USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -179:sc= -0.239 (180deg=-0.309) USER MOD Single : A 6 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.26) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= -1.73! C(o=-1.7!,f=-4.2!) USER MOD Single : A 14 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.042) USER MOD Single : A 15 GLN : amide:sc= -0.846 X(o=-0.85,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ -165:sc=-0.000442 (180deg=-0.238) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -28.382 -2.929 -0.972 1.00 0.00 N ATOM 2 CA ASP A 1 -28.054 -4.218 -0.388 1.00 0.00 C ATOM 3 C ASP A 1 -26.583 -4.538 -0.660 1.00 0.00 C ATOM 4 O ASP A 1 -26.059 -5.537 -0.169 1.00 0.00 O ATOM 5 CB ASP A 1 -28.902 -5.333 -1.004 1.00 0.00 C ATOM 6 CG ASP A 1 -30.412 -5.183 -0.804 1.00 0.00 C ATOM 7 OD1 ASP A 1 -30.808 -4.924 0.353 1.00 0.00 O ATOM 8 OD2 ASP A 1 -31.134 -5.331 -1.813 1.00 0.00 O ATOM 0 H1 ASP A 1 -29.377 -2.701 -0.774 1.00 0.00 H new ATOM 0 H2 ASP A 1 -27.770 -2.196 -0.560 1.00 0.00 H new ATOM 0 H3 ASP A 1 -28.234 -2.966 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 1 -28.252 -4.163 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -28.695 -5.378 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -28.587 -6.286 -0.578 1.00 0.00 H new ATOM 12 N ALA A 2 -25.957 -3.671 -1.442 1.00 0.00 N ATOM 13 CA ALA A 2 -24.557 -3.848 -1.785 1.00 0.00 C ATOM 14 C ALA A 2 -23.696 -2.991 -0.854 1.00 0.00 C ATOM 15 O ALA A 2 -23.928 -2.956 0.354 1.00 0.00 O ATOM 16 CB ALA A 2 -24.344 -3.500 -3.259 1.00 0.00 C ATOM 0 H ALA A 2 -26.394 -2.844 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 2 -24.257 -4.887 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.293 -3.633 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.955 -4.155 -3.880 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.632 -2.463 -3.433 1.00 0.00 H new ATOM 22 N GLU A 3 -22.720 -2.324 -1.452 1.00 0.00 N ATOM 23 CA GLU A 3 -21.823 -1.470 -0.691 1.00 0.00 C ATOM 24 C GLU A 3 -20.928 -0.663 -1.635 1.00 0.00 C ATOM 25 O GLU A 3 -20.778 0.546 -1.473 1.00 0.00 O ATOM 26 CB GLU A 3 -20.984 -2.291 0.290 1.00 0.00 C ATOM 27 CG GLU A 3 -20.914 -1.610 1.658 1.00 0.00 C ATOM 28 CD GLU A 3 -22.252 -1.713 2.392 1.00 0.00 C ATOM 29 OE1 GLU A 3 -22.718 -2.861 2.563 1.00 0.00 O ATOM 30 OE2 GLU A 3 -22.780 -0.644 2.765 1.00 0.00 O ATOM 0 H GLU A 3 -22.530 -2.357 -2.454 1.00 0.00 H new ATOM 0 HA GLU A 3 -22.425 -0.773 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.415 -3.286 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.977 -2.421 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.130 -2.072 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -20.644 -0.561 1.533 1.00 0.00 H new ATOM 35 N PHE A 4 -20.357 -1.368 -2.601 1.00 0.00 N ATOM 36 CA PHE A 4 -19.483 -0.734 -3.573 1.00 0.00 C ATOM 37 C PHE A 4 -20.112 0.545 -4.126 1.00 0.00 C ATOM 38 O PHE A 4 -19.406 1.487 -4.482 1.00 0.00 O ATOM 39 CB PHE A 4 -19.286 -1.729 -4.717 1.00 0.00 C ATOM 40 CG PHE A 4 -18.390 -2.916 -4.364 1.00 0.00 C ATOM 41 CD1 PHE A 4 -18.921 -4.015 -3.763 1.00 0.00 C ATOM 42 CD2 PHE A 4 -17.061 -2.874 -4.651 1.00 0.00 C ATOM 43 CE1 PHE A 4 -18.088 -5.117 -3.434 1.00 0.00 C ATOM 44 CE2 PHE A 4 -16.228 -3.976 -4.323 1.00 0.00 C ATOM 45 CZ PHE A 4 -16.759 -5.074 -3.721 1.00 0.00 C ATOM 0 H PHE A 4 -20.483 -2.372 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 4 -18.537 -0.466 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -20.260 -2.104 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -18.857 -1.205 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -19.976 -4.049 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -16.639 -2.002 -5.129 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -18.509 -5.989 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -15.173 -3.942 -4.551 1.00 0.00 H new ATOM 0 HZ PHE A 4 -16.125 -5.912 -3.471 1.00 0.00 H new ATOM 54 N ARG A 5 -21.437 0.537 -4.183 1.00 0.00 N ATOM 55 CA ARG A 5 -22.171 1.686 -4.686 1.00 0.00 C ATOM 56 C ARG A 5 -21.615 2.977 -4.084 1.00 0.00 C ATOM 57 O ARG A 5 -21.025 3.793 -4.791 1.00 0.00 O ATOM 58 CB ARG A 5 -23.661 1.576 -4.355 1.00 0.00 C ATOM 59 CG ARG A 5 -23.874 0.838 -3.033 1.00 0.00 C ATOM 60 CD ARG A 5 -24.853 1.597 -2.133 1.00 0.00 C ATOM 61 NE ARG A 5 -25.416 0.684 -1.114 1.00 0.00 N ATOM 62 CZ ARG A 5 -26.013 1.093 0.015 1.00 0.00 C ATOM 63 NH1 ARG A 5 -26.126 2.403 0.274 1.00 0.00 N ATOM 64 NH2 ARG A 5 -26.496 0.192 0.882 1.00 0.00 N ATOM 0 H ARG A 5 -22.020 -0.247 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 5 -22.052 1.707 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -24.098 2.572 -4.294 