USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 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 46 CYS SG : rot 88:sc= 1.01 USER MOD Set 1.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 SER OG : rot -161:sc= -1.71! USER MOD Set 2.2: A 17 THR OG1 : rot -60:sc= -0.258 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.31 (180deg=-1.61!) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.127 (180deg=-0.133) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.345 F(o=-3.4!,f=-0.35) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 10 SER OG : rot -79:sc= 0.869 USER MOD Single : A 20 MET CE :methyl 151:sc= -0.342 (180deg=-2.04!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.586 F(o=-2.6,f=-0.59) USER MOD Single : A 23 GLN : amide:sc= -2.13! C(o=-2.1!,f=-5.9!) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.595 F(o=-2.6,f=-0.6) USER MOD Single : A 27 ASN : amide:sc= -3.23 X(o=-3.2,f=-2.8!) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.498 K(o=-0.5,f=-5.7!) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot -25:sc= 0.0909 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.978 3.156 -21.077 1.00 0.00 N ATOM 2 CA MET A 1 20.931 2.644 -20.148 1.00 0.00 C ATOM 3 C MET A 1 20.995 3.377 -18.800 1.00 0.00 C ATOM 4 O MET A 1 20.196 3.137 -17.917 1.00 0.00 O ATOM 5 CB MET A 1 21.247 1.162 -19.979 1.00 0.00 C ATOM 6 CG MET A 1 20.222 0.506 -19.061 1.00 0.00 C ATOM 7 SD MET A 1 18.566 0.680 -19.772 1.00 0.00 S ATOM 8 CE MET A 1 18.884 -0.215 -21.312 1.00 0.00 C ATOM 0 H1 MET A 1 21.974 2.591 -21.950 1.00 0.00 H new ATOM 0 H2 MET A 1 21.781 4.151 -21.307 1.00 0.00 H new ATOM 0 H3 MET A 1 22.911 3.084 -20.623 1.00 0.00 H new ATOM 0 HA MET A 1 19.924 2.804 -20.534 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.243 0.669 -20.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.248 1.041 -19.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.462 -0.549 -18.927 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.255 0.968 -18.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.957 -0.662 -21.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.268 0.477 -22.062 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.619 -0.999 -21.132 1.00 0.00 H new ATOM 20 N ASP A 2 21.928 4.278 -18.634 1.00 0.00 N ATOM 21 CA ASP A 2 22.017 5.020 -17.343 1.00 0.00 C ATOM 22 C ASP A 2 21.783 6.520 -17.571 1.00 0.00 C ATOM 23 O ASP A 2 21.794 7.302 -16.642 1.00 0.00 O ATOM 24 CB ASP A 2 23.438 4.773 -16.837 1.00 0.00 C ATOM 25 CG ASP A 2 23.636 5.503 -15.507 1.00 0.00 C ATOM 26 OD1 ASP A 2 22.923 5.187 -14.569 1.00 0.00 O ATOM 27 OD2 ASP A 2 24.494 6.369 -15.452 1.00 0.00 O ATOM 0 H ASP A 2 22.628 4.530 -19.332 1.00 0.00 H new ATOM 0 HA ASP A 2 21.265 4.687 -16.628 1.00 0.00 H new ATOM 0 HB2 ASP A 2 23.609 3.704 -16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 2 24.164 5.126 -17.570 1.00 0.00 H new ATOM 32 N LYS A 3 21.562 6.926 -18.794 1.00 0.00 N ATOM 33 CA LYS A 3 21.321 8.369 -19.066 1.00 0.00 C ATOM 34 C LYS A 3 19.883 8.576 -19.542 1.00 0.00 C ATOM 35 O LYS A 3 19.284 9.604 -19.305 1.00 0.00 O ATOM 36 CB LYS A 3 22.318 8.745 -20.158 1.00 0.00 C ATOM 37 CG LYS A 3 22.011 7.969 -21.437 1.00 0.00 C ATOM 38 CD LYS A 3 22.989 8.401 -22.525 1.00 0.00 C ATOM 39 CE LYS A 3 24.417 8.049 -22.099 1.00 0.00 C ATOM 40 NZ LYS A 3 25.276 8.485 -23.235 1.00 0.00 N ATOM 0 H LYS A 3 21.538 6.319 -19.614 1.00 0.00 H new ATOM 0 HA LYS A 3 21.453 8.987 -18.178 1.00 0.00 H new ATOM 0 HB2 LYS A 3 22.269 9.816 -20.353 1.00 0.00 H new ATOM 0 HB3 LYS A 3 23.333 8.527 -19.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 22.097 6.897 -21.257 1.00 0.00 H new ATOM 0 HG3 LYS A 3 20.986 8.158 -21.755 1.00 0.00 H new ATOM 0 HD2 LYS A 3 22.746 7.905 -23.465 1.00 0.00 H new ATOM 0 HD3 LYS A 3 22.904 9.474 -22.700 1.00 0.00 H new ATOM 0 HE2 LYS A 3 24.692 8.562 -21.177 1.00 0.00 H new ATOM 0 HE3 LYS A 3 24.521 6.980 -21.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 26.271 8.277 -23.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 24.996 7.976 -24.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 25.161 9.508 -23.384 1.00 0.00 H new ATOM 54 N VAL A 4 19.320 7.601 -20.202 1.00 0.00 N ATOM 55 CA VAL A 4 17.917 7.743 -20.681 1.00 0.00 C ATOM 56 C VAL A 4 16.937 7.393 -19.554 1.00 0.00 C ATOM 57 O VAL A 4 15.759 7.674 -19.636 1.00 0.00 O ATOM 58 CB VAL A 4 17.787 6.754 -21.842 1.00 0.00 C ATOM 59 CG1 VAL A 4 18.075 5.336 -21.345 1.00 0.00 C ATOM 60 CG2 VAL A 4 16.369 6.816 -22.409 1.00 0.00 C ATOM 0 H VAL A 4 19.770 6.714 -20.430 1.00 0.00 H new ATOM 0 HA VAL A 4 17.688 8.762 -20.994 1.00 0.00 H new ATOM 0 HB VAL A 4 18.503 7.017 -22.621 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.982 4.634 -22.174 1.00 0.00 H new ATOM 0 HG12 VAL A 4 19.087 5.290 -20.943 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.362 5.072 -20.564 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.277 6.112 -23.236 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.654 6.556 -21.629 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.164 7.825 -22.767 1.00 0.00 H new ATOM 70 N GLN A 5 17.417 6.785 -18.501 1.00 0.00 N ATOM 71 CA GLN A 5 16.518 6.423 -17.374 1.00 0.00 C ATOM 72 C GLN A 5 16.268 7.644 -16.484 1.00 0.00 C ATOM 73 O GLN A 5 15.180 8.181 -16.441 1.00 0.00 O ATOM 74 CB GLN A 5 17.272 5.339 -16.603 1.00 0.00 C ATOM 75 CG GLN A 5 17.525 4.141 -17.522 1.00 0.00 C ATOM 76 CD GLN A 5 16.188 3.581 -18.010 1.00 0.00 C ATOM 77 OE1 GLN A 5 15.930 3.564 -19.290 1.00 0.00 O flip ATOM 78 NE2 GLN A 5 15.369 3.154 -17.220 1.00 0.00 N flip ATOM 0 H GLN A 5 18.395 6.524 -18.376 1.00 0.00 H new ATOM 0 HA GLN A 5 15.543 6.077 -17.715 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.218 5.733 -16.233 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.694 5.028 -15.733 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.136 4.444 -18.372 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.081 3.370 -16.988 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.570 3.167 -16.220 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.481 2.783 -17.557 1.00 0.00 H new ATOM 87 N TYR A 6 17.268 8.084 -15.771 1.00 0.00 N ATOM 88 CA TYR A 6 17.087 9.268 -14.882 1.00 0.00 C ATOM 89 C TYR A 6 16.636 10.486 -15.693 1.00 0.00 C ATOM 90 O TYR A 6 15.861 11.298 -15.228 1.00 0.00 O ATOM 91 CB TYR A 6 18.468 9.515 -14.259 1.00 0.00 C ATOM 92 CG TYR A 6 18.908 8.338 -13.395 1.00 0.00 C ATOM 93 CD1 TYR A 6 18.080 7.214 -13.204 1.00 0.00 C ATOM 94 CD2 TYR A 6 20.164 8.382 -12.773 1.00 0.00 C ATOM 95 CE1 TYR A 6 18.510 6.152 -12.400 1.00 0.00 C ATOM 96 CE2 TYR A 6 20.590 7.318 -11.969 1.00 0.00 C ATOM 97 CZ TYR A 6 19.764 6.204 -11.783 1.00 0.00 C ATOM 98 OH TYR A 6 20.187 5.158 -10.990 1.00 0.00 O ATOM 0 H TYR A 6 18.203 7.676 -15.765 1.00 0.00 H new ATOM 0 HA TYR A 6 16.322 9.097 -14.124 