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 : amide:sc= -0.151 X(o=-0.43,f=-0.42) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.274 X(o=-0.43,f=-0.34) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.0184 F(o=-0.75,f=-0.018) USER MOD Single : A 17 MET CE :methyl -132:sc= -3.21! (180deg=-9.44!) USER MOD Single : A 21 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.16) USER MOD Single : A 23 SER OG : rot -30:sc= 0.307 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 27 ASN : amide:sc= -0.0833 K(o=-0.083,f=-0.87) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 160:sc= -1.24 (180deg=-1.87) USER MOD Single : A 38 GLN : amide:sc= -0.0869 X(o=-0.087,f=-0.34) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.046) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.187 F(o=-1.7,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 4 -20.907 -2.956 4.853 1.00 0.00 N ATOM 37 CA LEU A 4 -20.074 -3.337 3.726 1.00 0.00 C ATOM 38 C LEU A 4 -20.634 -2.710 2.447 1.00 0.00 C ATOM 39 O LEU A 4 -19.878 -2.321 1.559 1.00 0.00 O ATOM 40 CB LEU A 4 -19.935 -4.860 3.652 1.00 0.00 C ATOM 41 CG LEU A 4 -18.516 -5.411 3.801 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.538 -6.859 4.296 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.730 -5.263 2.496 1.00 0.00 C ATOM 0 HA LEU A 4 -19.062 -2.952 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.558 -5.300 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -20.335 -5.196 2.695 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.999 -4.821 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.516 -7.226 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.034 -6.905 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.080 -7.479 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.725 -5.662 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.236 -5.812 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.669 -4.209 2.226 1.00 0.00 H new ATOM 54 N ILE A 5 -21.956 -2.630 2.395 1.00 0.00 N ATOM 55 CA ILE A 5 -22.626 -2.056 1.242 1.00 0.00 C ATOM 56 C ILE A 5 -22.246 -0.579 1.119 1.00 0.00 C ATOM 57 O ILE A 5 -22.155 -0.047 0.013 1.00 0.00 O ATOM 58 CB ILE A 5 -24.134 -2.299 1.323 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.437 -3.732 1.764 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.818 -1.951 -0.002 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.581 -4.736 0.990 1.00 0.00 C ATOM 0 H ILE A 5 -22.581 -2.954 3.134 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.296 -2.547 0.326 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.545 -1.635 2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.248 -3.835 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.493 -3.950 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -25.889 -2.133 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.646 -0.900 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.407 -2.572 -0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.816 -5.747 1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.790 -4.647 -0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.526 -4.530 1.171 1.00 0.00 H new ATOM 72 N GLN A 6 -22.036 0.043 2.270 1.00 0.00 N ATOM 73 CA GLN A 6 -21.668 1.448 2.306 1.00 0.00 C ATOM 74 C GLN A 6 -20.323 1.662 1.609 1.00 0.00 C ATOM 75 O GLN A 6 -20.212 2.493 0.708 1.00 0.00 O ATOM 76 CB GLN A 6 -21.629 1.968 3.744 1.00 0.00 C ATOM 77 CG GLN A 6 -22.978 2.568 4.146 1.00 0.00 C ATOM 78 CD GLN A 6 -22.789 3.754 5.094 1.00 0.00 C ATOM 79 OE1 GLN A 6 -22.163 4.790 4.545 1.00 0.00 O flip ATOM 80 NE2 GLN A 6 -23.188 3.730 6.248 1.00 0.00 N flip ATOM 0 H GLN A 6 -22.114 -0.401 3.185 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.428 2.016 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.372 1.154 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.848 2.722 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.516 2.892 3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.590 1.806 4.629 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -23.662 2.901 6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -23.047 4.539 6.853 1.00 0.00 H new ATOM 87 N VAL A 7 -19.335 0.899 2.051 1.00 0.00 N ATOM 88 CA VAL A 7 -18.002 0.996 1.481 1.00 0.00 C ATOM 89 C VAL A 7 -18.032 0.494 0.036 1.00 0.00 C ATOM 90 O VAL A 7 -17.365 1.053 -0.833 1.00 0.00 O ATOM 91 CB VAL A 7 -17.003 0.236 2.356 1.00 0.00 C ATOM 92 CG1 VAL A 7 -17.454 -1.209 2.578 1.00 0.00 C ATOM 93 CG2 VAL A 7 -15.598 0.285 1.751 1.00 0.00 C ATOM 0 H VAL A 7 -19.431 0.211 2.798 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.671 2.034 1.458 1.00 0.00 H new ATOM 0 HB VAL A 7 -16.968 0.728 3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.726 -1.726 3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -18.425 -1.215 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.533 -1.717 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.907 -0.262 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.612 -0.170 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.273 1.322 1.669 1.00 0.00 H new ATOM 103 N ARG A 8 -18.814 -0.556 -0.176 1.00 0.00 N ATOM 104 CA ARG A 8 -18.941 -1.139 -1.501 1.00 0.00 C ATOM 105 C ARG A 8 -19.581 -0.136 -2.464 1.00 0.00 C ATOM 106 O ARG A 8 -19.197 -0.058 -3.629 1.00 0.00 O ATOM 107 CB ARG A 8 -19.787 -2.413 -1.463 1.00 0.00 C ATOM 108 CG ARG A 8 -18.951 -3.615 -1.022 1.00 0.00 C ATOM 109 CD ARG A 8 -19.411 -4.892 -1.728 1.00 0.00 C ATOM 110 NE ARG A 8 -19.360 -6.035 -0.789 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.962 -7.224 -1.011 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.666 -7.434 -2.143 1.00 0.00 N ATOM 113 NH2 ARG A 8 -19.851 -8.175 -0.104 1.00 0.00 N ATOM 0 H ARG A 8 -19.365 -1.017 0.548 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.940 -1.392 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.624 -2.277 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.210 -2.602 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.899 -3.432 -1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.032 -3.743 0.057 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.426 -4.764 -2.104 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -18.774 -5.090 -2.590 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.838 -5.918 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.747 -6.692 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.118 -8.334 -2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -19.317 -8.007 0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.299 -9.079 -0.255 1.00 0.00 H new ATOM 123 N ASP A 9 -20.547 0.604 -1.939 1.00 0.00 N ATOM 124 CA ASP A 9 -21.245 1.598 -2.738 1.00 0.00 C ATOM 125 C ASP A 9 -20.340 2.817 -2.930 1.00 0.00 C ATOM 126 O ASP A 9 -20.272 3.376 -4.024 1.00 0.00 O ATOM 127 CB ASP A 9 -22.525 2.063 -2.041 1.00 0.00 C ATOM 128 CG ASP A 9 -23.544 2.751 -2.953 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.812 3.954 -2.819 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.080 1.988 -3.844 1.00 0.00 O ATOM 0 H ASP A 9 -20.863 0.535 -0.971 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.501 1.144 -3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.001 1.200 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.255 2.750 -1.239 1.00 0.00 H new ATOM 135 N LEU A 10 -19.670 3.192 -1.851 1.00 0.00 N ATOM 136 CA LEU A 10 -18.773 4.336 -1.888 1.00 0.00 C ATOM 137 C LEU A 10 -17.631 4.051 -2.864 1.00 0.00 C ATOM 138 O LEU A 10 -17.351 4.856 -3.750 1.00 0.00 O ATOM 139 CB LEU A 10 -18.302 4.692 -0.477 1.00 0.00 C ATOM 140 CG LEU A 10 -19.072 5.814 0.224 1.00 0.00 C ATOM 141 CD1 LEU A 10 -18.976 7.120 -0.565 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.523 5.404 0.483 1.00 0.00 C ATOM 0 H LEU A 10 -19.729 2.725 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.295 5.219 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.361 3.796 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.251 4.976 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.610 5.991 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.532 7.901 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -17.931 7.416 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.397 6.976 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.048 6.219 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.013 5.183 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.543 4.518 1.117 1.00 0.00 H new ATOM 153 N LEU A 11 -17.001 2.901 -2.669 1.00 0.00 N ATOM 154 CA LEU A 11 -15.894 2.500 -3.521 1.00 0.00 C ATOM 155 C LEU A 11 -16.365 2.464 -4.976 1.00 0.00 C ATOM 156 O LEU A 11 -15.559 2.597 -5.896 1.00 0.00 O ATOM 157 CB LEU A 11 -15.296 1.178 -3.035 1.00 0.00 C ATOM 158 CG LEU A 11 -14.117 1.291 -2.067 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.800 -0.063 -1.429 1.00 0.00 C ATOM 160 CD2 LEU A 11 -12.896 1.899 -2.758 1.00 0.00 C ATOM 0 H LEU A 11 -17.236 2.235 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.085 3.229 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.084 0.602 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.973 0.607 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.401 1.968 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.958 0.045 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.671 -0.419 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.545 -0.781 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.072 1.968 -2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.600 1.268 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.144 2.895 -3.124 1.00 0.00 H new ATOM 171 N ALA A 12 -17.667 2.285 -5.140 1.00 0.00 N ATOM 172 CA ALA A 12 -18.254 2.230 -6.469 1.00 0.00 C ATOM 173 C ALA A 12 -18.576 3.650 -6.937 1.00 0.00 C ATOM 174 O ALA A 12 -18.071 4.098 -7.966 1.00 0.00 O ATOM 175 CB ALA A 12 -19.491 1.329 -6.444 1.00 0.00 C ATOM 0 H ALA A 12 -18.333 2.176 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.552 1.799 -7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.931 1.288 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.203 0.325 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.220 1.732 -5.741 1.00 0.00 H new ATOM 181 N LEU A 13 -19.417 4.319 -6.161 1.00 0.00 N ATOM 182 CA LEU A 13 -19.813 5.680 -6.484 1.00 0.00 C ATOM 183 C LEU A 13 -18.563 6.554 -6.608 1.00 0.00 C ATOM 184 O LEU A 13 -18.309 7.134 -7.663 1.00 0.00 O ATOM 185 CB LEU A 13 -20.828 6.198 -5.465 1.00 0.00 C ATOM 186 CG LEU A 13 -22.292 5.850 -5.738 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.716 6.320 -7.132 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.548 4.356 -5.535 1.00 0.00 C ATOM 0 H LEU A 13 -19.835 3.944 -5.310 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.321 5.711 -7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.559 5.807 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.737 7.283 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.910 6.383 -5.016 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.761 6.060 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.594 7.401 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -22.095 5.834 -7.884 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.597 4.136 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.920 3.783 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.310 4.082 -4.507 1.00 0.00 H new ATOM 199 N ARG A 14 -17.816 6.621 -5.515 1.00 0.00 N ATOM 200 CA ARG A 14 -16.600 7.415 -5.489 1.00 0.00 C ATOM 201 C ARG A 14 -15.500 6.728 -6.301 1.00 0.00 C ATOM 202 O ARG A 14 -14.462 7.328 -6.580 1.00 0.00 O ATOM 203 CB ARG A 14 -16.110 7.624 -4.054 1.00 0.00 C ATOM 204 CG ARG A 14 -16.963 8.669 -3.330 1.00 0.00 C ATOM 205 CD ARG A 14 -18.447 8.481 -3.651 1.00 0.00 C ATOM 206 NE ARG A 14 -19.258 9.449 -2.877 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.522 10.708 -3.281 1.00 0.00 C ATOM 208 NH1 ARG A 14 -19.041 11.166 -4.457 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.259 11.487 -2.510 1.00 0.00 N ATOM 0 H ARG A 14 -18.030 6.139 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.828 8.386 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.148 6.679 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -15.068 7.944 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.807 8.590 -2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.647 9.670 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.618 8.622 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.754 7.463 -3.411 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.641 9.144 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.473 10.558 -5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -19.246 12.120 -4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.619 11.134 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.468 12.442 -2.801 1.00 0.00 H new ATOM 219 N GLY A 15 -15.763 5.480 -6.656 1.00 0.00 N ATOM 220 CA GLY A 15 -14.808 4.705 -7.430 1.00 0.00 C ATOM 221 C GLY A 15 -13.535 4.438 -6.623 1.00 0.00 C ATOM 222 O GLY A 15 -13.584 4.327 -5.399 1.00 0.00 O ATOM 0 H GLY A 15 -16.624 4.985 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.259 3.758 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.557 5.241 -8.345 1.00 0.00 H new ATOM 226 N ARG A 16 -12.426 4.344 -7.342 1.00 0.00 N ATOM 227 CA ARG A 16 -11.143 4.093 -6.707 1.00 0.00 C ATOM 228 C ARG A 16 -10.801 5.224 -5.735 1.00 0.00 C ATOM 229 O ARG A 16 -10.802 6.394 -6.114 1.00 0.00 O ATOM 230 CB ARG A 16 -10.029 3.971 -7.750 1.00 0.00 C ATOM 231 CG ARG A 16 -10.342 2.866 -8.759 1.00 0.00 C ATOM 232 CD ARG A 16 -9.057 2.218 -9.280 1.00 0.00 C ATOM 233 NE ARG A 16 -9.161 1.985 -10.737 1.00 0.00 N ATOM 234 CZ ARG A 16 -9.793 0.930 -11.292 1.00 0.00 C ATOM 235 NH1 ARG A 16 -10.384 -0.001 -10.514 1.00 0.00 N ATOM 236 NH2 ARG A 16 -9.826 0.821 -12.607 1.00 0.00 N ATOM 0 H ARG A 16 -12.389 4.437 -8.357 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.220 3.153 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.908 4.921 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.083 3.757 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.971 2.109 -8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.909 3.280 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.203 2.861 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.881 1.274 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.728 2.665 -11.362 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.355 0.090 -9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.860 -0.796 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.378 1.529 -13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.300 0.029 -13.041 1.00 0.00 H new ATOM 246 N MET A 17 -10.518 4.834 -4.501 1.00 0.00 N ATOM 247 CA MET A 17 -10.175 5.800 -3.471 1.00 0.00 C ATOM 248 C MET A 17 -9.743 5.098 -2.182 1.00 0.00 C ATOM 249 O MET A 17 -10.184 3.986 -1.899 1.00 0.00 O ATOM 250 CB MET A 17 -11.384 6.694 -3.186 1.00 0.00 C ATOM 251 CG MET A 17 -11.063 7.720 -2.097 1.00 0.00 C ATOM 252 SD MET A 17 -9.899 8.922 -2.716 1.00 0.00 S ATOM 253 CE MET A 17 -8.780 9.014 -1.328 1.00 0.00 C ATOM 0 H MET A 17 -10.519 3.862 -4.191 1.00 0.00 H new ATOM 0 HA MET A 17 -9.342 6.404 -3.829 1.00 0.00 H new ATOM 0 HB2 MET A 17 -11.683 7.209 -4.099 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.229 6.080 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.977 8.219 -1.775 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.649 7.217 -1.223 1.00 0.00 H new ATOM 0 HE1 MET A 17 -8.593 10.059 -1.080 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.224 8.511 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 17 -7.839 8.528 -1.586 1.00 0.00 H new ATOM 261 N GLU A 18 -8.885 5.777 -1.436 1.00 0.00 N ATOM 262 CA GLU A 18 -8.388 5.232 -0.184 1.00 0.00 C ATOM 263 C GLU A 18 -9.549 4.967 0.778 1.00 0.00 C ATOM 264 O GLU A 18 -10.609 5.579 0.659 1.00 0.00 O ATOM 265 CB GLU A 18 -7.354 6.166 0.450 1.00 0.00 C ATOM 266 CG GLU A 18 -6.453 5.406 1.424 1.00 0.00 C ATOM 267 CD GLU A 18 -4.978 5.594 1.067 1.00 0.00 C ATOM 268 OE1 GLU A 18 -4.618 6.587 0.418 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.192 4.663 1.492 1.00 0.00 O ATOM 0 H GLU A 18 -8.521 6.700 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.892 4.285 -0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.747 6.625 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.863 6.975 0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.632 5.757 2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.703 4.345 1.404 1.00 0.00 H new ATOM 275 N ALA A 19 -9.308 4.055 1.708 1.00 0.00 N ATOM 276 CA ALA A 19 -10.320 3.702 2.689 1.00 0.00 C ATOM 277 C ALA A 19 -10.560 4.893 3.620 1.00 0.00 C ATOM 278 O ALA A 19 -11.695 5.160 4.011 1.00 0.00 O ATOM 279 CB ALA A 19 -9.879 2.449 3.448 1.00 0.00 C ATOM 0 H ALA A 19 -8.427 3.550 1.803 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.266 3.471 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.638 2.184 4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.750 1.625 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.934 2.644 3.955 1.00 0.00 H new ATOM 285 N ALA A 20 -9.473 5.576 3.946 1.00 0.00 N ATOM 286 CA ALA A 20 -9.551 6.732 4.823 1.00 0.00 C ATOM 287 C ALA A 20 -10.737 7.604 4.405 1.00 0.00 C ATOM 288 O ALA A 20 -11.426 8.169 5.253 1.00 0.00 O ATOM 289 CB ALA A 20 -8.225 7.493 4.783 1.00 0.00 C ATOM 0 H ALA A 20 -8.533 5.351 3.619 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.717 6.421 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.283 8.360 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.420 6.838 5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.026 7.824 3.764 1.00 0.00 H new ATOM 295 N GLN A 21 -10.938 7.686 3.099 1.00 0.00 N ATOM 296 CA GLN A 21 -12.030 8.480 2.559 1.00 0.00 C ATOM 297 C GLN A 21 -13.368 7.783 2.809 1.00 0.00 C ATOM 298 O GLN A 21 -14.293 8.385 3.353 1.00 0.00 O ATOM 299 CB GLN A 21 -11.823 8.752 1.067 1.00 0.00 C ATOM 300 CG GLN A 21 -11.199 10.131 0.842 1.00 0.00 C ATOM 301 CD GLN A 21 -12.271 11.166 0.492 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.362 12.227 1.087 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.072 10.800 -0.503 1.00 0.00 N ATOM 0 H GLN A 21 -10.364 7.217 2.398 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.043 9.442 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.179 7.983 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.779 8.692 0.547 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.665 10.444 1.740 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.465 10.076 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.940 9.897 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.819 11.422 -0.812 1.00 0.00 H new ATOM 310 N ILE A 22 -13.429 6.524 2.401 1.00 0.00 N ATOM 311 CA ILE A 22 -14.639 5.738 2.574 1.00 0.00 C ATOM 312 C ILE A 22 -15.015 5.710 4.058 1.00 0.00 C ATOM 313 O ILE A 22 -16.172 5.933 4.413 1.00 0.00 O ATOM 314 CB ILE A 22 -14.469 4.350 1.957 1.00 0.00 C ATOM 315 CG1 ILE A 22 -14.253 4.444 0.445 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.650 3.443 2.311 1.00 0.00 C ATOM 317 CD1 ILE A 22 -13.049 3.606 0.009 1.00 0.00 C ATOM 0 H ILE A 22 -12.660 6.028 1.951 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.472 6.198 2.042 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.575 3.895 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.147 4.101 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.098 5.485 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.503 2.462 1.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.716 3.338 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.573 3.883 1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.918 3.691 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.153 3.968 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.218 2.562 0.273 1.00 0.00 H new ATOM 328 N SER A 23 -14.017 5.433 4.883 1.00 0.00 N ATOM 329 CA SER A 23 -14.228 5.373 6.320 1.00 0.00 C ATOM 330 C SER A 23 -14.825 6.691 6.816 1.00 0.00 C ATOM 331 O SER A 23 -15.699 6.694 7.683 1.00 0.00 O ATOM 332 CB SER A 23 -12.921 5.070 7.056 1.00 0.00 C ATOM 333 OG SER A 23 -11.980 6.134 6.931 1.00 0.00 O ATOM 0 H SER A 23 -13.059 5.247 4.584 1.00 0.00 H new ATOM 0 HA SER A 23 -14.927 4.564 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.131 4.894 8.111 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.486 4.152 6.660 1.00 0.00 H new ATOM 0 HG SER A 23 -12.113 6.589 6.073 1.00 0.00 H new ATOM 338 N GLN A 24 -14.329 7.780 6.247 1.00 0.00 N ATOM 339 CA GLN A 24 -14.803 9.102 6.622 1.00 0.00 C ATOM 340 C GLN A 24 -16.279 9.261 6.253 1.00 0.00 C ATOM 341 O GLN A 24 -17.071 9.763 7.049 1.00 0.00 O ATOM 342 CB GLN A 24 -13.954 10.194 5.968 1.00 0.00 C ATOM 343 CG GLN A 24 -13.017 10.844 6.989 1.00 0.00 C ATOM 344 CD GLN A 24 -12.667 12.277 6.577 1.00 0.00 C ATOM 345 OE1 GLN A 24 -12.638 12.624 5.408 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.405 13.084 7.601 1.00 0.00 N ATOM 0 H GLN A 24 -13.604 7.774 5.529 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.705 9.209 7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.370 9.767 5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.604 10.952 