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -24.178 1.049 -5.157 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -24.256 -0.164 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -22.919 0.720 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -24.343 2.428 -1.646 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -25.656 2.024 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 5 -25.346 -0.320 -1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -25.758 3.087 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -26.580 2.716 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -26.409 -0.805 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -26.950 0.503 1.741 1.00 0.00 H new ATOM 75 N HIS A 6 -21.824 3.124 -2.784 1.00 0.00 N ATOM 76 CA HIS A 6 -21.352 4.303 -2.079 1.00 0.00 C ATOM 77 C HIS A 6 -19.839 4.206 -1.870 1.00 0.00 C ATOM 78 O HIS A 6 -19.108 5.154 -2.147 1.00 0.00 O ATOM 79 CB HIS A 6 -22.119 4.497 -0.770 1.00 0.00 C ATOM 80 CG HIS A 6 -22.539 5.925 -0.509 1.00 0.00 C ATOM 81 ND1 HIS A 6 -23.131 6.327 0.675 1.00 0.00 N ATOM 82 CD2 HIS A 6 -22.446 7.038 -1.291 1.00 0.00 C ATOM 83 CE1 HIS A 6 -23.380 7.627 0.599 1.00 0.00 C ATOM 84 NE2 HIS A 6 -22.954 8.064 -0.622 1.00 0.00 N ATOM 0 H HIS A 6 -22.314 2.446 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.545 5.191 -2.681 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.007 3.865 -0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.497 4.155 0.057 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -22.029 7.077 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -23.838 8.233 1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.016 9.023 -0.964 1.00 0.00 H new ATOM 92 N ASP A 7 -19.415 3.048 -1.385 1.00 0.00 N ATOM 93 CA ASP A 7 -18.002 2.814 -1.137 1.00 0.00 C ATOM 94 C ASP A 7 -17.188 3.319 -2.329 1.00 0.00 C ATOM 95 O ASP A 7 -16.133 3.927 -2.152 1.00 0.00 O ATOM 96 CB ASP A 7 -17.714 1.320 -0.967 1.00 0.00 C ATOM 97 CG ASP A 7 -17.315 0.896 0.448 1.00 0.00 C ATOM 98 OD1 ASP A 7 -17.402 1.761 1.347 1.00 0.00 O ATOM 99 OD2 ASP A 7 -16.930 -0.283 0.599 1.00 0.00 O ATOM 0 H ASP A 7 -20.024 2.262 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.728 3.342 -0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.600 0.758 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.915 1.039 -1.653 1.00 0.00 H new ATOM 103 N SER A 8 -17.709 3.049 -3.517 1.00 0.00 N ATOM 104 CA SER A 8 -17.043 3.469 -4.739 1.00 0.00 C ATOM 105 C SER A 8 -16.597 4.928 -4.616 1.00 0.00 C ATOM 106 O SER A 8 -15.460 5.261 -4.945 1.00 0.00 O ATOM 107 CB SER A 8 -17.958 3.294 -5.953 1.00 0.00 C ATOM 108 OG SER A 8 -17.468 3.991 -7.095 1.00 0.00 O ATOM 0 H SER A 8 -18.584 2.545 -3.660 1.00 0.00 H new ATOM 0 HA SER A 8 -16.166 2.838 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.050 2.234 -6.187 1.00 0.00 H new ATOM 0 HB3 SER A 8 -18.957 3.655 -5.709 1.00 0.00 H new ATOM 0 HG SER A 8 -18.079 3.853 -7.849 1.00 0.00 H new ATOM 113 N GLY A 9 -17.515 5.757 -4.142 1.00 0.00 N ATOM 114 CA GLY A 9 -17.229 7.171 -3.970 1.00 0.00 C ATOM 115 C GLY A 9 -15.831 7.382 -3.387 1.00 0.00 C ATOM 116 O GLY A 9 -15.232 8.440 -3.570 1.00 0.00 O ATOM 0 H GLY A 9 -18.458 5.477 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.307 7.681 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.973 7.618 -3.311 1.00 0.00 H new ATOM 120 N TYR A 10 -15.352 6.358 -2.697 1.00 0.00 N ATOM 121 CA TYR A 10 -14.034 6.418 -2.087 1.00 0.00 C ATOM 122 C TYR A 10 -12.995 5.702 -2.952 1.00 0.00 C ATOM 123 O TYR A 10 -12.041 6.321 -3.423 1.00 0.00 O ATOM 124 CB TYR A 10 -14.157 5.686 -0.748 1.00 0.00 C ATOM 125 CG TYR A 10 -13.095 4.606 -0.531 1.00 0.00 C ATOM 126 CD1 TYR A 10 -11.848 4.949 -0.051 1.00 0.00 C ATOM 127 CD2 TYR A 10 -13.386 3.286 -0.815 1.00 0.00 C ATOM 128 CE1 TYR A 10 -10.849 3.932 0.153 1.00 0.00 C ATOM 129 CE2 TYR A 10 -12.387 2.269 -0.609 1.00 0.00 C ATOM 130 CZ TYR A 10 -11.168 2.644 -0.135 1.00 0.00 C ATOM 131 OH TYR A 10 -10.225 1.682 0.057 1.00 0.00 O ATOM 0 H TYR A 10 -15.852 5.482 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 10 -13.711 7.453 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.091 6.414 0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -15.144 5.229 -0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.621 5.981 0.172 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.362 3.017 -1.191 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.868 4.188 0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -12.601 1.233 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.594 0.808 -0.190 1.00 0.00 H new ATOM 140 N GLU A 11 -13.215 4.409 -3.137 1.00 0.00 N ATOM 141 CA GLU A 11 -12.310 3.602 -3.939 1.00 0.00 C ATOM 142 C GLU