 1.00 0.00 O ATOM 509 CB MET A 36 -14.538 -4.307 5.685 1.00 0.00 C ATOM 510 CG MET A 36 -15.021 -3.873 7.070 1.00 0.00 C ATOM 511 SD MET A 36 -16.758 -4.235 7.254 1.00 0.00 S ATOM 512 CE MET A 36 -16.905 -4.155 9.031 1.00 0.00 C ATOM 0 H MET A 36 -12.654 -3.989 7.213 1.00 0.00 H new ATOM 0 HA MET A 36 -13.812 -6.304 6.083 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.191 -3.437 5.128 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.369 -4.734 5.124 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.450 -4.390 7.841 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.847 -2.806 7.206 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.936 -4.359 9.320 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.248 -4.897 9.484 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.621 -3.160 9.375 1.00 0.00 H new ATOM 520 N LEU A 37 -11.979 -4.448 4.067 1.00 0.00 N ATOM 521 CA LEU A 37 -11.268 -4.452 2.800 1.00 0.00 C ATOM 522 C LEU A 37 -10.403 -5.711 2.709 1.00 0.00 C ATOM 523 O LEU A 37 -10.256 -6.291 1.635 1.00 0.00 O ATOM 524 CB LEU A 37 -10.481 -3.151 2.624 1.00 0.00 C ATOM 525 CG LEU A 37 -11.307 -1.909 2.285 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.589 -0.634 2.730 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.662 -1.876 0.796 1.00 0.00 C ATOM 0 H LEU A 37 -11.855 -3.602 4.623 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.972 -4.488 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.929 -2.956 3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.744 -3.299 1.835 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.244 -1.961 2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.198 0.234 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.430 -0.664 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.627 -0.562 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.249 -0.983 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.747 -1.859 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.243 -2.762 0.541 1.00 0.00 H new ATOM 538 N GLN A 38 -9.852 -6.096 3.852 1.00 0.00 N ATOM 539 CA GLN A 38 -9.006 -7.275 3.915 1.00 0.00 C ATOM 540 C GLN A 38 -9.817 -8.528 3.580 1.00 0.00 C ATOM 541 O GLN A 38 -9.340 -9.408 2.864 1.00 0.00 O ATOM 542 CB GLN A 38 -8.343 -7.401 5.287 1.00 0.00 C ATOM 543 CG GLN A 38 -6.845 -7.682 5.149 1.00 0.00 C ATOM 544 CD GLN A 38 -6.400 -8.774 6.124 1.00 0.00 C ATOM 545 OE1 GLN A 38 -7.017 -9.818 6.252 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.296 -8.476 6.803 1.00 0.00 N ATOM 0 H GLN A 38 -9.976 -5.612 4.741 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.214 -7.170 3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.493 -6.482 5.853 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.817 -8.204 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.621 -7.989 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.281 -6.769 5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.827 -7.583 6.648 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.918 -9.140 7.479 1.00 0.00 H new ATOM 553 N GLN A 39 -11.029 -8.571 4.115 1.00 0.00 N ATOM 554 CA GLN A 39 -11.910 -9.703 3.881 1.00 0.00 C ATOM 555 C GLN A 39 -12.269 -9.799 2.397 1.00 0.00 C ATOM 556 O GLN A 39 -12.098 -10.850 1.780 1.00 0.00 O ATOM 557 CB GLN A 39 -13.169 -9.603 4.745 1.00 0.00 C ATOM 558 CG GLN A 39 -13.465 -10.936 5.437 1.00 0.00 C ATOM 559 CD GLN A 39 -14.402 -10.736 6.632 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.155 -9.780 6.710 1.00 0.00 O ATOM 561 NE2 GLN A 39 -14.313 -11.691 7.554 1.00 0.00 N ATOM 0 H GLN A 39 -11.421 -7.841 4.709 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.384 -10.614 4.166 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.040 -8.821 5.493 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.018 -9.314 4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.919 -11.626 4.726 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.533 -11.391 5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.661 -12.464 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.897 -11.650 8.389 1.00 0.00 H new ATOM 568 N LEU A 40 -12.760 -8.689 1.866 1.00 0.00 N ATOM 569 CA LEU A 40 -13.144 -8.635 0.466 1.00 0.00 C ATOM 570 C LEU A 40 -11.951 -9.041 -0.402 1.00 0.00 C ATOM 571 O LEU A 40 -12.108 -9.782 -1.372 1.00 0.00 O ATOM 572 CB LEU A 40 -13.716 -7.259 0.120 1.00 0.00 C ATOM 573 CG LEU A 40 -14.946 -6.823 0.918 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.238 -5.336 0.710 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.157 -7.697 0.580 1.00 0.00 C ATOM 0 H LEU A 40 -12.901 -7.820 2.381 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.944 -9.347 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.932 -6.515 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.973 -7.250 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.732 -6.963 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.117 -5.053 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.382 -4.747 1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.423 -5.146 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -17.018 -7.366 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.382 -7.612 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.934 -8.736 0.821 1.00 0.00 H new ATOM 586 N GLU A 41 -10.786 -8.538 -0.023 1.00 0.00 N ATOM 587 CA GLU A 41 -9.567 -8.839 -0.754 1.00 0.00 C ATOM 588 C GLU A 41 -9.331 -10.351 -0.793 1.00 0.00 C ATOM 589 O GLU A 41 -9.137 -10.925 -1.863 1.00 0.00 O ATOM 590 CB GLU A 41 -8.367 -8.113 -0.144 1.00 0.00 C ATOM 591 CG GLU A 41 -7.094 -8.385 -0.948 1.00 0.00 C ATOM 592 CD GLU A 41 -5.957 -8.848 -0.035 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.473 -8.067 0.798 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.579 -10.069 -0.212 1.00 0.00 O ATOM 0 H GLU A 41 -10.660 -7.924 0.781 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.683 -8.482 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.562 -7.041 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.227 -8.438 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.292 -9.146 -1.703 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.794 -7.481 -1.478 1.00 0.00 H new ATOM 600 N SER A 42 -9.356 -10.951 0.388 1.00 0.00 N ATOM 601 CA SER A 42 -9.147 -12.385 0.502 1.00 0.00 C ATOM 602 C SER A 42 -10.122 -13.130 -0.411 1.00 0.00 C ATOM 603 O SER A 42 -9.726 -14.042 -1.136 1.00 0.00 O ATOM 604 CB SER A 42 -9.314 -12.852 1.950 1.00 0.00 C ATOM 605 OG SER A 42 -8.537 -14.013 2.229 1.00 0.00 O ATOM 0 H SER A 42 -9.518 -10.471 1.273 1.00 0.00 H new ATOM 0 HA SER A 42 -8.126 -12.608 0.192 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.021 -12.049 2.626 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.365 -13.064 2.144 1.00 0.00 H new ATOM 0 HG SER A 42 -8.669 -14.279 3.163 1.00 0.00 H new ATOM 610 N MET A 43 -11.379 -12.716 -0.346 1.00 0.00 N ATOM 611 CA MET A 43 -12.413 -13.333 -1.159 1.00 0.00 C ATOM 612 C MET A 43 -12.132 -13.133 -2.649 1.00 0.00 C ATOM 613 O MET A 43 -12.186 -14.084 -3.427 1.00 0.00 O ATOM 614 CB MET A 43 -13.770 -12.721 -0.808 1.00 0.00 C ATOM 615 CG MET A 43 -14.279 -13.246 0.536 1.00 0.00 C ATOM 616 SD MET A 43 -16.039 -13.527 0.457 1.00 0.00 S ATOM 617 CE MET A 43 -16.205 -14.812 1.685 1.00 0.00 C ATOM 0 H MET A 43 -11.705 -11.961 0.257 1.00 0.00 H new ATOM 0 HA MET A 43 -12.422 -14.403 -0.952 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.684 -11.635 -0.769 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.492 -12.955 -1.591 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.766 -14.173 0.791 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.052 -12.529 1.325 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.251 -15.107 1.764 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.606 -15.674 1.393 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.859 -14.440 2.650 1.00 0.00 H new ATOM 625 N GLY A 44 -11.839 -11.890 -3.002 1.00 0.00 N ATOM 626 CA GLY A 44 -11.550 -11.554 -4.386 1.00 0.00 C ATOM 627 C GLY A 44 -12.709 -10.776 -5.014 1.00 0.00 C ATOM 628 O GLY A 44 -13.150 -11.097 -6.116 1.00 0.00 O ATOM 0 H GLY A 44 -11.796 -11.104 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.638 -10.959 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.368 -12.466 -4.955 1.00 0.00 H new ATOM 632 N LYS A 45 -13.167 -9.769 -4.286 1.00 0.00 N ATOM 633 CA LYS A 45 -14.265 -8.943 -4.758 1.00 0.00 C ATOM 634 C LYS A 45 -13.712 -7.616 -5.283 1.00 0.00 C ATOM 635 O LYS A 45 -13.896 -7.281 -6.451 1.00 0.00 O ATOM 636 CB LYS A 45 -15.323 -8.779 -3.665 1.00 0.00 C ATOM 637 CG LYS A 45 -15.444 -10.053 -2.826 1.00 0.00 C ATOM 638 CD LYS A 45 -16.077 -11.185 -3.637 1.00 0.00 C ATOM 639 CE LYS A 45 -16.625 -12.278 -2.718 1.00 0.00 C ATOM 640 NZ LYS A 45 -16.145 -13.609 -3.152 1.00 0.00 N ATOM 0 H LYS A 45 -12.798 -9.506 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.774 -9.428 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.060 -7.939 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.286 -8.544 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.457 -10.358 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.047 -9.854 -1.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.882 -10.788 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.336 -11.611 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.312 -12.089 -1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.715 -12.257 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.196 -14.274 -2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.741 -13.956 -3.