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.490 10.849 7.971 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.105 10.254 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.448 12.727 8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.161 14.060 7.432 1.00 0.00 H new ATOM 353 N THR A 25 -16.605 8.824 5.045 1.00 0.00 N ATOM 354 CA THR A 25 -17.972 8.912 4.561 1.00 0.00 C ATOM 355 C THR A 25 -18.951 8.453 5.643 1.00 0.00 C ATOM 356 O THR A 25 -19.950 9.120 5.905 1.00 0.00 O ATOM 357 CB THR A 25 -18.069 8.100 3.268 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.103 8.697 2.409 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.398 8.313 2.540 1.00 0.00 C ATOM 0 H THR A 25 -15.946 8.408 4.387 1.00 0.00 H new ATOM 0 HA THR A 25 -18.247 9.942 4.335 1.00 0.00 H new ATOM 0 HB THR A 25 -17.946 7.041 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.098 8.230 1.548 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.414 7.714 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.220 8.010 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.507 9.367 2.283 1.00 0.00 H new ATOM 367 N LEU A 26 -18.631 7.314 6.241 1.00 0.00 N ATOM 368 CA LEU A 26 -19.469 6.758 7.289 1.00 0.00 C ATOM 369 C LEU A 26 -18.869 7.100 8.654 1.00 0.00 C ATOM 370 O LEU A 26 -19.124 6.409 9.639 1.00 0.00 O ATOM 371 CB LEU A 26 -19.679 5.258 7.068 1.00 0.00 C ATOM 372 CG LEU A 26 -18.553 4.525 6.333 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.498 3.054 6.746 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.689 4.691 4.818 1.00 0.00 C ATOM 0 H LEU A 26 -17.803 6.762 6.019 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.463 7.204 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.821 4.784 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.603 5.119 6.507 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.604 4.977 6.622 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.690 2.556 6.210 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.319 2.984 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.445 2.572 6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.877 4.161 4.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.645 4.281 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.642 5.750 4.562 1.00 0.00 H new ATOM 385 N ASN A 27 -18.082 8.166 8.668 1.00 0.00 N ATOM 386 CA ASN A 27 -17.443 8.609 9.895 1.00 0.00 C ATOM 387 C ASN A 27 -16.982 7.388 10.694 1.00 0.00 C ATOM 388 O ASN A 27 -16.944 7.424 11.923 1.00 0.00 O ATOM 389 CB ASN A 27 -18.416 9.405 10.768 1.00 0.00 C ATOM 390 CG ASN A 27 -17.718 10.599 11.420 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.509 10.632 11.581 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.543 11.575 11.785 1.00 0.00 N ATOM 0 H ASN A 27 -17.872 8.736 7.848 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.599 9.244 9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.251 9.755 10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.832 8.757 11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.174 12.416 12.229 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.546 11.483 11.621 1.00 0.00 H new ATOM 398 N THR A 28 -16.644 6.336 9.964 1.00 0.00 N ATOM 399 CA THR A 28 -16.187 5.106 10.588 1.00 0.00 C ATOM 400 C THR A 28 -14.692 5.189 10.898 1.00 0.00 C ATOM 401 O THR A 28 -13.988 6.040 10.356 1.00 0.00 O ATOM 402 CB THR A 28 -16.552 3.942 9.664 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.156 2.987 10.532 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.320 3.221 9.116 1.00 0.00 C ATOM 0 H THR A 28 -16.677 6.310 8.945 1.00 0.00 H new ATOM 0 HA THR A 28 -16.678 4.944 11.548 1.00 0.00 H new ATOM 0 HB THR A 28 -17.154 4.312 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.425 2.199 10.015 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.635 2.404 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.711 3.923 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.734 2.821 9.944 1.00 0.00 H new ATOM 412 N PRO A 29 -14.238 4.270 11.793 1.00 0.00 N ATOM 413 CA PRO A 29 -12.839 4.232 12.181 1.00 0.00 C ATOM 414 C PRO A 29 -11.978 3.626 11.072 1.00 0.00 C ATOM 415 O PRO A 29 -12.362 2.636 10.453 1.00 0.00 O ATOM 416 CB PRO A 29 -12.810 3.419 13.466 1.00 0.00 C ATOM 417 CG PRO A 29 -14.117 2.644 13.498 1.00 0.00 C ATOM 418 CD PRO A 29 -15.043 3.248 12.456 1.00 0.00 C ATOM 0 HA PRO A 29 -12.420 5.225 12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.955 2.743 13.482 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.719 4.068 14.337 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.941 1.589 13.286 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.569 2.699 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.388 2.494 11.748 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.930 3.681 12.918 1.00 0.00 H new ATOM 423 N GLN A 30 -10.828 4.248 10.853 1.00 0.00 N ATOM 424 CA GLN A 30 -9.909 3.782 9.828 1.00 0.00 C ATOM 425 C GLN A 30 -9.725 2.267 9.928 1.00 0.00 C ATOM 426 O GLN A 30 -9.879 1.553 8.938 1.00 0.00 O ATOM 427 CB GLN A 30 -8.564 4.505 9.929 1.00 0.00 C ATOM 428 CG GLN A 30 -8.131 5.048 8.566 1.00 0.00 C ATOM 429 CD GLN A 30 -7.548 3.936 7.692 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.496 3.382 7.966 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.289 3.639 6.627 1.00 0.00 N ATOM 0 H GLN A 30 -10.512 5.070 11.368 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.337 4.012 8.852 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.640 5.325 10.644 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.806 3.820 10.309 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.986 5.500 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.389 5.834 8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.160 4.141 6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.986 2.909 5.982 1.00 0.00 H new ATOM 438 N PRO A 31 -9.391 1.809 11.164 1.00 0.00 N ATOM 439 CA PRO A 31 -9.186 0.391 11.406 1.00 0.00 C ATOM 440 C PRO A 31 -10.519 -0.358 11.451 1.00 0.00 C ATOM 441 O PRO A 31 -10.802 -1.074 12.411 1.00 0.00 O ATOM 442 CB PRO A 31 -8.421 0.322 12.718 1.00 0.00 C ATOM 443 CG PRO A 31 -8.634 1.667 13.394 1.00 0.00 C ATOM 444 CD PRO A 31 -9.201 2.624 12.360 1.00 0.00 C ATOM 0 HA PRO A 31 -8.625 -0.094 10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.789 -0.492 13.343 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.361 0.136 12.543 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.318 1.567 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.693 2.048 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.142 3.058 12.697 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.518 3.452 12.170 1.00 0.00 H new ATOM 449 N MET A 32 -11.305 -0.165 10.401 1.00 0.00 N ATOM 450 CA MET A 32 -12.603 -0.813 10.309 1.00 0.00 C ATOM 451 C MET A 32 -12.915 -1.213 8.865 1.00 0.00 C ATOM 452 O MET A 32 -13.375 -2.325 8.611 1.00 0.00 O ATOM 453 CB MET A 32 -13.686 0.139 10.822 1.00 0.00 C ATOM 454 CG MET A 32 -14.766 -0.623 11.592 1.00 0.00 C ATOM 455 SD MET A 32 -15.990 -1.261 