A 11 -11.894 4.365 -5.198 1.00 0.00 C ATOM 143 O GLU A 11 -10.735 4.753 -5.340 1.00 0.00 O ATOM 144 CB GLU A 11 -12.944 2.257 -4.296 1.00 0.00 C ATOM 145 CG GLU A 11 -11.875 1.177 -4.477 1.00 0.00 C ATOM 146 CD GLU A 11 -12.317 0.134 -5.505 1.00 0.00 C ATOM 147 OE1 GLU A 11 -13.546 -0.069 -5.614 1.00 0.00 O ATOM 148 OE2 GLU A 11 -11.418 -0.437 -6.157 1.00 0.00 O ATOM 0 H GLU A 11 -14.007 3.899 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.416 3.398 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.638 1.958 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.524 2.357 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.940 1.636 -4.799 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.679 0.691 -3.521 1.00 0.00 H new ATOM 153 N VAL A 12 -12.862 4.556 -6.082 1.00 0.00 N ATOM 154 CA VAL A 12 -12.611 5.265 -7.326 1.00 0.00 C ATOM 155 C VAL A 12 -11.935 6.603 -7.017 1.00 0.00 C ATOM 156 O VAL A 12 -11.274 7.182 -7.878 1.00 0.00 O ATOM 157 CB VAL A 12 -13.915 5.422 -8.111 1.00 0.00 C ATOM 158 CG1 VAL A 12 -14.885 6.356 -7.385 1.00 0.00 C ATOM 159 CG2 VAL A 12 -13.642 5.914 -9.534 1.00 0.00 C ATOM 0 H VAL A 12 -13.822 4.232 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.932 4.695 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.384 4.441 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.803 6.449 -7.965 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.117 5.947 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.427 7.338 -7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.585 6.017 -10.071 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.139 6.880 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.007 5.195 -10.052 1.00 0.00 H new ATOM 169 N HIS A 13 -12.125 7.056 -5.787 1.00 0.00 N ATOM 170 CA HIS A 13 -11.541 8.315 -5.355 1.00 0.00 C ATOM 171 C HIS A 13 -10.104 8.082 -4.888 1.00 0.00 C ATOM 172 O HIS A 13 -9.156 8.512 -5.544 1.00 0.00 O ATOM 173 CB HIS A 13 -12.412 8.977 -4.284 1.00 0.00 C ATOM 174 CG HIS A 13 -13.180 10.181 -4.775 1.00 0.00 C ATOM 175 ND1 HIS A 13 -14.286 10.686 -4.115 1.00 0.00 N ATOM 176 CD2 HIS A 13 -12.988 10.975 -5.869 1.00 0.00 C ATOM 177 CE1 HIS A 13 -14.732 11.736 -4.789 1.00 0.00 C ATOM 178 NE2 HIS A 13 -13.928 11.913 -5.875 1.00 0.00 N ATOM 0 H HIS A 13 -12.675 6.574 -5.076 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.505 9.010 -6.194 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.118 8.241 -3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.778 9.278 -3.450 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -14.690 10.313 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -12.205 10.860 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.584 12.345 -4.524 1.00 0.00 H new ATOM 186 N HIS A 14 -9.986 7.398 -3.759 1.00 0.00 N ATOM 187 CA HIS A 14 -8.679 7.102 -3.197 1.00 0.00 C ATOM 188 C HIS A 14 -7.615 7.200 -4.292 1.00 0.00 C ATOM 189 O HIS A 14 -6.646 7.946 -4.156 1.00 0.00 O ATOM 190 CB HIS A 14 -8.685 5.741 -2.497 1.00 0.00 C ATOM 191 CG HIS A 14 -7.646 5.606 -1.410 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.496 4.456 -0.655 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.707 6.486 -0.959 1.00 0.00 C ATOM 194 CE1 HIS A 14 -6.510 4.647 0.209 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.023 5.907 0.019 1.00 0.00 N ATOM 0 H HIS A 14 -10.774 7.041 -3.219 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.433 7.839 -2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.671 5.570 -2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.522 4.961 -3.240 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.547 7.486 -1.335 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.154 3.931 0.936 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.259 6.334 0.543 1.00 0.00 H new ATOM 203 N GLN A 15 -7.832 6.437 -5.353 1.00 0.00 N ATOM 204 CA GLN A 15 -6.904 6.428 -6.471 1.00 0.00 C ATOM 205 C GLN A 15 -6.512 7.860 -6.847 1.00 0.00 C ATOM 206 O GLN A 15 -5.521 8.073 -7.544 1.00 0.00 O ATOM 207 CB GLN A 15 -7.497 5.689 -7.672 1.00 0.00 C ATOM 208 CG GLN A 15 -6.485 5.599 -8.815 1.00 0.00 C ATOM 209 CD GLN A 15 -5.767 4.248 -8.808 1.00 0.00 C ATOM 210 OE1 GLN A 15 -4.566 4.156 -8.612 1.00 0.00 O ATOM 211 NE2 GLN A 15 -6.566 3.210 -9.033 1.00 0.00 N ATOM 0 H GLN A 15 -8.637 5.820 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.005 5.893 -6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.802 4.686 -7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.393 6.206 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.995 5.739 -9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.755 6.403 -8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.563 3.358 