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.160 -13.534 -3.477 1.00 0.00 H new ATOM 649 N ALA A 46 -13.045 -6.897 -4.391 1.00 0.00 N ATOM 650 CA ALA A 46 -12.464 -5.615 -4.748 1.00 0.00 C ATOM 651 C ALA A 46 -11.028 -5.827 -5.232 1.00 0.00 C ATOM 652 O ALA A 46 -10.546 -6.958 -5.278 1.00 0.00 O ATOM 653 CB ALA A 46 -12.540 -4.667 -3.550 1.00 0.00 C ATOM 0 H ALA A 46 -12.895 -7.179 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.023 -5.156 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.104 -3.705 -3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.582 -4.525 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.988 -5.094 -2.712 1.00 0.00 H new ATOM 659 N VAL A 47 -10.385 -4.723 -5.581 1.00 0.00 N ATOM 660 CA VAL A 47 -9.014 -4.774 -6.060 1.00 0.00 C ATOM 661 C VAL A 47 -8.201 -3.667 -5.385 1.00 0.00 C ATOM 662 O VAL A 47 -8.761 -2.677 -4.920 1.00 0.00 O ATOM 663 CB VAL A 47 -8.989 -4.688 -7.587 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.754 -5.855 -8.215 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.543 -3.346 -8.070 1.00 0.00 C ATOM 0 H VAL A 47 -10.788 -3.787 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.552 -5.725 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.950 -4.757 -7.909 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.721 -5.770 -9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.296 -6.796 -7.911 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.791 -5.832 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.514 -3.311 -9.159 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.573 -3.234 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.937 -2.535 -7.665 1.00 0.00 H new ATOM 675 N ARG A 48 -6.892 -3.873 -5.354 1.00 0.00 N ATOM 676 CA ARG A 48 -5.996 -2.905 -4.744 1.00 0.00 C ATOM 677 C ARG A 48 -5.505 -1.904 -5.791 1.00 0.00 C ATOM 678 O ARG A 48 -5.199 -2.283 -6.921 1.00 0.00 O ATOM 679 CB ARG A 48 -4.791 -3.597 -4.104 1.00 0.00 C ATOM 680 CG ARG A 48 -4.343 -2.859 -2.841 1.00 0.00 C ATOM 681 CD ARG A 48 -4.985 -3.468 -1.593 1.00 0.00 C ATOM 682 NE ARG A 48 -3.945 -4.069 -0.729 1.00 0.00 N ATOM 683 CZ ARG A 48 -3.093 -3.355 0.038 1.00 0.00 C ATOM 684 NH1 ARG A 48 -3.153 -2.006 0.056 1.00 0.00 N ATOM 685 NH2 ARG A 48 -2.202 -3.996 0.771 1.00 0.00 N ATOM 0 H ARG A 48 -6.431 -4.696 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.553 -2.380 -3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.048 -4.627 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.968 -3.637 -4.818 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.257 -2.904 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.613 -1.806 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.528 -2.700 -1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.712 -4.227 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.867 -5.086 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.846 -1.519 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.506 -1.474 0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.164 -5.015 0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.551 -3.472 1.356 1.00 0.00 H new ATOM 695 N ILE A 49 -5.443 -0.647 -5.379 1.00 0.00 N ATOM 696 CA ILE A 49 -4.994 0.412 -6.267 1.00 0.00 C ATOM 697 C ILE A 49 -3.713 1.033 -5.706 1.00 0.00 C ATOM 698 O ILE A 49 -3.498 1.033 -4.495 1.00 0.00 O ATOM 699 CB ILE A 49 -6.116 1.424 -6.505 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.280 0.785 -7.265 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.586 2.673 -7.212 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.834 0.306 -8.649 1.00 0.00 C ATOM 0 H ILE A 49 -5.697 -0.337 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.749 0.007 -7.249 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.501 1.741 -5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.674 -0.056 -6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.091 1.506 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.404 3.377 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.818 3.141 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.158 2.392 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.680 -0.144 -9.168 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.464 1.154 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.040 -0.433 -8.540 1.00 0.00 H new ATOM 713 N GLN A 50 -2.897 1.548 -6.614 1.00 0.00 N ATOM 714 CA GLN A 50 -1.643 2.171 -6.224 1.00 0.00 C ATOM 715 C GLN A 50 -1.682 3.672 -6.522 1.00 0.00 C ATOM 716 O GLN A 50 -2.375 4.109 -7.438 1.00 0.00 O ATOM 717 CB GLN A 50 -0.458 1.504 -6.925 1.00 0.00 C ATOM 718 CG GLN A 50 0.841 2.265 -6.651 1.00 0.00 C ATOM 719 CD GLN A 50 2.057 1.353 -6.824 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.055 0.413 -7.599 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.093 1.683 -6.057 1.00 0.00 N ATOM 0 H GLN A 50 -3.079 1.547 -7.618 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.511 2.036 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.360 0.474 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.641 1.465 -7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.919 3.114 -7.330 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.825 2.667 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.028 2.484 -5.429 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.952 1.135 -6.097 1.00 0.00 H new ATOM 728 