10.461 1.00 0.00 S ATOM 456 CE MET A 32 -17.478 -0.891 11.374 1.00 0.00 C ATOM 0 H MET A 32 -11.068 0.430 9.607 1.00 0.00 H new ATOM 0 HA MET A 32 -12.582 -1.716 10.919 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.236 0.892 11.469 1.00 0.00 H new ATOM 0 HB3 MET A 32 -14.138 0.668 9.983 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.315 -1.442 12.152 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.240 0.037 12.319 1.00 0.00 H new ATOM 0 HE1 MET A 32 -18.346 -1.226 10.806 1.00 0.00 H new ATOM 0 HE2 MET A 32 -17.452 -1.405 12.335 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.546 0.184 11.539 1.00 0.00 H new ATOM 464 N ILE A 33 -12.652 -0.284 7.959 1.00 0.00 N ATOM 465 CA ILE A 33 -12.899 -0.524 6.547 1.00 0.00 C ATOM 466 C ILE A 33 -11.772 -1.388 5.977 1.00 0.00 C ATOM 467 O ILE A 33 -12.014 -2.258 5.141 1.00 0.00 O ATOM 468 CB ILE A 33 -13.096 0.799 5.804 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.261 1.593 6.397 1.00 0.00 C ATOM 470 CG2 ILE A 33 -13.270 0.562 4.302 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.595 0.891 6.134 1.00 0.00 C ATOM 0 H ILE A 33 -12.270 0.637 8.175 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.827 -1.079 6.412 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.197 1.401 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.115 1.713 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.281 2.593 5.964 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.408 1.518 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.383 0.067 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -14.143 -0.068 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.406 1.477 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.750 0.795 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.581 -0.100 6.589 1.00 0.00 H new ATOM 482 N ASN A 34 -10.565 -1.118 6.451 1.00 0.00 N ATOM 483 CA ASN A 34 -9.400 -1.859 5.999 1.00 0.00 C ATOM 484 C ASN A 34 -9.629 -3.354 6.235 1.00 0.00 C ATOM 485 O ASN A 34 -9.264 -4.181 5.400 1.00 0.00 O ATOM 486 CB ASN A 34 -8.148 -1.445 6.774 1.00 0.00 C ATOM 487 CG ASN A 34 -7.668 -0.058 6.340 1.00 0.00 C ATOM 488 OD1 ASN A 34 -7.577 0.255 5.164 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.366 0.750 7.351 1.00 0.00 N ATOM 0 H ASN A 34 -10.368 -0.396 7.144 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.255 -1.646 4.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.362 -1.442 7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.356 -2.176 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.035 1.697 7.166 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.465 0.423 8.312 1.00 0.00 H new ATOM 495 N ALA A 35 -10.233 -3.655 7.375 1.00 0.00 N ATOM 496 CA ALA A 35 -10.515 -5.036 7.731 1.00 0.00 C ATOM 497 C ALA A 35 -11.419 -5.658 6.664 1.00 0.00 C ATOM 498 O ALA A 35 -11.165 -6.768 6.201 1.00 0.00 O ATOM 499 CB ALA A 35 -11.139 -5.086 9.127 1.00 0.00 C ATOM 0 H ALA A 35 -10.535 -2.967 8.064 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.595 -5.620 7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.351 -6.121 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.445 -4.659 9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.066 -4.513 9.132 1.00 0.00 H new ATOM 505 N MET A 36 -12.455 -4.914 6.306 1.00 0.00 N ATOM 506 CA MET A 36 -13.398 -5.379 5.304 1.00 0.00 C ATOM 507 C MET A 36 -12.717 -5.544 3.944 1.00 0.00 C ATOM 508 O MET A 36 -12.880 -6.570 3.284 1.00 0.00 O ATOM 509 CB MET A 36 -14.548 -4.376 5.180 1.00 0.00 C ATOM 510 CG MET A 36 -15.014 -3.905 6.559 1.00 0.00 C ATOM 511 SD MET A 36 -16.755 -4.241 6.763 1.00 0.00 S ATOM 512 CE MET A 36 -17.145 -3.084 8.065 1.00 0.00 C ATOM 0 H MET A 36 -12.662 -3.993 6.692 1.00 0.00 H new ATOM 0 HA MET A 36 -13.782 -6.350 5.617 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.226 -3.519 4.588 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.381 -4.836 4.648 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.444 -4.412 7.337 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.826 -2.837 6.670 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.219 -2.899 8.077 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.837 -3.499 9.025 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.617 -2.147 7.889 1.00 0.00 H new ATOM 520 N LEU A 37 -11.968 -4.519 3.565 1.00 0.00 N ATOM 521 CA LEU A 37 -11.260 -4.537 2.296 1.00 0.00 C ATOM 522 C LEU A 37 -10.372 -5.783 2.230 1.00 0.00 C ATOM 523 O LEU A 37 -10.291 -6.436 1.191 1.00 0.00 O ATOM 524 CB LEU A 37 -10.498 -3.228 2.088 1.00 0.00 C ATOM 525 CG LEU A 37 -11.348 -2.007 1.730 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.625 -0.709 2.095 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.760 -2.038 0.258 1.00 0.00 C ATOM 0 H LEU A 37 -11.836 -3.670 4.115 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.965 -4.603 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.943 -3.005 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.764 -3.380 1.297 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.263 -2.043 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.251 0.143 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.425 -0.693 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.683 -0.651 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.363 -1.159 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.869 -2.039 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.342 -2.938 0.062 1.00 0.00 H new ATOM 538 N GLN A 38 -9.730 -6.072 3.352 1.00 0.00 N ATOM 539 CA GLN A 38 -8.852 -7.228 3.434 1.00 0.00 C ATOM 540 C GLN A 38 -9.640 -8.513 3.174 1.00 0.00 C ATOM 541 O GLN A 38 -9.195 -9.375 2.418 1.00 0.00 O ATOM 542 CB GLN A 38 -8.145 -7.282 4.790 1.00 0.00 C ATOM 543 CG GLN A 38 -6.638 -7.486 4.614 1.00 0.00 C ATOM 544 CD GLN A 38 -6.159 -8.720 5.383 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.598 -9.005 6.485 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.237 -9.432 4.742 1.00 0.00 N ATOM 0 H GLN A 38 -9.800 -5.527 4.211 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.086 -7.134 2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.329 -6.358 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.558 -8.094 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.404 -7.599 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.104 -6.603 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.914 -9.136 3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.853 -10.274 5.171 1.00 0.00 H new ATOM 553 N GLN A 39 -10.797 -8.600 3.815 1.00 0.00 N ATOM 554 CA GLN A 39 -11.650 -9.766 3.662 1.00 0.00 C ATOM 555 C GLN A 39 -12.076 -9.925 2.201 1.00 0.00 C ATOM 556 O GLN A 39 -11.949 -11.005 1.628 1.00 0.00 O ATOM 557 CB GLN A 39 -12.870 -9.677 4.582 1.00 0.00 C ATOM 558 CG GLN A 39 -13.118 -11.008 5.294 1.00 0.00 C ATOM 559 CD GLN A 39 -14.107 -10.836 6.449 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.096 -10.128 6.352 1.00 0.00 O ATOM 561 NE2 GLN A 39 -13.786 -11.520 7.543 1.00 0.00 N ATOM 0 H GLN A 39 -11.163 -7.882 4.441 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.080 -10.649 3.952 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.717 -8.889 5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.750 -9.402 4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.506 -11.738 4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.175 -11.403 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.943 -12.094 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.383 -11.471 8.369 1.00 0.00 H new ATOM 568 N LEU A 40 -12.572 -8.831 1.640 1.00 0.00 N ATOM 569 CA LEU A 40 -13.017 -8.836 0.257 1.00 0.00 C ATOM 570 C LEU A 40 -11.851 -9.238 -0.648 1.00 0.00 C ATOM 571 O LEU A 40 -12.027 -10.019 -1.583 1.00 0.00 O ATOM 572 CB LEU A 40 -13.642 -7.488 -0.108 1.00 0.00 C ATOM 573 CG LEU A 40 -14.859 -7.067 0.719 1.00 0.00 C ATOM 574 CD1 LEU A 40 -15.232 -5.609 0.442 1.00 0.00 C ATOM 575 CD2 LEU A 40 -16.037 -8.014 0.483 1.00 0.00 C ATOM 0 H LEU A 40 -12.675 -7.936 2.118 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.803 -9.577 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.877 -6.717 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.934 -7.517 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.596 -7.138 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -16.100 -5.335 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.393 -4.963 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.469 -5.489 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.888 -7.692 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.310 -7.999 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.753 -9.026 0.770 1.00 0.00 H new ATOM 586 N GLU A 41 -10.686 -8.689 -0.338 1.00 0.00 N ATOM 587 CA GLU A 41 -9.492 -8.980 -1.112 1.00 0.00 C ATOM 588 C GLU A 41 -9.215 -10.485 -1.112 1.00 0.00 C ATOM 589 O GLU A 41 -9.018 -11.083 -2.169 1.00 0.00 O ATOM 590 CB GLU A 41 -8.288 -8.201 -0.578 1.00 0.00 C ATOM 591 CG GLU A 41 -7.037 -8.488 -1.409 1.00 0.00 C ATOM 592 CD GLU A 41 -5.857 -8.866 -0.511 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.751 -8.366 0.618 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.031 -9.715 -1.024 1.00 0.00 O ATOM 0 H GLU A 41 -10.544 -8.044 0.439 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.662 -8.660 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.504 -7.133 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.108 -8.472 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.239 -9.298 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.781 -7.610 -2.002 1.00 0.00 H new ATOM 600 N SER A 42 -9.206 -11.054 0.084 1.00 0.00 N ATOM 601 CA SER A 42 -8.956 -12.477 0.235 1.00 0.00 C ATOM 602 C SER A 42 -9.925 -13.274 -0.641 1.00 0.00 C ATOM 603 O SER A 42 -9.516 -14.195 -1.345 1.00 0.00 O ATOM 604 CB SER A 42 -9.086 -12.907 1.697 1.00 0.00 C ATOM 605 OG SER A 42 -8.243 -14.015 2.005 1.00 0.00 O ATOM 0 H SER A 42 -9.368 -10.555 0.959 1.00 0.00 H new ATOM 0 HA SER A 42 -7.934 -12.681 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.833 -12.068 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.123 -13.171 1.906 1.00 0.00 H new ATOM 0 HG SER A 42 -8.354 -14.258 2.948 1.00 0.00 H new ATOM 610 N MET A 43 -11.191 -12.890 -0.568 1.00 0.00 N ATOM 611 CA MET A 43 -12.221 -13.558 -1.345 1.00 0.00 C ATOM 612 C MET A 43 -11.989 -13.363 -2.845 1.00 0.00 C ATOM 613 O MET A 43 -11.919 -14.333 -3.597 1.00 0.00 O ATOM 614 CB MET A 43 -13.593 -12.997 -0.963 1.00 0.00 C ATOM 615 CG MET A 43 -14.036 -13.519 0.405 1.00 0.00 C ATOM 616 SD MET A 43 -15.788 -13.863 0.388 1.00 0.00 S ATOM 617 CE MET A 43 -16.128 -13.824 2.140 1.00 0.00 C ATOM 0 H MET A 43 -11.527 -12.125 0.017 1.00 0.00 H new ATOM 0 HA MET A 43 -12.181 -14.625 -1.126 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.553 -11.908 -0.945 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.327 -13.276 -1.718 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.482 -14.424 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.809 -12.782 1.176 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.187 -14.021 2.310 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.532 -14.585 2.643 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.873 -12.842 2.538 1.00 0.00 H new ATOM 625 N GLY A 44 -11.878 -12.101 -3.235 1.00 0.00 N ATOM 626 CA GLY A 44 -11.656 -11.766 -4.632 1.00 0.00 C ATOM 627 C GLY A 44 -12.758 -10.844 -5.156 1.00 0.00 C ATOM 628 O GLY A 44 -13.221 -11.003 -6.283 1.00 0.00 O ATOM 0 H GLY A 44 -11.938 -11.299 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.687 -11.280 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.626 -12.678 -5.228 1.00 0.00 H new ATOM 632 N LYS A 45 -13.143 -9.897 -4.313 1.00 0.00 N ATOM 633 CA LYS A 45 -14.182 -8.948 -4.677 1.00 0.00 C ATOM 634 C LYS A 45 -13.536 -7.620 -5.075 1.00 0.00 C ATOM 635 O LYS A 45 -13.639 -7.195 -6.226 1.00 0.00 O ATOM 636 CB LYS A 45 -15.209 -8.819 -3.551 1.00 0.00 C ATOM 637 CG LYS A 45 -15.407 -10.156 -2.833 1.00 0.00 C ATOM 638 CD LYS A 45 -16.105 -11.169 -3.743 1.00 0.00 C ATOM 639 CE LYS A 45 -17.357 -11.736 -3.072 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.759 -13.007 -3.716 1.00 0.00 N ATOM 0 H LYS A 45 -12.754 -9.766 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.738 -9.306 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.878 -8.064 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.160 -8.477 -3.959 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.441 -10.550 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.999 -10.004 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.377 -10.691 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.418 -11.980 -3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.165 -11.903 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.171 -11.014 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.610 -13.379 -3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.962 -12.838 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.987 -13.699 -3.630 1.00 0.00 H new ATOM 649 N ALA A 46 -12.883 -7.000 -4.103 1.00 0.00 N ATOM 650 CA ALA A 46 -12.221 -5.729 -4.337 1.00 0.00 C ATOM 651 C ALA A 46 -10.771 -5.984 -4.758 1.00 0.00 C ATOM 652 O ALA A 46 -10.307 -7.122 -4.738 1.00 0.00 O ATOM 653 CB ALA A 46 -12.318 -4.863 -3.080 1.00 0.00 C ATOM 0 H ALA A 46 -12.799 -7.355 -3.151 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.709 -5.186 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.821 -3.909 -3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.366 -4.687 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.836 -5.375 -2.247 1.00 0.00 H new ATOM 659 N VAL A 47 -10.098 -4.906 -5.129 1.00 0.00 N ATOM 660 CA VAL A 47 -8.712 -4.998 -5.554 1.00 0.00 C ATOM 661 C VAL A 47 -7.910 -3.863 -4.914 1.00 0.00 C ATOM 662 O VAL A 47 -8.474 -2.841 -4.526 1.00 0.00 O ATOM 663 CB VAL A 47 -8.631 -4.999 -7.082 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.469 -6.134 -7.674 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.058 -3.646 -7.654 1.00 0.00 C ATOM 0 H VAL A 47 -10.487 -3.963 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.272 -5.937 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.592 -5.168 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.394 -6.112 -8.761 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.100 -7.090 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.511 -6.009 -7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.991 -3.673 -8.742 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.086 -3.434 -7.