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.182 2.265 -9.049 1.00 0.00 H new ATOM 218 N LYS A 16 -7.312 8.802 -6.370 1.00 0.00 N ATOM 219 CA LYS A 16 -7.063 10.206 -6.647 1.00 0.00 C ATOM 220 C LYS A 16 -5.562 10.484 -6.535 1.00 0.00 C ATOM 221 O LYS A 16 -4.955 11.021 -7.461 1.00 0.00 O ATOM 222 CB LYS A 16 -7.922 11.092 -5.744 1.00 0.00 C ATOM 223 CG LYS A 16 -7.859 12.554 -6.188 1.00 0.00 C ATOM 224 CD LYS A 16 -7.668 12.658 -7.702 1.00 0.00 C ATOM 225 CE LYS A 16 -8.919 12.188 -8.447 1.00 0.00 C ATOM 226 NZ LYS A 16 -9.204 13.077 -9.596 1.00 0.00 N ATOM 0 H LYS A 16 -8.133 8.620 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.358 10.451 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.955 10.746 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.579 11.007 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.776 13.066 -5.897 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.038 13.058 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.445 13.690 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.812 12.056 -8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.778 11.165 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.771 12.178 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.056 12.743 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.359 14.047 -9.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.397 13.066 -10.252 1.00 0.00 H new ATOM 236 N LEU A 17 -5.006 10.108 -5.392 1.00 0.00 N ATOM 237 CA LEU A 17 -3.589 10.311 -5.146 1.00 0.00 C ATOM 238 C LEU A 17 -2.844 8.992 -5.364 1.00 0.00 C ATOM 239 O LEU A 17 -1.909 8.927 -6.160 1.00 0.00 O ATOM 240 CB LEU A 17 -3.366 10.920 -3.761 1.00 0.00 C ATOM 241 CG LEU A 17 -4.623 11.405 -3.032 1.00 0.00 C ATOM 242 CD1 LEU A 17 -5.404 12.402 -3.890 1.00 0.00 C ATOM 243 CD2 LEU A 17 -5.490 10.225 -2.592 1.00 0.00 C ATOM 0 H LEU A 17 -5.512 9.664 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.180 11.031 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.870 10.178 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.681 11.762 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.313 11.931 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.291 12.731 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.774 13.264 -4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.704 11.923 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.376 10.597 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.793 9.650 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.920 9.586 -1.918 1.00 0.00 H new ATOM 254 N VAL A 18 -3.287 7.973 -4.644 1.00 0.00 N ATOM 255 CA VAL A 18 -2.675 6.660 -4.748 1.00 0.00 C ATOM 256 C VAL A 18 -1.955 6.543 -6.092 1.00 0.00 C ATOM 257 O VAL A 18 -0.834 6.040 -6.159 1.00 0.00 O ATOM 258 CB VAL A 18 -3.730 5.573 -4.540 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.287 4.578 -3.463 1.00 0.00 C ATOM 260 CG2 VAL A 18 -5.089 6.185 -4.194 1.00 0.00 C ATOM 0 H VAL A 18 -4.064 8.030 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.928 6.524 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.838 5.028 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.055 3.815 -3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.353 4.105 -3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.137 5.105 -2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.821 5.390 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.003 6.767 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.413 6.835 -5.007 1.00 0.00 H new ATOM 270 N PHE A 19 -2.627 7.017 -7.130 1.00 0.00 N ATOM 271 CA PHE A 19 -2.065 6.973 -8.471 1.00 0.00 C ATOM 272 C PHE A 19 -0.591 7.381 -8.459 1.00 0.00 C ATOM 273 O PHE A 19 0.246 6.717 -9.069 1.00 0.00 O ATOM 274 CB PHE A 19 -2.853 7.973 -9.320 1.00 0.00 C ATOM 275 CG PHE A 19 -3.236 7.447 -10.704 1.00 0.00 C ATOM 276 CD1 PHE A 19 -4.083 6.388 -10.818 1.00 0.00 C ATOM 277 CD2 PHE A 19 -2.730 8.037 -11.819 1.00 0.00 C ATOM 278 CE1 PHE A 19 -4.438 5.900 -12.103 1.00 0.00 C ATOM 279 CE2 PHE A 19 -3.086 7.548 -13.105 1.00 0.00 C ATOM 280 CZ PHE A 19 -3.933 6.490 -13.219 1.00 0.00 C ATOM 0 H PHE A 19 -3.556 7.434 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.131 5.961 -8.870 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.760 8.253 -8.785 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.260 8.880 -9.438 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.485 5.919 -9.932 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.058 8.877 -11.728 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.110 5.059 -12.194 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.684 8.016 -13.991 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.204 6.118 -14.196 1.00 0.00 H new ATOM 289 N PHE A 20 -0.317 8.474 -7.761 1.00 0.00 N ATOM 290 CA PHE A 20 1.043 8.979 -7.663 1.00 0.00 C ATOM 291 C PHE A 20 1.799 8.298 -6.520 1.00 0.00 C ATOM 292 O PHE A 20 2.967 7.945 -6.669 1.00 0.00 O ATOM 293 CB PHE A 20 0.942 10.477 -7.373 1.00 0.00 C ATOM 294 CG PHE A 20 1.825 11.346 -8.271 1.00 0.00 C ATOM 295 CD1 PHE A 20 3.173 11.360 -8.092 1.00 0.00 C ATOM 296 CD2 PHE A 20 1.260 12.104 -9.250 1.00 0.00 C ATOM 297 CE1 PHE A 20 3.991 12.166 -8.926 1.00 0.00 C ATOM 298 CE2 PHE A 20 2.079 12.910 -10.085 1.00 0.00 C ATOM 299 CZ PHE A 20 3.427 12.924 -9.905 1.00 0.00 C ATOM 0 H PHE A 20 -1.013 9.024 -7.258 1.00 0.00 H new ATOM 0 HA PHE A 20 1.583 8.780 -8.588 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.096 10.790 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.214 10.654 -6.332 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.621 10.758 -7.315 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.189 12.093 -9.392 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.061 12.178 -8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.631 13.511 -10.862 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.050 13.537 -10.539 1.00 0.00 H new ATOM 308 N ALA A 21 1.102 8.136 -5.406 1.00 0.00 N ATOM 309 CA ALA A 21 1.693 7.504 -4.239 1.00 0.00 C ATOM 310 C ALA A 21 1.724 5.988 -4.444 1.00 0.00 C ATOM 311 O ALA A 21 2.795 5.392 -4.530 1.00 0.00 O ATOM 312 CB ALA A 21 0.909 7.907 -2.988 1.00 0.00 C ATOM 0 H ALA A 21 0.133 8.431 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 21 2.721 7.839 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.352 7.433 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.943 8.990 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.128 7.585 -3.089 1.00 0.00 H new ATOM 318 N GLU A 22 0.534 5.409 -4.519 1.00 0.00 N ATOM 319 CA GLU A 22 0.411 3.975 -4.713 1.00 0.00 C ATOM 320 C GLU A 22 1.534 3.464 -5.617 1.00 0.00 C ATOM 321 O GLU A 22 2.096 2.396 -5.373 1.00 0.00 O ATOM 322 CB GLU A 22 -0.961 3.615 -5.287 1.00 0.00 C ATOM 323 CG GLU A 22 -1.527 2.363 -4.612 1.00 0.00 C ATOM 324 CD GLU A 22 -0.662 1.139 -4.919 1.00 0.00 C ATOM 325 OE1 GLU A 22 -0.223 1.030 -6.085 1.00 0.00 O ATOM 326 OE2 GLU A 22 -0.460 0.337 -3.981 1.00 0.00 O ATOM 0 H GLU A 22 -0.353 5.908 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 22 0.502 3.488 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.648 4.450 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.877 3.447 -6.361 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.577 2.517 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.546 2.189 -4.956 1.00 0.00 H new ATOM 331 N ASP A 23 1.829 4.248 -6.643 1.00 0.00 N ATOM 332 CA ASP A 23 2.875 3.887 -7.585 1.00 0.00 C ATOM 333 C ASP A 23 4.236 3.997 -6.896 1.00 0.00 C ATOM 334 O ASP A 23 4.965 3.012 -6.792 1.00 0.00 O ATOM 335 CB ASP A 23 2.879 4.830 -8.790 1.00 0.00 C ATOM 336 CG ASP A 23 2.799 4.138 -10.152 1.00 0.00 C ATOM 337 OD1 ASP A 23 1.785 3.442 -10.377 1.00 0.00 O ATOM 338 OD2 ASP A 23 3.754 4.320 -10.938 1.00 0.00 O ATOM 0 H ASP A 23 1.362 5.132 -6.843 1.00 0.00 H new ATOM 0 HA ASP A 23 2.687 2.868 -7.924 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.037 5.517 -8.698 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.787 5.432 -8.758 1.00 0.00 H new ATOM 342 N VAL A 24 4.538 5.204 -6.439 1.00 0.00 N ATOM 343 CA VAL A 24 5.799 5.455 -5.762 1.00 0.00 C ATOM 344 C VAL A 24 5.835 4.665 -4.453 1.00 0.00 C ATOM 345 O VAL A 24 4.921 4.769 -3.636 1.00 0.00 O ATOM 346 CB VAL A 24 5.993 6.959 -5.559 1.00 0.00 C ATOM 347 CG1 VAL A 24 5.234 7.448 -4.324 1.00 0.00 C ATOM 348 CG2 VAL A 24 7.479 7.311 -5.464 1.00 0.00 C ATOM 0 H VAL A 24 3.931 6.019 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 24 6.635 5.113 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 24 5.582 7.471 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.389 8.520 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.170 7.247 -4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.602 6.926 -3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.590 8.386 -5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.925 6.784 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.983 7.014 -6.384 1.00 0.00 H new ATOM 358 N GLY A 25 6.899 3.893 -4.293 1.00 0.00 N ATOM 359 CA GLY A 25 7.067 3.086 -3.097 1.00 0.00 C ATOM 360 C GLY A 25 6.277 1.780 -3.203 1.00 0.00 C ATOM 361 O GLY A 25 6.791 0.712 -2.874 1.00 0.00 O ATOM 0 H GLY A 25 7.655 3.809 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.124 2.865 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.733 3.648 -2.225 1.00 0.00 H new ATOM 365 N SER A 26 5.041 1.908 -3.661 1.00 