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.200 9.682 -15.049 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.439 10.421 -13.654 1.00 0.00 H new ATOM 0 HD1 TYR A 6 17.111 7.172 -13.679 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.805 9.240 -12.915 1.00 0.00 H new ATOM 0 HE1 TYR A 6 17.873 5.292 -12.256 1.00 0.00 H new ATOM 0 HE2 TYR A 6 21.558 7.357 -11.491 1.00 0.00 H new ATOM 0 HH TYR A 6 21.081 5.354 -10.639 1.00 0.00 H new ATOM 108 N LEU A 7 17.110 10.622 -16.904 1.00 0.00 N ATOM 109 CA LEU A 7 16.699 11.791 -17.731 1.00 0.00 C ATOM 110 C LEU A 7 15.176 11.837 -17.856 1.00 0.00 C ATOM 111 O LEU A 7 14.564 12.876 -17.719 1.00 0.00 O ATOM 112 CB LEU A 7 17.338 11.565 -19.093 1.00 0.00 C ATOM 113 CG LEU A 7 16.909 12.680 -20.051 1.00 0.00 C ATOM 114 CD1 LEU A 7 17.384 14.030 -19.507 1.00 0.00 C ATOM 115 CD2 LEU A 7 17.528 12.436 -21.428 1.00 0.00 C ATOM 0 H LEU A 7 17.760 9.977 -17.353 1.00 0.00 H new ATOM 0 HA LEU A 7 17.013 12.737 -17.289 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.424 11.550 -18.999 1.00 0.00 H new ATOM 0 HB3 LEU A 7 17.039 10.595 -19.490 1.00 0.00 H new ATOM 0 HG LEU A 7 15.823 12.686 -20.139 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.079 14.824 -20.188 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.941 14.203 -18.526 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.470 14.025 -19.419 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.223 13.230 -22.110 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.615 12.429 -21.342 1.00 0.00 H new ATOM 0 HD23 LEU A 7 17.188 11.475 -21.814 1.00 0.00 H new ATOM 127 N THR A 8 14.563 10.720 -18.120 1.00 0.00 N ATOM 128 CA THR A 8 13.081 10.704 -18.255 1.00 0.00 C ATOM 129 C THR A 8 12.418 10.932 -16.894 1.00 0.00 C ATOM 130 O THR A 8 11.374 11.547 -16.801 1.00 0.00 O ATOM 131 CB THR A 8 12.740 9.314 -18.782 1.00 0.00 C ATOM 132 OG1 THR A 8 13.424 9.091 -20.008 1.00 0.00 O ATOM 133 CG2 THR A 8 11.233 9.212 -19.009 1.00 0.00 C ATOM 0 H THR A 8 15.022 9.818 -18.248 1.00 0.00 H new ATOM 0 HA THR A 8 12.726 11.492 -18.919 1.00 0.00 H new ATOM 0 HB THR A 8 13.048 8.563 -18.055 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.270 8.630 -19.831 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.988 8.219 -19.386 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.711 9.382 -18.067 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.923 9.962 -19.736 1.00 0.00 H new ATOM 141 N ARG A 9 13.014 10.448 -15.835 1.00 0.00 N ATOM 142 CA ARG A 9 12.411 10.646 -14.484 1.00 0.00 C ATOM 143 C ARG A 9 12.089 12.123 -14.268 1.00 0.00 C ATOM 144 O ARG A 9 11.055 12.472 -13.735 1.00 0.00 O ATOM 145 CB ARG A 9 13.470 10.177 -13.495 1.00 0.00 C ATOM 146 CG ARG A 9 13.653 8.660 -13.602 1.00 0.00 C ATOM 147 CD ARG A 9 12.354 7.960 -13.192 1.00 0.00 C ATOM 148 NE ARG A 9 12.660 6.500 -13.230 1.00 0.00 N ATOM 149 CZ ARG A 9 13.007 5.926 -14.350 1.00 0.00 C ATOM 150 NH1 ARG A 9 12.135 5.793 -15.313 1.00 0.00 N ATOM 151 NH2 ARG A 9 14.223 5.481 -14.507 1.00 0.00 N ATOM 0 H ARG A 9 13.890 9.926 -15.847 1.00 0.00 H new ATOM 0 HA ARG A 9 11.479 10.094 -14.364 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.416 10.681 -13.696 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.176 10.445 -12.480 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.920 8.386 -14.623 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.472 8.335 -12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.039 8.269 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.542 8.209 -13.875 1.00 0.00 H new ATOM 0 HE ARG A 9 12.598 5.947 -12.375 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.183 6.138 -15.190 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.406 5.345 -16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.904 5.581 -13.754 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.493 5.033 -15.383 1.00 0.00 H new ATOM 165 N SER A 10 12.962 12.993 -14.690 1.00 0.00 N ATOM 166 CA SER A 10 12.695 14.444 -14.519 1.00 0.00 C ATOM 167 C SER A 10 11.475 14.841 -15.354 1.00 0.00 C ATOM 168 O SER A 10 10.842 15.849 -15.104 1.00 0.00 O ATOM 169 CB SER A 10 13.952 15.149 -15.027 1.00 0.00 C ATOM 170 OG SER A 10 14.136 14.850 -16.404 1.00 0.00 O ATOM 0 H SER A 10 13.846 12.762 -15.144 1.00 0.00 H new ATOM 0 HA SER A 10 12.481 14.711 -13.484 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.860 16.226 -14.886 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.821 14.825 -14.454 1.00 0.00 H new ATOM 0 HG SER A 10 14.538 13.961 -16.495 1.00 0.00 H new ATOM 176 N ALA A 11 11.137 14.055 -16.346 1.00 0.00 N ATOM 177 CA ALA A 11 9.959 14.391 -17.189 1.00 0.00 C ATOM 178 C ALA A 11 8.672 13.928 -16.503 1.00 0.00 C ATOM 179 O ALA A 11 7.595 14.416 -16.787 1.00 0.00 O ATOM 180 CB ALA A 11 10.175 13.628 -18.496 1.00 0.00 C ATOM 0 H ALA A 11 11.627 13.199 -16.604 1.00 0.00 H new ATOM 0 HA ALA A 11 9.863 15.464 -17.356 1.00 0.00 H new ATOM 0 HB1 ALA A 11 9.344 13.825 -19.174 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.106 13.955 -18.959 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.229 12.559 -18.289 1.00 0.00 H new ATOM 186 N ILE A 12 8.775 12.988 -15.604 1.00 0.00 N ATOM 187 CA ILE A 12 7.568 12.489 -14.898 1.00 0.00 C ATOM 188 C ILE A 12 7.584 12.941 -13.436 1.00 0.00 C ATOM 189 O ILE A 12 6.555 13.066 -12.802 1.00 0.00 O ATOM 190 CB ILE A 12 7.661 10.973 -14.989 1.00 0.00 C ATOM 191 CG1 ILE A 12 7.692 10.553 -16.460 1.00 0.00 C ATOM 192 CG2 ILE A 12 6.448 10.344 -14.301 1.00 0.00 C ATOM 193 CD1 ILE A 12 7.810 9.031 -16.554 1.00 0.00 C ATOM 0 H ILE A 12 9.651 12.543 -15.329 1.00 0.00 H new ATOM 0 HA ILE A 12 6.645 12.870 -15.336 1.00 0.00 H new ATOM 0 HB ILE A 12 8.572 10.634 -14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 12 6.786 10.890 -16.964 1.00 0.00 H new ATOM 0 HG13 ILE A 12 8.534 11.026 -16.966 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.515 9.258 -14.366 1.00 0.00 H new ATOM 0 HG22 ILE A 12 6.428 10.644 -13.253 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.535 10.681 -14.792 1.00 0.00 H new ATOM 0 HD11 ILE A 12 7.832 8.732 -17.602 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.728 8.706 -16.065 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.954 8.569 -16.063 1.00 0.00 H new ATOM 205 N ARG A 13 8.747 13.186 -12.900 1.00 0.00 N ATOM 206 CA ARG A 13 8.841 13.631 -11.481 1.00 0.00 C ATOM 207 C ARG A 13 7.950 14.854 -11.263 1.00 0.00 C ATOM 208 O ARG A 13 7.292 14.988 -10.249 1.00 0.00 O ATOM 209 CB ARG A 13 10.316 13.990 -11.287 1.00 0.00 C ATOM 210 CG ARG A 13 10.592 14.304 -9.814 1.00 0.00 C ATOM 211 CD ARG A 13 10.363 13.053 -8.973 1.00 0.00 C ATOM 212 NE ARG A 13 10.683 13.452 -7.572 1.00 0.00 N ATOM 213 CZ ARG A 13 11.892 13.838 -7.259 1.00 0.00 C ATOM 214 NH1 ARG A 13 12.782 12.959 -6.884 1.00 0.00 N ATOM 215 NH2 ARG A 13 12.207 15.104 -7.314 1.00 0.00 N ATOM 0 H ARG A 13 9.640 13.097 -13.385 1.00 0.00 H new ATOM 0 HA ARG A 13 8.512 12.869 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.946 13.163 -11.615 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.573 14.851 -11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.617 14.654 -9.692 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.939 15.108 -9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.333 12.707 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.003 12.235 -9.304 1.00 0.00 H new ATOM 0 HE ARG A 13 9.957 13.424 -6.856 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.534 11.971 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.725 13.261 -6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.510 15.791 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.150 15.406 -7.070 1.00 0.00 H new ATOM 229 N ARG A 14 7.927 15.749 -12.210 1.00 0.00 N ATOM 230 CA ARG A 14 7.089 16.966 -12.078 1.00 0.00 C ATOM 231 C ARG A 14 5.635 16.591 -11.763 1.00 0.00 C ATOM 232 O ARG A 14 4.919 17.335 -11.125 1.00 0.00 O ATOM 233 CB ARG A 14 7.183 17.629 -13.449 1.00 0.00 C ATOM 234 CG ARG A 14 6.530 18.998 -13.383 1.00 0.00 C ATOM 235 CD ARG A 14 6.654 19.695 -14.742 1.00 0.00 C ATOM 236 NE ARG A 14 5.953 21.002 -14.578 1.00 0.00 N ATOM 237 CZ ARG A 14 4.674 21.033 -14.315 1.00 0.00 C ATOM 238 NH1 ARG A 14 3.877 20.145 -14.845 1.00 0.00 N ATOM 239 NH2 ARG A 14 4.192 21.954 -13.526 1.00 0.00 N ATOM 0 H ARG A 14 8.460 15.686 -13.078 1.00 0.00 H new ATOM 0 HA ARG A 14 7.421 17.617 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.226 17.724 -13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.689 17.012 -14.200 1.00 0.00 H new ATOM 0 HG2 ARG A 14 5.480 18.898 -13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.005 19.601 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.699 19.840 -15.016 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.197 19.100 -15.533 1.00 0.00 H new ATOM 0 HE ARG A 14 6.474 21.874 -14.672 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.253 19.427 -15.464 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.878 20.169 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.814 22.650 -13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.193 21.978 -13.321 1.00 0.00 H new ATOM 253 N ALA A 15 5.190 15.451 -12.219 1.00 0.00 N ATOM 254 CA ALA A 15 3.784 15.045 -11.960 1.00 0.00 C ATOM 255 C ALA A 15 3.705 14.007 -10.834 1.00 0.00 C ATOM 256 O ALA A 15 2.766 13.983 -10.065 1.00 0.00 O ATOM 257 CB ALA A 15 3.301 14.441 -13.278 1.00 0.00 C ATOM 0 H ALA A 15 5.742 14.785 -12.760 1.00 0.00 H new ATOM 0 HA ALA A 15 3.173 15.889 -11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.267 14.115 -13.171 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.365 15.190 -14.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.926 13.587 -13.537 1.00 0.00 H new ATOM 263 N SER A 16 4.679 13.140 -10.736 1.00 0.00 N ATOM 264 CA SER A 16 4.646 12.100 -9.667 1.00 0.00 C ATOM 265 C SER A 16 5.019 12.694 -8.309 1.00 0.00 C ATOM 266 O SER A 16 5.041 12.007 -7.306 1.00 0.00 O ATOM 267 CB SER A 16 5.684 11.076 -10.093 1.00 0.00 C ATOM 268 OG SER A 16 6.979 11.645 -9.974 1.00 0.00 O ATOM 0 H SER A 16 5.494 13.108 -11.349 1.00 0.00 H new ATOM 0 HA SER A 16 3.651 11.669 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.608 10.183 -9.472 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.504 10.765 -11.122 1.00 0.00 H new ATOM 0 HG SER A 16 7.614 11.129 -10.514 1.00 0.00 H new ATOM 274 N THR A 17 5.305 13.959 -8.264 1.00 0.00 N ATOM 275 CA THR A 17 5.671 14.596 -6.973 1.00 0.00 C ATOM 276 C THR A 17 4.755 15.798 -6.708 1.00 0.00 C ATOM 277 O THR A 17 5.014 16.610 -5.841 1.00 0.00 O ATOM 278 CB THR A 17 7.121 15.052 -7.147 1.00 0.00 C ATOM 279 OG1 THR A 17 7.931 13.931 -7.465 1.00 0.00 O ATOM 280 CG2 THR A 17 7.620 15.690 -5.849 1.00 0.00 C ATOM 0 H THR A 17 5.301 14.584 -9.070 1.00 0.00 H new ATOM 0 HA THR A 17 5.562 13.916 -6.128 1.00 0.00 H new ATOM 0 HB THR A 17 7.176 15.784 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.880 13.274 -6.739 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.653 16.014 -5.976 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.998 16.551 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.565 14.961 -5.041 1.00 0.00 H new ATOM 288 N ILE A 18 3.679 15.905 -7.440 1.00 0.00 N ATOM 289 CA ILE A 18 2.736 17.031 -7.229 1.00 0.00 C ATOM 290 C ILE A 18 1.328 16.497 -6.943 1.00 0.00 C ATOM 291 O ILE A 18 0.518 17.161 -6.328 1.00 0.00 O ATOM 292 CB ILE A 18 2.762 17.824 -8.527 1.00 0.00 C ATOM 293 CG1 ILE A 18 4.177 18.355 -8.772 1.00 0.00 C ATOM 294 CG2 ILE A 18 1.786 18.997 -8.429 1.00 0.00 C ATOM 295 CD1 ILE A 18 4.582 19.272 -7.616 1.00 0.00 C ATOM 0 H ILE A 18 3.415 15.254 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 18 3.016 17.649 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 18 2.469 17.177 -9.354 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.879 17.526 -8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.214 18.901 -9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.805 19.565 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.779 18.619 -8.255 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.078 19.645 -7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.589 19.651 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.885 20.108 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.560 18.711 -6.682 1.00 0.00 H new ATOM 307 N GLU A 19 1.028 15.299 -7.381 1.00 0.00 N ATOM 308 CA GLU A 19 -0.319 14.731 -7.130 1.00 0.00 C ATOM 309 C GLU A 19 -0.219 13.452 -6.288 1.00 0.00 C ATOM 310 O GLU A 19 -1.202 12.962 -5.768 1.00 0.00 O ATOM 311 CB GLU A 19 -0.881 14.424 -8.513 1.00 0.00 C ATOM 312 CG GLU A 19 -2.271 13.794 -8.383 1.00 0.00 C ATOM 313 CD GLU A 19 -3.251 14.800 -7.767 1.00 0.00 C ATOM 314 OE1 GLU A 19 -2.847 15.924 -7.523 1.00 0.00 O ATOM 315 OE2 GLU A 19 -4.395 14.429 -7.560 1.00 0.00 O ATOM 0 H GLU A 19 1.663 14.694 -7.902 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.956 15.418 -6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.941 15.339 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.213 13.746 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.629 13.479 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.217 12.900 -7.761 1.00 0.00 H new ATOM 322 N MET A 20 0.962 12.908 -6.148 1.00 0.00 N ATOM 323 CA MET A 20 1.125 11.666 -5.341 1.00 0.00 C ATOM 324 C MET A 20 0.612 11.846 -3.899 1.00 0.00 C ATOM 325 O MET A 20 -0.044 10.965 -3.381 1.00 0.00 O ATOM 326 CB MET A 20 2.627 11.379 -5.344 1.00 0.00 C ATOM 327 CG MET A 20 2.904 10.120 -4.521 1.00 0.00 C ATOM 328 SD MET A 20 4.681 9.774 -4.526 1.00 0.00 S ATOM 329 CE MET A 20 5.213 11.327 -3.764 1.00 0.00 C ATOM 0 H MET A 20 1.821 13.272 -6.559 1.00 0.00 H new ATOM 0 HA MET A 20 0.544 10.846 -5.763 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.981 