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.402 -2.865 -7.270 1.00 0.00 H new ATOM 675 N ARG A 48 -6.606 -4.080 -4.824 1.00 0.00 N ATOM 676 CA ARG A 48 -5.721 -3.087 -4.237 1.00 0.00 C ATOM 677 C ARG A 48 -5.238 -2.108 -5.309 1.00 0.00 C ATOM 678 O ARG A 48 -4.930 -2.510 -6.429 1.00 0.00 O ATOM 679 CB ARG A 48 -4.509 -3.750 -3.580 1.00 0.00 C ATOM 680 CG ARG A 48 -4.060 -2.969 -2.343 1.00 0.00 C ATOM 681 CD ARG A 48 -4.349 -3.753 -1.062 1.00 0.00 C ATOM 682 NE ARG A 48 -3.087 -4.032 -0.343 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.435 -3.128 0.418 1.00 0.00 C ATOM 684 NH1 ARG A 48 -2.922 -1.878 0.566 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.313 -3.484 1.016 1.00 0.00 N ATOM 0 H ARG A 48 -6.141 -4.928 -5.147 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.285 -2.549 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.758 -4.773 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.689 -3.807 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.993 -2.757 -2.410 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.574 -2.009 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.023 -3.184 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.853 -4.688 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.685 -4.965 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.789 -1.610 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.423 -1.201 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.951 -4.430 0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.808 -2.813 1.595 1.00 0.00 H new ATOM 695 N ILE A 49 -5.189 -0.840 -4.927 1.00 0.00 N ATOM 696 CA ILE A 49 -4.748 0.200 -5.840 1.00 0.00 C ATOM 697 C ILE A 49 -3.520 0.900 -5.257 1.00 0.00 C ATOM 698 O ILE A 49 -3.348 0.948 -4.039 1.00 0.00 O ATOM 699 CB ILE A 49 -5.902 1.152 -6.165 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.075 0.397 -6.795 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.427 2.310 -7.044 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.654 -0.276 -8.103 1.00 0.00 C ATOM 0 H ILE A 49 -5.448 -0.510 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.444 -0.234 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.262 1.584 -5.231 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.445 -0.355 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.897 1.087 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.266 2.971 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.650 2.869 -6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.025 1.917 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.506 -0.806 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.307 0.481 -8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.849 -0.984 -7.905 1.00 0.00 H new ATOM 713 N GLN A 50 -2.697 1.427 -6.152 1.00 0.00 N ATOM 714 CA GLN A 50 -1.490 2.123 -5.740 1.00 0.00 C ATOM 715 C GLN A 50 -1.573 3.602 -6.122 1.00 0.00 C ATOM 716 O GLN A 50 -2.371 3.982 -6.977 1.00 0.00 O ATOM 717 CB GLN A 50 -0.247 1.469 -6.347 1.00 0.00 C ATOM 718 CG GLN A 50 0.667 0.910 -5.255 1.00 0.00 C ATOM 719 CD GLN A 50 1.395 2.037 -4.519 1.00 0.00 C ATOM 720 OE1 GLN A 50 0.758 2.477 -3.438 1.00 0.00 O flip ATOM 721 NE2 GLN A 50 2.465 2.476 -4.907 1.00 0.00 N flip ATOM 0 H GLN A 50 -2.842 1.386 -7.161 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.405 2.053 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.546 0.667 -7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.298 2.200 -6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.078 0.328 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.395 0.230 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.900 2.092 -5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.925 3.227 -4.392 1.00 0.00 H new ATOM 728 N GLU A 51 -0.738 4.396 -5.468 1.00 0.00 N ATOM 729 CA GLU A 51 -0.707 5.825 -5.728 1.00 0.00 C ATOM 730 C GLU A 51 0.644 6.228 -6.324 1.00 0.00 C ATOM 731 O GLU A 51 1.575 5.425 -6.356 1.00 0.00 O ATOM 732 CB GLU A 51 -1.004 6.621 -4.455 1.00 0.00 C ATOM 733 CG GLU A 51 -2.475 7.037 -4.400 1.00 0.00 C ATOM 734 CD GLU A 51 -2.624 8.448 -3.828 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.889 8.606 -2.627 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.454 9.402 -4.679 1.00 0.00 O ATOM 0 H GLU A 51 -0.078 4.077 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.486 6.059 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.760 6.019 -3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.370 7.507 -4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.905 6.999 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.034 6.331 -3.786 1.00 0.00 H new ATOM 975 N ARG A 72 0.629 5.159 0.199 1.00 0.00 N ATOM 976 CA ARG A 72 -0.750 4.999 0.627 1.00 0.00 C ATOM 977 C ARG A 72 -1.556 4.264 -0.446 1.00 0.00 C ATOM 978 O ARG A 72 -2.134 4.891 -1.333 1.00 0.00 O ATOM 979 CB ARG A 72 -1.402 6.355 0.904 1.00 0.00 C ATOM 980 CG ARG A 72 -1.367 6.685 2.398 1.00 0.00 C ATOM 981 CD ARG A 72 -2.717 7.229 2.871 1.00 0.00 C ATOM 982 NE ARG A 72 -2.507 8.322 3.846 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.488 9.137 4.292 1.00 0.00 C ATOM 984 NH1 ARG A 72 -4.756 8.986 3.853 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.188 10.082 5.163 1.00 0.00 N ATOM 0 HA ARG A 72 -0.746 4.416 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.884 7.133 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.434 6.344 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.112 5.790 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.586 7.420 2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.290 7.595 2.019 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.301 6.430 3.328 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.563 8.469 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.979 8.253 3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.491 9.605 4.194 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.227 10.189 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.917 10.706 5.510 1.00 0.00 H new ATOM 995 N GLU A 73 -1.571 2.944 -0.328 1.00 0.00 N ATOM 996 CA GLU A 73 -2.296 2.117 -1.277 1.00 0.00 C ATOM 997 C GLU A 73 -3.789 2.454 -1.242 1.00 0.00 C ATOM 998 O GLU A 73 -4.366 2.621 -0.169 1.00 0.00 O ATOM 999 CB GLU A 73 -2.064 0.630 -0.998 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.594 0.257 -1.201 1.00 0.00 C ATOM 1001 CD GLU A 73 -0.107 -0.677 -0.092 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -0.515 -0.528 1.069 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.725 -1.588 -0.473 1.00 0.00 O ATOM 0 H GLU A 73 -1.093 2.427 0.410 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.918 