0.00 N ATOM 366 CA SER A 26 4.176 0.751 -3.814 1.00 0.00 C ATOM 367 C SER A 26 4.088 0.353 -5.288 1.00 0.00 C ATOM 368 O SER A 26 3.037 -0.082 -5.757 1.00 0.00 O ATOM 369 CB SER A 26 2.779 1.031 -3.256 1.00 0.00 C ATOM 370 OG SER A 26 2.594 0.456 -1.965 1.00 0.00 O ATOM 0 H SER A 26 4.618 2.796 -3.931 1.00 0.00 H new ATOM 0 HA SER A 26 4.607 -0.075 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.621 2.108 -3.199 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.029 0.634 -3.940 1.00 0.00 H new ATOM 0 HG SER A 26 1.691 0.659 -1.643 1.00 0.00 H new ATOM 375 N ASN A 27 5.207 0.518 -5.980 1.00 0.00 N ATOM 376 CA ASN A 27 5.270 0.181 -7.392 1.00 0.00 C ATOM 377 C ASN A 27 5.540 -1.316 -7.544 1.00 0.00 C ATOM 378 O ASN A 27 4.845 -2.004 -8.289 1.00 0.00 O ATOM 379 CB ASN A 27 6.402 0.940 -8.089 1.00 0.00 C ATOM 380 CG ASN A 27 5.851 1.882 -9.160 1.00 0.00 C ATOM 381 OD1 ASN A 27 5.921 3.097 -9.052 1.00 0.00 O ATOM 382 ND2 ASN A 27 5.301 1.260 -10.199 1.00 0.00 N ATOM 0 H ASN A 27 6.076 0.880 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 27 4.318 0.455 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.969 1.511 -7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.094 0.231 -8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.906 1.802 -10.967 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.275 0.241 -10.228 1.00 0.00 H new ATOM 388 N LYS A 28 6.554 -1.778 -6.824 1.00 0.00 N ATOM 389 CA LYS A 28 6.926 -3.181 -6.870 1.00 0.00 C ATOM 390 C LYS A 28 5.666 -4.042 -6.751 1.00 0.00 C ATOM 391 O LYS A 28 5.217 -4.631 -7.733 1.00 0.00 O ATOM 392 CB LYS A 28 7.984 -3.490 -5.809 1.00 0.00 C ATOM 393 CG LYS A 28 9.391 -3.214 -6.341 1.00 0.00 C ATOM 394 CD LYS A 28 9.821 -4.293 -7.338 1.00 0.00 C ATOM 395 CE LYS A 28 11.219 -4.004 -7.888 1.00 0.00 C ATOM 396 NZ LYS A 28 11.206 -2.775 -8.714 1.00 0.00 N ATOM 0 H LYS A 28 7.128 -1.205 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 28 7.388 -3.421 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.802 -2.884 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.905 -4.534 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.416 -2.237 -6.824 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.097 -3.178 -5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.812 -5.268 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.106 -4.341 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.924 -3.889 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.563 -4.848 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.077 -2.728 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.382 -2.792 -9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.150 -1.941 -8.095 1.00 0.00 H new ATOM 406 N GLY A 29 5.130 -4.088 -5.539 1.00 0.00 N ATOM 407 CA GLY A 29 3.933 -4.867 -5.279 1.00 0.00 C ATOM 408 C GLY A 29 2.894 -4.660 -6.383 1.00 0.00 C ATOM 409 O GLY A 29 2.136 -5.574 -6.706 1.00 0.00 O ATOM 0 H GLY A 29 5.504 -3.598 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.190 -5.924 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.509 -4.579 -4.317 1.00 0.00 H new ATOM 413 N ALA A 30 2.895 -3.455 -6.935 1.00 0.00 N ATOM 414 CA ALA A 30 1.962 -3.119 -7.997 1.00 0.00 C ATOM 415 C ALA A 30 2.089 -4.143 -9.126 1.00 0.00 C ATOM 416 O ALA A 30 1.261 -4.178 -10.035 1.00 0.00 O ATOM 417 CB ALA A 30 2.227 -1.688 -8.474 1.00 0.00 C ATOM 0 H ALA A 30 3.527 -2.700 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 30 0.935 -3.157 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.528 -1.435 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.095 -0.997 -7.642 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.248 -1.613 -8.849 1.00 0.00 H new ATOM 423 N ILE A 31 3.135 -4.951 -9.032 1.00 0.00 N ATOM 424 CA ILE A 31 3.382 -5.974 -10.035 1.00 0.00 C ATOM 425 C ILE A 31 2.450 -7.162 -9.786 1.00 0.00 C ATOM 426 O ILE A 31 2.276 -8.011 -10.658 1.00 0.00 O ATOM 427 CB ILE A 31 4.865 -6.350 -10.061 1.00 0.00 C ATOM 428 CG1 ILE A 31 5.686 -5.292 -10.799 1.00 0.00 C ATOM 429 CG2 ILE A 31 5.065 -7.747 -10.654 1.00 0.00 C ATOM 430 CD1 ILE A 31 6.703 -4.637 -9.863 1.00 0.00 C ATOM 0 H ILE A 31 3.821 -4.918 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 31 3.155 -5.594 -11.031 1.00 0.00 H new ATOM 0 HB ILE A 31 5.228 -6.380 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.204 -5.751 -11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.021 -4.532 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.127 -7.990 -10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.529 -8.479 -10.050 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.681 -7.768 -11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.274 -3.888 