N GLU A 51 -0.927 4.419 -5.729 1.00 0.00 N ATOM 729 CA GLU A 51 -0.867 5.861 -5.896 1.00 0.00 C ATOM 730 C GLU A 51 0.403 6.255 -6.654 1.00 0.00 C ATOM 731 O GLU A 51 1.303 5.435 -6.834 1.00 0.00 O ATOM 732 CB GLU A 51 -0.940 6.573 -4.544 1.00 0.00 C ATOM 733 CG GLU A 51 -2.300 7.247 -4.354 1.00 0.00 C ATOM 734 CD GLU A 51 -2.140 8.646 -3.753 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.332 8.826 -2.542 1.00 0.00 O ATOM 736 OE2 GLU A 51 -1.802 9.564 -4.594 1.00 0.00 O ATOM 0 H GLU A 51 -0.352 4.053 -4.970 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.730 6.175 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.770 5.856 -3.741 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.148 7.319 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.813 7.316 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.925 6.636 -3.702 1.00 0.00 H new ATOM 975 N ARG A 72 0.656 4.965 -0.622 1.00 0.00 N ATOM 976 CA ARG A 72 -0.686 4.869 -0.074 1.00 0.00 C ATOM 977 C ARG A 72 -1.597 4.096 -1.031 1.00 0.00 C ATOM 978 O ARG A 72 -2.229 4.687 -1.904 1.00 0.00 O ATOM 979 CB ARG A 72 -1.280 6.256 0.176 1.00 0.00 C ATOM 980 CG ARG A 72 -1.150 6.652 1.648 1.00 0.00 C ATOM 981 CD ARG A 72 -2.522 6.703 2.325 1.00 0.00 C ATOM 982 NE ARG A 72 -2.399 7.307 3.671 1.00 0.00 N ATOM 983 CZ ARG A 72 -2.123 8.609 3.893 1.00 0.00 C ATOM 984 NH1 ARG A 72 -1.939 9.457 2.859 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.037 9.042 5.137 1.00 0.00 N ATOM 0 HA ARG A 72 -0.618 4.339 0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.772 6.991 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.331 6.263 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.511 5.936 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.666 7.626 1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.215 7.285 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.935 5.698 2.405 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.531 6.701 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.008 9.115 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.731 10.440 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.178 8.395 5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.829 10.023 5.322 1.00 0.00 H new ATOM 995 N GLU A 73 -1.635 2.787 -0.833 1.00 0.00 N ATOM 996 CA GLU A 73 -2.458 1.927 -1.667 1.00 0.00 C ATOM 997 C GLU A 73 -3.932 2.313 -1.534 1.00 0.00 C ATOM 998 O GLU A 73 -4.412 2.578 -0.433 1.00 0.00 O ATOM 999 CB GLU A 73 -2.243 0.454 -1.316 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.803 0.024 -1.611 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.339 -1.050 -0.626 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.188 -0.721 0.447 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -0.544 -2.265 -1.007 1.00 0.00 O ATOM 0 H GLU A 73 -1.109 2.300 -0.107 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.158 2.066 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.466 0.291 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.935 -0.164 -1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.735 -0.358 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.142 0.888 -1.550 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.610 2.332 -2.673 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.021 2.680 -2.697 1.00 0.00 C ATOM 1011 C TRP A 74 -6.823 1.391 -2.881 1.00 0.00 C ATOM 1012 O TRP A 74 -6.254 0.336 -3.155 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.309 3.722 -3.781 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.014 5.162 -3.354 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.819 5.631 -2.114 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.890 6.309 -4.221 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.578 6.989 -2.119 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.624 7.414 -3.441 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.000 6.406 -5.619 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.443 8.699 -3.969 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.818 7.697 -6.131 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.548 8.821 -5.359 1.00 0.00 C ATOM 0 H TRP A 74 -4.209 2.112 -3.585 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.320 3.145 -1.757 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.715 3.487 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.357 3.648 -4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.847 5.022 -1.223 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.399 7.574 -1.303 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.208 5.553 -6.