2.329 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.364 0.397 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.690 0.030 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.468 -0.227 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.016 1.160 -1.214 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.370 2.544 -2.430 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.783 2.857 -2.548 1.00 0.00 C ATOM 1011 C TRP A 74 -6.551 1.541 -2.680 1.00 0.00 C ATOM 1012 O TRP A 74 -5.950 0.483 -2.854 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.036 3.815 -3.714 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.773 5.286 -3.381 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.539 5.830 -2.179 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.726 6.384 -4.316 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.346 7.193 -2.270 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.463 7.542 -3.610 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -5.900 6.401 -5.711 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.351 8.799 -4.215 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.784 7.665 -6.300 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.521 8.838 -5.604 1.00 0.00 C ATOM 0 H TRP A 74 -3.888 2.406 -3.318 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.137 3.379 -1.659 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.404 3.525 -4.553 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.070 3.707 -4.042 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.506 5.272 -1.255 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.153 7.828 -1.496 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.107 5.509 -6.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.145 9.691 -3.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -5.908 7.733 -7.371 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.448 9.777 -6.133 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.869 1.650 -2.590 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.726 0.481 -2.698 1.00 0.00 C ATOM 1034 C TRP A 75 -9.731 0.732 -3.823 1.00 0.00 C ATOM 1035 O TRP A 75 -10.112 1.874 -4.076 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.394 0.167 -1.357 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.426 -0.326 -0.279 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.793 0.398 0.654 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -8.004 -1.688 -0.061 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.997 -0.395 1.456 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -7.130 -1.705 1.007 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.350 -2.868 -0.742 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.529 -2.873 1.488 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.741 -4.028 -0.249 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.859 -4.062 0.824 1.00 0.00 C ATOM 0 H TRP A 75 -8.364 2.530 -2.444 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.141 -0.405 -2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.898 1.063 -0.995 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.163 -0.590 -1.514 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.893 1.468 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.418 -0.079 2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.032 -2.879 -1.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.848 -2.859 2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.973 -4.963 -0.737 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.430 -5.000 1.145 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.132 -0.353 -4.468 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.086 -0.265 -5.560 1.00 0.00 C ATOM 1057 C ALA A 76 -11.819 -1.600 -5.701 1.00 0.00 C ATOM 1058 O ALA A 76 -11.421 -2.596 -5.099 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.356 0.138 -6.844 1.00 0.00 C ATOM 0 H ALA A 76 -9.813 -1.298 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.834 0.501 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.071 0.204 -7.664 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.877 1.107 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.599 -0.610 -7.082 1.00 0.00 H new ATOM 1065 N LEU A 77 -12.876 -1.577 -6.500 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.668 -2.774 -6.727 1.00 0.00 C ATOM 1067 C LEU A 77 -13.275 -3.393 -8.071 1.00 0.00 C ATOM 1068 O LEU A 77 -12.689 -2.723 -8.920 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.161 -2.459 -6.608 1.00 0.00 C ATOM 1070 CG LEU A 77 -15.553 -1.472 -5.507 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -16.651 -0.522 -5.989 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.952 -2.210 -4.227 1.00 0.00 C ATOM 0 H LEU A 77 -13.202 -0.749 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.461 -3.519 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.506 -2.063 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.697 -3.393 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.682 -0.861 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -16.912 0.169 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.293 0.040 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -17.532 -1.098 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.226 -1.486 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.802 -2.861 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.112 -2.810 -3.876 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.612 -4.665 -8.220 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.302 -5.383 -9.446 1.00 0.00 C ATOM 1085 C ARG A 78 -14.398 -5.151 -10.488 1.00 0.00 C ATOM 1086 O ARG A 78 -15.568 -5.003 -10.141 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.164 -6.883 -9.186 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.519 -7.589 -10.380 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.017 -7.304 -10.441 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.565 -7.269 -11.851 1.00 0.00 N ATOM 1091 CZ ARG A 78 -9.300 -7.522 -12.246 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -8.348 -7.831 -11.341 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.007 -7.462 -13.532 1.00 0.00 N ATOM 0 H ARG A 78 -14.097 -5.218 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.352 -5.003 -9.822 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.561 -7.047 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.146 -7.314 -8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.686 -8.664 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.993 -7.256 -11.303 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.799 -6.352 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.470 -8.072 -9.894 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.253 -7.039 -12.568 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.582 -7.875 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.394 -8.021 -11.649 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.732 -7.227 -14.210 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.056 -7.650 -13.848 1.00 0.00 H new