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.180 -4.159 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.381 -5.396 -9.474 1.00 0.00 H new ATOM 441 N ILE A 32 1.877 -7.183 -8.591 1.00 0.00 N ATOM 442 CA ILE A 32 0.967 -8.252 -8.217 1.00 0.00 C ATOM 443 C ILE A 32 1.489 -9.578 -8.773 1.00 0.00 C ATOM 444 O ILE A 32 2.356 -10.211 -8.170 1.00 0.00 O ATOM 445 CB ILE A 32 -0.459 -7.921 -8.658 1.00 0.00 C ATOM 446 CG1 ILE A 32 -1.063 -6.821 -7.780 1.00 0.00 C ATOM 447 CG2 ILE A 32 -1.333 -9.178 -8.680 1.00 0.00 C ATOM 448 CD1 ILE A 32 -2.400 -6.340 -8.348 1.00 0.00 C ATOM 0 H ILE A 32 2.025 -6.477 -7.870 1.00 0.00 H new ATOM 0 HA ILE A 32 0.925 -8.354 -7.133 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.420 -7.537 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.208 -7.197 -6.767 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.370 -5.983 -7.712 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.342 -8.914 -8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.911 -9.902 -9.377 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.369 -9.614 -7.682 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.808 -5.559 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.247 -5.942 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.099 -7.176 -8.392 1.00 0.00 H new ATOM 459 N GLY A 33 0.941 -9.961 -9.916 1.00 0.00 N ATOM 460 CA GLY A 33 1.341 -11.202 -10.561 1.00 0.00 C ATOM 461 C GLY A 33 1.692 -12.269 -9.524 1.00 0.00 C ATOM 462 O GLY A 33 2.856 -12.426 -9.157 1.00 0.00 O ATOM 0 H GLY A 33 0.223 -9.434 -10.413 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.534 -11.561 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.200 -11.020 -11.206 1.00 0.00 H new ATOM 466 N LEU A 34 0.665 -12.978 -9.078 1.00 0.00 N ATOM 467 CA LEU A 34 0.850 -14.026 -8.089 1.00 0.00 C ATOM 468 C LEU A 34 1.695 -13.488 -6.933 1.00 0.00 C ATOM 469 O LEU A 34 2.289 -14.261 -6.182 1.00 0.00 O ATOM 470 CB LEU A 34 1.432 -15.282 -8.743 1.00 0.00 C ATOM 471 CG LEU A 34 1.149 -16.603 -8.026 1.00 0.00 C ATOM 472 CD1 LEU A 34 0.223 -17.492 -8.857 1.00 0.00 C ATOM 473 CD2 LEU A 34 2.453 -17.318 -7.662 1.00 0.00 C ATOM 0 H LEU A 34 -0.299 -12.847 -9.384 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.110 -14.327 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.043 -15.352 -9.759 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.512 -15.159 -8.823 1.00 0.00 H new ATOM 0 HG LEU A 34 0.630 -16.381 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.039 -18.424 -8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.723 -16.976 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.692 -17.710 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.225 -18.255 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.019 -17.527 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.045 -16.682 -7.004 1.00 0.00 H new ATOM 484 N MET A 35 1.723 -12.167 -6.828 1.00 0.00 N ATOM 485 CA MET A 35 2.486 -11.518 -5.776 1.00 0.00 C ATOM 486 C MET A 35 3.941 -11.988 -5.782 1.00 0.00 C ATOM 487 O MET A 35 4.675 -11.764 -4.821 1.00 0.00 O ATOM 488 CB MET A 35 1.854 -11.832 -4.418 1.00 0.00 C ATOM 489 CG MET A 35 2.621 -12.945 -3.700 1.00 0.00 C ATOM 490 SD MET A 35 3.567 -12.262 -2.351 1.00 0.00 S ATOM 491 CE MET A 35 2.454 -12.593 -0.993 1.00 0.00 C ATOM 0 H MET A 35 1.230 -11.530 -7.454 1.00 0.00 H new ATOM 0 HA MET A 35 2.471 -10.443 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.846 -10.934 -3.800 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.815 -12.132 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.924 -13.694 -3.324 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.285 -13.451 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.893 -12.227 -0.065 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.505 -12.087 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.284 -13.667 -0.915 1.00 0.00 H new ATOM 499 N VAL A 36 4.317 -12.632 -6.877 1.00 0.00 N ATOM 500 CA VAL A 36 5.671 -13.135 -7.023 1.00 0.00 C ATOM 501 C VAL A 36 6.660 -11.977 -6.880 1.00 0.00 C ATOM 502 O VAL A 36 7.840 -12.193 -6.608 1.00 0.00 O ATOM 503 CB VAL A 36 5.813 -13.881 -8.351 1.00 0.00 C ATOM 504 CG1 VAL A 36 7.277 -13.946 -8.791 1.00 0.00 C ATOM 505 CG2 VAL A 36 5.206 -15.283 -8.260 1.00 0.00 C ATOM 0 H VAL A 36 3.706 -12.817 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 36 5.897 -13.854 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 36 5.260 -13.324 -9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.349 -14.482 -9.738 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.665 -12.935 -8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.862 -14.468 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.320 -15.792 -9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.718 -15.851 -7.484 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.147 -15.206 -8.014 1.00 0.00 H new ATOM 515 N GLY A 37 6.142 -10.772 -7.070 1.00 0.00 N ATOM 516 CA GLY A 37 6.964 -9.579 -6.964 1.00 0.00 C ATOM 517 C GLY A 37 7.291 -9.264 -5.503 1.00 0.00 C ATOM 518 O GLY A 37 8.010 -8.309 -5.216 1.00 0.00 O ATOM 0 H GLY A 37 5.163 -10.597 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.888 -9.719 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.443 -8.734 -7.414 1.00 0.00 H new ATOM 522 N GLY A 38 6.745 -10.086 -4.619 1.00 0.00 N ATOM 523 CA GLY A 38 6.969 -9.908 -3.194 1.00 0.00 C ATOM 524 C GLY A 38 7.626 -11.147 -2.583 1.00 0.00 C ATOM 525 O GLY A 38 8.797 -11.423 -2.839 1.00 0.00 O ATOM 0 H GLY A 38 6.148 -10.877 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.603 -9.037 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.020 -9.712 -2.695 1.00 0.00 H new ATOM 529 N VAL A 39 6.845 -11.859 -1.786 1.00 0.00 N ATOM 530 CA VAL A 39 7.335 -13.063 -1.136 1.00 0.00 C ATOM 531 C VAL A 39 7.972 -13.979 -2.183 1.00 0.00 C ATOM 532 O VAL A 39 8.734 -14.882 -1.841 1.00 0.00 O ATOM 533 CB VAL A 39 6.203 -13.738 -0.361 1.00 0.00 C ATOM 534 CG1 VAL A 39 6.423 -15.250 -0.273 1.00 0.00 C ATOM 535 CG2 VAL A 39 6.049 -13.124 1.033 1.00 0.00 C ATOM 0 H VAL A 39 5.875 -11.626 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 39 8.107 -12.816 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 39 5.275 -13.566 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.604 -15.705 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.458 -15.672 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.364 -15.452 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.237 -13.623 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.977 -13.250 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.823 -12.062 0.940 1.00 0.00 H new ATOM 545 N VAL A 40 7.636 -13.715 -3.437 1.00 0.00 N ATOM 546 CA VAL A 40 8.165 -14.504 -4.536 1.00 0.00 C ATOM 547 C VAL A 40 7.831 -15.979 -4.306 1.00 0.00 C ATOM 548 O VAL A 40 7.299 -16.344 -3.259 1.00 0.00 O ATOM 549 CB VAL A 40 9.666 -14.248 -4.688 1.00 0.00 C ATOM 550 CG1 VAL A 40 10.473 -15.505 -4.355 1.00 0.00 C ATOM 551 CG2 VAL A 40 9.996 -13.741 -6.094 1.00 0.00 C ATOM 0 H VAL A 40 7.003 -12.965 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 40 7.701 -14.208 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 40 9.947 -13.471 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.536 -15.296 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.272 -15.804 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.186 -16.311 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.069 -13.567 -6.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.692 -14.486 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.462 -12.809 -6.279 1.00 0.00 H new ATOM 561 N ILE A 41 8.155 -16.789 -5.303 1.00 0.00 N ATOM 562 CA ILE A 41 7.896 -18.216 -5.223 1.00 0.00 C ATOM 563 C ILE A 41 8.570 -18.784 -3.972 1.00 0.00 C ATOM 564 O ILE A 41 8.990 -18.031 -3.093 1.00 0.00 O ATOM 565 CB ILE A 41 8.320 -18.912 -6.518 1.00 0.00 C ATOM 566 CG1 ILE A 41 7.269 -19.930 -6.962 1.00 0.00 C ATOM 567 CG2 ILE A 41 9.705 -19.545 -6.373 1.00 0.00 C ATOM 568 CD1 ILE A 41 5.898 -19.269 -7.123 1.00 0.00 C ATOM 0 H ILE A 41 8.595 -16.484 -6.171 1.00 0.00 H new ATOM 0 HA ILE A 41 6.827 -18.403 -5.123 1.00 0.00 H new ATOM 0 HB ILE A 41 8.391 -18.159 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.572 -20.382 -7.906 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.205 -20.735 -6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.982 -20.033 -7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.436 -18.771 -6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.686 -20.283 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.169 -20.015 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.587 -18.839 -6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.960 -18.481 -7.874 1.00 0.00 H new ATOM 579 N ALA A 42 8.652 -20.105 -3.931 1.00 0.00 N ATOM 580 CA ALA A 42 9.269 -20.782 -2.801 1.00 0.00 C ATOM 581 C ALA A 42 10.623 -20.136 -2.502 1.00 0.00 C ATOM 582 O ALA A 42 11.444 -20.708 -1.786 1.00 0.00 O ATOM 583 CB ALA A 42 9.391 -22.276 -3.105 1.00 0.00 C ATOM 0 H ALA A 42 8.302 -20.726 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 42 8.651 -20.680 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.853 -22.783 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.400 -22.694 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.007 -22.417 -3.993 1.00 0.00 H new TER 589 ALA A 42