11.244 -6.366 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.171 12.226 -4.927 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.552 10.256 -3.498 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.357 9.274 -4.936 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.137 11.162 -3.209 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.384 12.073 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.439 11.682 -3.083 1.00 0.00 H new ATOM 339 N PRO A 21 0.924 12.964 -3.277 1.00 0.00 N ATOM 340 CA PRO A 21 0.469 13.183 -1.884 1.00 0.00 C ATOM 341 C PRO A 21 -1.034 13.464 -1.847 1.00 0.00 C ATOM 342 O PRO A 21 -1.740 12.993 -0.979 1.00 0.00 O ATOM 343 CB PRO A 21 1.276 14.394 -1.421 1.00 0.00 C ATOM 344 CG PRO A 21 1.642 15.121 -2.669 1.00 0.00 C ATOM 345 CD PRO A 21 1.700 14.110 -3.785 1.00 0.00 C ATOM 0 HA PRO A 21 0.623 12.315 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.689 15.026 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.165 14.087 -0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.907 15.895 -2.891 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.604 15.619 -2.554 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.269 14.507 -4.704 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.728 13.826 -4.012 1.00 0.00 H new ATOM 353 N GLN A 22 -1.531 14.221 -2.786 1.00 0.00 N ATOM 354 CA GLN A 22 -2.991 14.517 -2.803 1.00 0.00 C ATOM 355 C GLN A 22 -3.775 13.249 -3.149 1.00 0.00 C ATOM 356 O GLN A 22 -4.866 13.025 -2.663 1.00 0.00 O ATOM 357 CB GLN A 22 -3.168 15.571 -3.887 1.00 0.00 C ATOM 358 CG GLN A 22 -2.362 16.822 -3.526 1.00 0.00 C ATOM 359 CD GLN A 22 -2.929 17.495 -2.265 1.00 0.00 C ATOM 360 OE1 GLN A 22 -4.050 17.078 -1.731 1.00 0.00 O flip ATOM 361 NE2 GLN A 22 -2.350 18.443 -1.769 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.991 14.646 -3.540 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.357 14.866 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -2.836 15.178 -4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.223 15.824 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.319 16.552 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.382 17.525 -4.359 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.476 18.777 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.738 18.904 -0.946 1.00 0.00 H new ATOM 370 N GLN A 23 -3.219 12.412 -3.981 1.00 0.00 N ATOM 371 CA GLN A 23 -3.916 11.157 -4.359 1.00 0.00 C ATOM 372 C GLN A 23 -3.670 10.082 -3.300 1.00 0.00 C ATOM 373 O GLN A 23 -4.567 9.358 -2.917 1.00 0.00 O ATOM 374 CB GLN A 23 -3.310 10.754 -5.695 1.00 0.00 C ATOM 375 CG GLN A 23 -3.917 9.430 -6.174 1.00 0.00 C ATOM 376 CD GLN A 23 -5.421 9.596 -6.408 1.00 0.00 C ATOM 377 OE1 GLN A 23 -6.167 9.883 -5.494 1.00 0.00 O ATOM 378 NE2 GLN A 23 -5.903 9.424 -7.609 1.00 0.00 N ATOM 0 H GLN A 23 -2.306 12.547 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.996 11.286 -4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.491 11.534 -6.435 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.229 10.652 -5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.431 9.110 -7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.740 8.650 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.279 9.183 -8.379 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.903 9.531 -7.777 1.00 0.00 H new ATOM 387 N ALA A 24 -2.461 9.979 -2.812 1.00 0.00 N ATOM 388 CA ALA A 24 -2.168 8.957 -1.766 1.00 0.00 C ATOM 389 C ALA A 24 -3.158 9.114 -0.611 1.00 0.00 C ATOM 390 O ALA A 24 -3.669 8.149 -0.079 1.00 0.00 O ATOM 391 CB ALA A 24 -0.744 9.254 -1.300 1.00 0.00 C ATOM 0 H ALA A 24 -1.668 10.556 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.260 7.937 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.458 8.540 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.060 9.169 -2.144 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.697 10.265 -0.895 1.00 0.00 H new ATOM 397 N ARG A 25 -3.445 10.330 -0.234 1.00 0.00 N ATOM 398 CA ARG A 25 -4.416 10.553 0.870 1.00 0.00 C ATOM 399 C ARG A 25 -5.740 9.876 0.523 1.00 0.00 C ATOM 400 O ARG A 25 -6.360 9.230 1.345 1.00 0.00 O ATOM 401 CB ARG A 25 -4.593 12.063 0.942 1.00 0.00 C ATOM 402 CG ARG A 25 -5.597 12.415 2.043 1.00 0.00 C ATOM 403 CD ARG A 25 -5.075 11.921 3.394 1.00 0.00 C ATOM 404 NE ARG A 25 -6.107 12.349 4.379 1.00 0.00 N ATOM 405 CZ ARG A 25 -5.952 12.079 5.647 1.00 0.00 C ATOM 406 NH1 ARG A 25 -5.806 10.843 6.038 1.00 0.00 N ATOM 407 NH2 ARG A 25 -5.944 13.047 6.522 1.00 0.00 N ATOM 0 H ARG A 25 -3.049 11.176 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.076 10.142 1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.635 12.542 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.943 12.444 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.753 13.493 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.563 11.959 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.949 10.838 3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.103 12.356 3.625 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.935 12.853 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.813 10.087 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.685 10.632 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.059 14.013 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.823 12.838 7.513 1.00 0.00 H new ATOM 421 N GLN A 26 -6.169 10.016 -0.701 1.00 0.00 N ATOM 422 CA GLN A 26 -7.440 9.382 -1.126 1.00 0.00 C ATOM 423 C GLN A 26 -7.251 7.871 -1.242 1.00 0.00 C ATOM 424 O GLN A 26 -8.020 7.095 -0.711 1.00 0.00 O ATOM 425 CB GLN A 26 -7.742 9.996 -2.489 1.00 0.00 C ATOM 426 CG GLN A 26 -7.856 11.515 -2.349 1.00 0.00 C ATOM 427 CD GLN A 26 -9.055 11.897 -1.465 1.00 0.00 C ATOM 428 OE1 GLN A 26 -9.923 10.991 -1.087 1.00 0.00 O flip ATOM 429 NE2 GLN A 26 -9.223 13.055 -1.137 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.687 10.547 -1.427 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.252 9.547 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.952 9.743 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.670 9.586 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.939 11.914 -1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.967 11.968 -3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.554 13.769 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.033 13.313 -0.573 1.00 0.00 H new ATOM 438 N ASN A 27 -6.226 7.452 -1.931 1.00 0.00 N ATOM 439 CA ASN A 27 -5.974 5.992 -2.081 1.00 0.00 C ATOM 440 C ASN A 27 -5.723 5.350 -0.715 1.00 0.00 C ATOM 441 O ASN A 27 -5.835 4.152 -0.553 1.00 0.00 O ATOM 442 CB ASN A 27 -4.731 5.893 -2.956 1.00 0.00 C ATOM 443 CG ASN A 27 -4.991 6.489 -4.351 1.00 0.00 C ATOM 444 OD1 ASN A 27 -4.094 6.530 -5.170 1.00 0.00 O ATOM 445 ND2 ASN A 27 -6.177 6.942 -4.676 1.00 0.00 N ATOM 0 H ASN A 27 -5.551 8.059 