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.234 9.550 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -5.893 7.828 -7.200 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.420 9.784 -5.830 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.132 1.519 -2.721 1.00 0.00 N ATOM 1033 CA TRP A 75 -9.018 0.376 -2.865 1.00 0.00 C ATOM 1034 C TRP A 75 -10.062 0.719 -3.932 1.00 0.00 C ATOM 1035 O TRP A 75 -10.445 1.878 -4.080 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.641 -0.007 -1.521 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.635 -0.538 -0.498 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.980 0.148 0.448 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -8.193 -1.905 -0.356 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -7.151 -0.673 1.186 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.285 -1.960 0.681 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.548 -3.057 -1.082 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.657 -3.144 1.088 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.912 -4.231 -0.662 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.996 -4.304 0.380 1.00 0.00 C ATOM 0 H TRP A 75 -8.600 2.396 -2.493 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.463 -0.504 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.143 0.866 -1.103 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.406 -0.764 -1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -8.087 1.210 0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.551 -0.387 1.960 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.255 -3.037 -1.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.949 -3.162 1.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -8.150 -5.145 -1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.547 -5.251 0.643 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.491 -0.311 -4.646 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.482 -0.134 -5.693 1.00 0.00 C ATOM 1057 C ALA A 76 -12.212 -1.458 -5.928 1.00 0.00 C ATOM 1058 O ALA A 76 -11.906 -2.462 -5.286 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.799 0.388 -6.959 1.00 0.00 C ATOM 0 H ALA A 76 -10.170 -1.271 -4.520 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.227 0.604 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.542 0.521 -7.745 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.321 1.344 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.047 -0.329 -7.289 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.163 -1.417 -6.850 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.939 -2.601 -7.176 1.00 0.00 C ATOM 1067 C LEU A 77 -13.376 -3.240 -8.449 1.00 0.00 C ATOM 1068 O LEU A 77 -12.727 -2.568 -9.249 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.427 -2.259 -7.268 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.963 -1.307 -6.198 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.374 -0.828 -6.545 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.903 -1.953 -4.811 1.00 0.00 C ATOM 0 H LEU A 77 -13.413 -0.583 -7.381 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.854 -3.342 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.619 -1.819 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.997 -3.187 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.322 -0.426 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.730 -0.153 -5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.356 -0.304 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.043 -1.686 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.290 -1.256 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.507 -2.861 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.870 -2.203 -4.571 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.644 -4.529 -8.593 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.170 -5.265 -9.753 1.00 0.00 C ATOM 1085 C ARG A 78 -13.938 -4.835 -11.005 1.00 0.00 C ATOM 1086 O ARG A 78 -14.454 -3.719 -11.067 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.339 -6.773 -9.556 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.773 -7.549 -10.746 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.243 -7.556 -10.719 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.713 -7.682 -12.095 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.625 -8.848 -12.769 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -11.033 -10.001 -12.199 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.135 -8.843 -13.995 1.00 0.00 N ATOM 0 H ARG A 78 -14.183 -5.082 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.110 -5.041 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.833 -7.083 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.395 -7.011 -9.432 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.145 -8.573 -10.727 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.122 -7.100 -11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.875 -6.638 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.886 -8.383 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.394 -6.834 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.411 -9.996 -11.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.963 -10.878 -12.715 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.830 -7.967 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.062 -9.715 -14.518 1.00 0.00 H new