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.825 5.472 -2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.904 6.419 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.432 4.849 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.339 7.324 -5.608 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.938 6.913 -3.997 1.00 0.00 H new ATOM 452 N LEU A 28 -5.384 6.136 0.272 1.00 0.00 N ATOM 453 CA LEU A 28 -5.131 5.560 1.623 1.00 0.00 C ATOM 454 C LEU A 28 -6.334 4.735 2.077 1.00 0.00 C ATOM 455 O LEU A 28 -6.191 3.682 2.667 1.00 0.00 O ATOM 456 CB LEU A 28 -4.931 6.760 2.536 1.00 0.00 C ATOM 457 CG LEU A 28 -4.684 6.278 3.968 1.00 0.00 C ATOM 458 CD1 LEU A 28 -3.439 5.387 3.999 1.00 0.00 C ATOM 459 CD2 LEU A 28 -4.472 7.486 4.883 1.00 0.00 C ATOM 0 H LEU A 28 -5.272 7.147 0.201 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.267 4.895 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.086 7.356 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.809 7.404 2.505 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.546 5.708 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.263 5.044 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.591 4.527 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.576 5.956 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.296 7.144 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.610 8.057 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.359 8.119 4.861 1.00 0.00 H new ATOM 471 N GLN A 29 -7.521 5.201 1.801 1.00 0.00 N ATOM 472 CA GLN A 29 -8.731 4.441 2.212 1.00 0.00 C ATOM 473 C GLN A 29 -8.787 3.104 1.470 1.00 0.00 C ATOM 474 O GLN A 29 -9.181 2.094 2.016 1.00 0.00 O ATOM 475 CB GLN A 29 -9.908 5.322 1.823 1.00 0.00 C ATOM 476 CG GLN A 29 -9.816 6.659 2.565 1.00 0.00 C ATOM 477 CD GLN A 29 -11.000 7.572 2.197 1.00 0.00 C ATOM 478 OE1 GLN A 29 -11.926 7.161 1.365 1.00 0.00 O flip ATOM 479 NE2 GLN A 29 -11.084 8.683 2.680 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.703 6.075 1.309 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.734 4.214 3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.908 5.491 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.846 4.823 2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.807 6.483 3.641 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.878 7.155 2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.369 9.013 3.328 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.870 9.287 2.437 1.00 0.00 H new ATOM 488 N ASN A 30 -8.388 3.093 0.227 1.00 0.00 N ATOM 489 CA ASN A 30 -8.412 1.826 -0.553 1.00 0.00 C ATOM 490 C ASN A 30 -7.524 0.777 0.119 1.00 0.00 C ATOM 491 O ASN A 30 -7.810 -0.404 0.090 1.00 0.00 O ATOM 492 CB ASN A 30 -7.860 2.195 -1.923 1.00 0.00 C ATOM 493 CG ASN A 30 -8.732 3.282 -2.554 1.00 0.00 C ATOM 494 OD1 ASN A 30 -8.880 4.355 -2.002 1.00 0.00 O ATOM 495 ND2 ASN A 30 -9.319 3.050 -3.695 1.00 0.00 N ATOM 0 H ASN A 30 -8.046 3.909 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.413 1.400 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.833 2.548 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.837 1.315 -2.566 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.902 3.769 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.195 2.150 -4.159 1.00 0.00 H new ATOM 502 N LEU A 31 -6.450 1.201 0.725 1.00 0.00 N ATOM 503 CA LEU A 31 -5.541 0.234 1.400 1.00 0.00 C ATOM 504 C LEU A 31 -6.293 -0.533 2.490 1.00 0.00 C ATOM 505 O LEU A 31 -5.953 -1.653 2.821 1.00 0.00 O ATOM 506 CB LEU A 31 -4.443 1.091 2.011 1.00 0.00 C ATOM 507 CG LEU A 31 -3.435 0.196 2.739 1.00 0.00 C ATOM 508 CD1 LEU A 31 -2.805 -0.778 1.742 1.00 0.00 C ATOM 509 CD2 LEU A 31 -2.342 1.065 3.364 1.00 0.00 C ATOM 0 H LEU A 31 -6.162 2.178 0.782 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.144 -0.510 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.939 1.664 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.875 1.810 2.707 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.945 -0.365 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.088 -1.415 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.584 -1.396 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.294 -0.218 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.624 0.430 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.831 1.626 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.791 1.759 4.074 1.00 0.00 H new ATOM 521 N PHE A 32 -7.314 0.056 3.049 1.00 0.00 N ATOM 522 CA PHE A 32 -8.085 -0.637 4.108 1.00 0.00 C ATOM 523 C PHE A 32 -9.098 -1.600 3.486 1.00 0.00 C ATOM 524 O PHE A 32 -9.396 -2.643 4.034 1.00 0.00 O ATOM 525 CB PHE A 32 -8.802 0.467 4.891 1.00 0.00 C ATOM 526 CG PHE A 32 -7.810 1.251 5.728 1.00 0.00 C ATOM 527 CD1 PHE A 32 -6.781 1.986 5.120 1.00 0.00 C ATOM 528 CD2 PHE A 32 -7.925 1.237 7.123 1.00 0.00 C ATOM 529 CE1 PHE A 32 -5.872 2.702 5.909 1.00 0.00 C ATOM 530 CE2 PHE A 32 -7.016 1.954 7.909 1.00 0.00 C ATOM 531 CZ PHE A 32 -5.991 2.686 7.303 1.00 0.00 C ATOM 0 H PHE A 32 -7.645 0.992 2.814 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.438 -1.230 4.755 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.315 1.137 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.564 0.029 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.690 2.000 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.716 0.672 7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.079 3.267 5.441 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.107 1.942 8.985 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.291 3.239 7.911 1.00 0.00 H new ATOM 541 N ILE A 33 -9.630 -1.260 2.343 1.00 0.00 N ATOM 542 CA ILE A 33 -10.624 -2.160 1.689 1.00 0.00 C ATOM 543 C ILE A 33 -9.912 -3.308 0.967 1.00 0.00 C ATOM 544 O ILE A 33 -10.336 -4.444 1.021 1.00 0.00 O ATOM 545 CB ILE A 33 -11.359 -1.275 0.692 1.00 0.00 C ATOM 546 CG1 ILE A 33 -12.055 -0.131 1.435 1.00 0.00 C ATOM 547 CG2 ILE A 33 -12.402 -2.105 -0.058 1.00 0.00 C ATOM 548 CD1 ILE A 33 -12.798 0.750 0.430 1.00 0.00 C ATOM 0 H ILE A 33 -9.420 -0.401 1.835 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.303 -2.616 2.410 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.644 -0.862 -0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -12.753 -0.532 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.322 0.461 1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.928 -1.470 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.907 -2.917 -0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.116 -2.520 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -13.294 1.565 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -12.088 1.161 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -13.542 0.153 -0.097 1.00 0.00 H new ATOM 560 N ASN A 34 -8.836 -3.017 0.289 1.00 0.00 N ATOM 561 CA ASN A 34 -8.097 -4.088 -0.439 1.00 0.00 C ATOM 562 C ASN A 34 -7.533 -5.114 0.547 1.00 0.00 C ATOM 563 O ASN A 34 -7.682 -6.306 0.368 1.00 0.00 O ATOM 564 CB ASN A 34 -6.961 -3.363 -1.163 1.00 0.00 C ATOM 565 CG ASN A 34 -6.147 -4.372 -1.975 1.00 0.00 C ATOM 566 OD1 ASN A 34 -6.672 -5.026 -2.854 1.00 0.00 O ATOM 567 ND2 ASN A 34 -4.877 -4.524 -1.719 1.00 0.00 N ATOM 0 H ASN A 34 -8.436 -2.082 0.207 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.741 -4.634 -1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.367 -2.594 -1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.319 -2.859 -0.441 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.325 -5.192 -2.257 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.436 -3.975 -0.981 1.00 0.00 H new ATOM 574 N PHE A 35 -6.884 -4.661 1.585 1.00 0.00 N ATOM 575 CA PHE A 35 -6.307 -5.611 2.578 1.00 0.00 C ATOM 576 C PHE A 35 -7.421 -6.477 3.174 1.00 0.00 C ATOM 577 O PHE A 35 -7.319 -7.687 3.237 1.00 0.00 O ATOM 578 CB PHE A 35 -5.680 -4.716 3.655 1.00 0.00 C ATOM 579 CG PHE A 35 -4.943 -5.535 4.706 1.00 0.00 C ATOM 580 CD1 PHE A 35 -4.807 -6.931 4.585 1.00 0.00 C ATOM 581 CD2 PHE A 35 -4.382 -4.880 5.809 1.00 0.00 C ATOM 582 CE1 PHE A 35 -4.119 -7.655 5.566 1.00 0.00 C ATOM 583 CE2 PHE A 35 -3.694 -5.607 6.788 1.00 0.00 C ATOM 584 CZ PHE A 35 -3.564 -6.995 6.665 1.00 0.00 C ATOM 0 H PHE A 35 -6.728 -3.674 1.788 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.576 -6.290 2.138 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.988 -4.015 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.459 -4.124 4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.233 -7.443 3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.480 -3.809 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.017 -8.726 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.264 -5.097 7.637 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.034 -7.556 7.420 1.00 0.00 H new ATOM 594 N CYS A 36 -8.489 -5.870 3.608 1.00 0.00 N ATOM 595 CA CYS A 36 -9.605 -6.665 4.191 1.00 0.00 C ATOM 596 C CYS A 36 -10.107 -7.681 3.162 1.00 0.00 C ATOM 597 O CYS A 36 -10.649 -8.715 3.504 1.00 0.00 O ATOM 598 CB CYS A 36 -10.692 -5.642 4.524 1.00 0.00 C ATOM 599 SG CYS A 36 -12.119 -6.489 5.245 1.00 0.00 S ATOM 0 H CYS A 36 -8.638 -4.861 3.585 1.00 0.00 H new ATOM 0 HA CYS A 36 -9.303 -7.228 5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.306 -4.900 5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.991 -5.107 3.623 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.132 -7.728 4.852 1.00 0.00 H new ATOM 605 N LEU A 37 -9.928 -7.390 1.902 1.00 0.00 N ATOM 606 CA LEU A 37 -10.385 -8.325 0.841 1.00 0.00 C ATOM 607 C LEU A 37 -9.358 -9.448 0.661 1.00 0.00 C ATOM 608 O LEU A 37 -9.683 -10.618 0.700 1.00 0.00 O ATOM 609 CB LEU A 37 -10.482 -7.453 -0.414 1.00 0.00 C ATOM 610 CG LEU A 37 -11.106 -8.249 -1.568 1.00 0.00 C ATOM 611 CD1 LEU A 37 -11.483 -7.283 -2.686 1.00 0.00 C ATOM 612 CD2 LEU A 37 -10.100 -9.265 -2.113 1.00 0.00 C ATOM 0 H LEU A 37 -9.481 -6.538 1.562 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.334 -8.808 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.085 -6.569 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.490 -7.103 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.988 -8.776 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.928 -7.838 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.201 -6.554 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.590 -6.765 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.554 -9.824 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.216 -8.742 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.812 -9.954 -1.319 1.00 0.00 H new ATOM 624 N ILE A 38 -8.117 -9.097 0.462 1.00 0.00 N ATOM 625 CA ILE A 38 -7.059 -10.137 0.273 1.00 0.00 C ATOM 626 C ILE A 38 -6.800 -10.893 1.581 1.00 0.00 C ATOM 627 O ILE A 38 -6.163 -11.926 1.598 1.00 0.00 O ATOM 628 CB ILE A 38 -5.817 -9.345 -0.141 1.00 0.00 C ATOM 629 CG1 ILE A 38 -4.686 -10.311 -0.503 1.00 0.00 C ATOM 630 CG2 ILE A 38 -5.365 -8.446 1.013 1.00 0.00 C ATOM 631 CD1 ILE A 38 -5.121 -11.194 -1.676 1.00 0.00 C ATOM 0 H ILE A 38 -7.787 -8.133 0.422 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.344 -10.887 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.061 -8.728 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.788 -9.753 -0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.434 -10.930 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.480 -7.885 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.166 -7.752 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.127 -9.061 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.315 -11.881 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.007 -11.763 -1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.351 -10.567 -2.537 1.00 0.00 H new ATOM 643 N LEU A 39 -7.270 -10.372 2.679 1.00 0.00 N ATOM 644 CA LEU A 39 -7.039 -11.033 3.985 1.00 0.00 C ATOM 645 C LEU A 39 -7.868 -12.321 4.121 1.00 0.00 C ATOM 646 O LEU A 39 -7.514 -13.208 4.874 1.00 0.00 O ATOM 647 CB LEU A 39 -7.478 -9.986 5.009 1.00 0.00 C ATOM 648 CG LEU A 39 -7.426 -10.593 6.402 1.00 0.00 C ATOM 649 CD1 LEU A 39 -5.994 -11.032 6.717 1.00 0.00 C ATOM 650 CD2 LEU A 39 -7.887 -9.562 7.433 1.00 0.00 C ATOM 0 H LEU A 39 -7.809 -9.507 2.724 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.002 -11.343 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.827 -9.113 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.489 -9.644 4.786 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.087 -11.459 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.958 -11.467 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.672 -11.774 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.331 -10.168 6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.848 -10.002 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.232 -8.691 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.910 -9.257 7.211 1.00 0.00 H new ATOM 662 N ILE A 40 -8.964 -12.438 3.420 1.00 0.00 N ATOM 663 CA ILE A 40 -9.787 -13.674 3.544 1.00 0.00 C ATOM 664 C ILE A 40 -10.099 -14.269 2.168 1.00 0.00 C ATOM 665 O ILE A 40 -10.102 -15.472 1.996 1.00 0.00 O ATOM 666 CB ILE A 40 -11.068 -13.234 4.253 1.00 0.00 C ATOM 667 CG1 ILE A 40 -11.763 -12.149 3.425 1.00 0.00 C ATOM 668 CG2 ILE A 40 -10.719 -12.678 5.634 1.00 0.00 C ATOM 669 CD1 ILE A 40 -13.035 -11.697 4.143 1.00 0.00 C ATOM 0 H ILE A 40 -9.322 -11.737 2.772 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.264 -14.453 4.098 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.735 -14.089 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -11.093 -11.301 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -12.008 -12.533 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.631 -12.364 6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.224 -13.450 6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.052 -11.823 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -13.530 -10.925 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -13.706 -12.547 4.264 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.777 -11.296 5.123 1.00 0.00 H new ATOM 681 N PHE A 41 -10.357 -13.450 1.189 1.00 0.00 N ATOM 682 CA PHE A 41 -10.656 -13.998 -0.160 1.00 0.00 C ATOM 683 C PHE A 41 -9.422 -14.693 -0.742 1.00 0.00 C ATOM 684 O PHE A 41 -9.516 -15.431 -1.703 1.00 0.00 O ATOM 685 CB PHE A 41 -11.058 -12.794 -1.013 1.00 0.00 C ATOM 686 CG PHE A 41 -12.397 -12.276 -0.543 1.00 0.00 C ATOM 687 CD1 PHE A 41 -13.511 -13.124 -0.546 1.00 0.00 C ATOM 688 CD2 PHE A 41 -12.528 -10.951 -0.113 1.00 0.00 C ATOM 689 CE1 PHE A 41 -14.755 -12.647 -0.120 1.00 0.00 C ATOM 690 CE2 PHE A 41 -13.773 -10.473 0.314 1.00 0.00 C ATOM 691 CZ PHE A 41 -14.885 -11.322 0.311 1.00 0.00 C ATOM 0 H PHE A 41 -10.374 -12.433 1.263 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.449 -14.746 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.304 -12.011 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.114 -13.080 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -13.410 -14.147 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -11.669 -10.297 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.615 -13.301 -0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.875 -9.450 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 41 -15.845 -10.954 0.642 1.00 0.00 H new ATOM 701 N LEU A 42 -8.263 -14.467 -0.178 1.00 0.00 N ATOM 702 CA LEU A 42 -7.048 -15.129 -0.729 1.00 0.00 C ATOM 703 C LEU A 42 -7.254 -16.648 -0.754 1.00 0.00 C ATOM 704 O LEU A 42 -6.778 -17.329 -1.635 1.00 0.00 O ATOM 705 CB LEU A 42 -5.863 -14.746 0.183 1.00 0.00 C ATOM 706 CG LEU A 42 -5.935 -15.458 1.548 1.00 0.00 C ATOM 707 CD1 LEU A 42 -4.591 -15.306 2.262 1.00 0.00 C ATOM 708 CD2 LEU A 42 -7.017 -14.832 2.426 1.00 0.00 C ATOM 0 H LEU A 42 -8.108 -13.862 0.628 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.850 -14.806 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.926 -15.003 -0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.857 -13.667 0.336 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.170 -16.509 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.634 -15.807 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.804 -15.754 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.376 -14.248 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.052 -15.349 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.789 -13.779 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.984 -14.921 1.931 1.00 0.00 H new ATOM 720 N LEU A 43 -7.963 -17.184 0.204 1.00 0.00 N ATOM 721 CA LEU A 43 -8.198 -18.654 0.223 1.00 0.00 C ATOM 722 C LEU A 43 -9.301 -19.026 -0.771 1.00 0.00 C ATOM 723 O LEU A 43 -9.339 -20.125 -1.287 1.00 0.00 O ATOM 724 CB LEU A 43 -8.643 -18.969 1.654 1.00 0.00 C ATOM 725 CG LEU A 43 -8.930 -20.468 1.784 1.00 0.00 C ATOM 726 CD1 LEU A 43 -7.660 -21.263 1.474 1.00 0.00 C ATOM 727 CD2 LEU A 43 -9.389 -20.780 3.210 1.00 0.00 C ATOM 0 H LEU A 43 -8.389 -16.666 0.973 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.308 -19.216 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.867 -18.674 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.535 -18.395 1.903 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.714 -20.747 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.866 -22.329 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.333 -21.044 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.875 -20.983 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.593 -21.847 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.606 -20.499 3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.296 -20.217 3.432 1.00 0.00 H new ATOM 739 N LEU A 44 -10.193 -18.114 -1.045 1.00 0.00 N ATOM 740 CA LEU A 44 -11.288 -18.412 -2.009 1.00 0.00 C ATOM 741 C LEU A 44 -10.743 -18.390 -3.437 1.00 0.00 C ATOM 742 O LEU A 44 -11.037 -19.253 -4.239 1.00 0.00 O ATOM 743 CB LEU A 44 -12.337 -17.309 -1.811 1.00 0.00 C ATOM 744 CG LEU A 44 -13.099 -17.517 -0.491 1.00 0.00 C ATOM 745 CD1 LEU A 44 -13.723 -18.914 -0.477 1.00 0.00 C ATOM 746 CD2 LEU A 44 -12.156 -17.367 0.704 1.00 0.00 C ATOM 0 H LEU A 44 -10.210 -17.177 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.720 -19.399 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.851 -16.334 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.038 -17.312 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.881 -16.762 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -14.263 -19.062 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.414 -19.012 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -12.937 -19.664 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.713 -17.518 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.360 -18.109 0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.721 -16.367 0.701 1.00 0.00 H new ATOM 758 N ILE A 45 -9.951 -17.409 -3.764 1.00 0.00 N ATOM 759 CA ILE A 45 -9.388 -17.338 -5.141 1.00 0.00 C ATOM 760 C ILE A 45 -8.438 -18.517 -5.383 1.00 0.00 C ATOM 761 O ILE A 45 -8.187 -18.905 -6.505 1.00 0.00 O ATOM 762 CB ILE A 45 -8.623 -16.012 -5.196 1.00 0.00 C ATOM 763 CG1 ILE A 45 -7.480 -16.034 -4.176 1.00 0.00 C ATOM 764 CG2 ILE A 45 -9.575 -14.860 -4.867 1.00 0.00 C ATOM 765 CD1 ILE A 45 -6.719 -14.708 -4.233 1.00 0.00 C ATOM 0 H ILE A 45 -9.669 -16.654 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.163 -17.389 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.213 -15.873 -6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.876 -16.195 -3.173 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.804 -16.863 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.031 -13.916 -4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.388 -14.841 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.985 -15.001 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.906 -14.724 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.310 -14.566 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.398 -13.888 -3.999 1.00 0.00 H new ATOM 777 N CYS A 46 -7.909 -19.089 -4.336 1.00 0.00 N ATOM 778 CA CYS A 46 -6.974 -20.237 -4.499 1.00 0.00 C ATOM 779 C CYS A 46 -7.729 -21.548 -4.743 1.00 0.00 C ATOM 780 O CYS A 46 -7.450 -22.264 -5.682 1.00 0.00 O ATOM 781 CB CYS A 46 -6.193 -20.297 -3.193 1.00 0.00 C ATOM 782 SG CYS A 46 -5.006 -18.933 -3.136 1.00 0.00 S ATOM 0 H CYS A 46 -8.085 -18.809 -3.371 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.324 -20.104 -5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.876 -20.235 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -5.671 -21.251 -3.112 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.576 -17.883 -2.624 1.00 0.00 H new ATOM 788 N ILE A 47 -8.670 -21.881 -3.904 1.00 0.00 N ATOM 789 CA ILE A 47 -9.416 -23.159 -4.102 1.00 0.00 C ATOM 790 C ILE A 47 -10.032 -23.223 -5.504 1.00 0.00 C ATOM 791 O ILE A 47 -10.313 -24.289 -6.016 1.00 0.00 O ATOM 792 CB ILE A 47 -10.511 -23.168 -3.033 1.00 0.00 C ATOM 793 CG1 ILE A 47 -11.395 -21.931 -3.191 1.00 0.00 C ATOM 794 CG2 ILE A 47 -9.872 -23.163 -1.642 1.00 0.00 C ATOM 795 CD1 ILE A 47 -12.524 -21.976 -2.160 1.00 0.00 C ATOM 0 H ILE A 47 -8.955 -21.329 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.756 -24.022 -4.013 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.119 -24.065 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.801 -21.027 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.809 -21.893 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.654 -23.169 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.246 -24.048 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.261 -22.268 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.155 -21.094 -2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.123 -22.873 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.100 -21.993 -1.156 1.00 0.00 H new ATOM 807 N ILE A 48 -10.246 -22.099 -6.130 1.00 0.00 N ATOM 808 CA ILE A 48 -10.845 -22.115 -7.492 1.00 0.00 C ATOM 809 C ILE A 48 -9.746 -22.136 -8.562 1.00 0.00 C ATOM 810 O ILE A 48 -9.915 -22.704 -9.622 1.00 0.00 O ATOM 811 CB ILE A 48 -11.684 -20.837 -7.597 1.00 0.00 C ATOM 812 CG1 ILE A 48 -10.782 -19.605 -7.482 1.00 0.00 C ATOM 813 CG2 ILE A 48 -12.719 -20.816 -6.473 1.00 0.00 C ATOM 814 CD1 ILE A 48 -11.627 -18.340 -7.635 1.00 0.00 C ATOM 0 H ILE A 48 -10.033 -21.173 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 48 -11.456 -23.003 -7.652 1.00 0.00 H new ATOM 0 HB ILE A 48 -12.189 -20.820 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -10.274 -19.602 -6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -10.009 -19.634 -8.250 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.317 -19.908 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.369 -21.686 -6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.210 -20.839 -5.509 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.986 -17.462 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.115 -18.344 -8.610 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.384 -18.311 -6.851 1.00 0.00 H new ATOM 826 N VAL A 49 -8.621 -21.530 -8.294 1.00 0.00 N ATOM 827 CA VAL A 49 -7.519 -21.533 -9.300 1.00 0.00 C ATOM 828 C VAL A 49 -6.587 -22.725 -9.061 1.00 0.00 C ATOM 829 O VAL A 49 -6.114 -23.351 -9.988 1.00 0.00 O ATOM 830 CB VAL A 49 -6.772 -20.214 -9.094 1.00 0.00 C ATOM 831 CG1 VAL A 49 -5.560 -20.166 -10.026 1.00 0.00 C ATOM 832 CG2 VAL A 49 -7.702 -19.041 -9.413 1.00 0.00 C ATOM 0 H VAL A 49 -8.417 -21.035 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.897 -21.624 -10.318 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.442 -20.144 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.026 -19.227 -9.881 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.895 -21.000 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.894 -20.237 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.168 -18.102 -9.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.034 -19.111 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.568 -19.073 -8.752 1.00 0.00 H new ATOM 842 N MET A 50 -6.319 -23.045 -7.823 1.00 0.00 N ATOM 843 CA MET A 50 -5.421 -24.197 -7.530 1.00 0.00 C ATOM 844 C MET A 50 -6.045 -25.500 -8.035 1.00 0.00 C ATOM 845 O MET A 50 -5.357 -26.464 -8.308 1.00 0.00 O ATOM 846 CB MET A 50 -5.287 -24.222 -6.013 1.00 0.00 C ATOM 847 CG MET A 50 -4.658 -22.913 -5.526 1.00 0.00 C ATOM 848 SD MET A 50 -3.010 -22.726 -6.250 1.00 0.00 S ATOM 849 CE MET A 50 -2.601 -21.137 -5.484 1.00 0.00 C ATOM 0 H MET A 50 -6.683 -22.558 -7.004 1.00 0.00 H new ATOM 0 HA MET A 50 -4.454 -24.098 -8.022 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.266 -24.358 -5.554 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.671 -25.068 -5.707 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.288 -22.069 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.591 -22.913 -4.438 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.605 -20.826 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.330 -20.387 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.621 -21.240 -4.399 1.00 0.00 H new ATOM 859 N LEU A 51 -7.343 -25.534 -8.163 1.00 0.00 N ATOM 860 CA LEU A 51 -8.013 -26.775 -8.655 1.00 0.00 C ATOM 861 C LEU A 51 -8.297 -26.674 -10.160 1.00 0.00 C ATOM 862 O LEU A 51 -8.720 -27.627 -10.782 1.00 0.00 O ATOM 863 CB LEU A 51 -9.321 -26.853 -7.869 1.00 0.00 C ATOM 864 CG LEU A 51 -9.013 -26.973 -6.375 1.00 0.00 C ATOM 865 CD1 LEU A 51 -10.324 -27.042 -5.588 1.00 0.00 C ATOM 866 CD2 LEU A 51 -8.201 -28.247 -6.126 1.00 0.00 C ATOM 0 H LEU A 51 -7.970 -24.758 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.393 -27.660 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.924 -25.964 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.906 -27.711 -8.200 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.440 -26.105 -6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.105 -27.128 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.904 -26.137 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.897 -27.911 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.980 -28.335 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.776 -29.114 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.268 -28.200 -6.688 1.00 0.00 H new ATOM 878 N LEU A 52 -8.070 -25.529 -10.749 1.00 0.00 N ATOM 879 CA LEU A 52 -8.330 -25.381 -12.209 1.00 0.00 C ATOM 880 C LEU A 52 -7.085 -24.833 -12.912 1.00 0.00 C ATOM 881 O LEU A 52 -6.725 -23.701 -12.638 1.00 0.00 O ATOM 882 CB LEU A 52 -9.485 -24.382 -12.304 1.00 0.00 C ATOM 883 CG LEU A 52 -10.708 -24.944 -11.576 1.00 0.00 C ATOM 884 CD1 LEU A 52 -11.859 -23.939 -11.668 1.00 0.00 C ATOM 885 CD2 LEU A 52 -11.129 -26.262 -12.228 1.00 0.00 C ATOM 886 OXT LEU A 52 -6.513 -25.555 -13.713 1.00 0.00 O ATOM 0 H LEU A 52 -7.717 -24.693 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.572 -26.330 -12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.193 -23.429 -11.863 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.728 -24.189 -13.349 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.460 -25.120 -10.529 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.732 -24.337 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.559 -22.999 -11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.107 -23.764 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.000 -26.662 -11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.378 -26.087 -13.275 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.309 -26.977 -12.165 1.00 0.00 H new