USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 520 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 34:sc= 0.535 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 61:sc= 0.542 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 162:sc= -0.0234 (180deg=-0.284) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 139:sc= 0.442 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 177:sc= -0.325 USER MOD Single : A 24 ASN : amide:sc= -2.72! C(o=-2.7!,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.939! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc=-2.23e-05 K(o=-2.2e-05,f=-0.74) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -106:sc= 0.0259 (180deg=-0.0993) USER MOD Single : A 64 SER OG : rot 180:sc= -0.185 USER MOD Single : A 65 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.016) USER MOD Single : A 71 SER OG : rot 25:sc= 0.601 USER MOD Single : A 74 SER OG : rot 44:sc= 0.74 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.197 -25.454 10.526 1.00 0.00 N ATOM 2 CA GLY A 1 1.109 -25.467 11.486 1.00 0.00 C ATOM 3 C GLY A 1 -0.036 -24.561 11.077 1.00 0.00 C ATOM 4 O GLY A 1 -0.964 -24.993 10.394 1.00 0.00 O ATOM 0 H1 GLY A 1 2.954 -26.088 10.851 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.848 -25.777 9.601 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.570 -24.487 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.740 -26.486 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.485 -25.155 12.461 1.00 0.00 H new ATOM 8 N SER A 2 0.028 -23.302 11.498 1.00 0.00 N ATOM 9 CA SER A 2 -1.014 -22.334 11.176 1.00 0.00 C ATOM 10 C SER A 2 -0.425 -21.114 10.477 1.00 0.00 C ATOM 11 O SER A 2 0.402 -20.399 11.043 1.00 0.00 O ATOM 12 CB SER A 2 -1.749 -21.903 12.447 1.00 0.00 C ATOM 13 OG SER A 2 -0.864 -21.279 13.361 1.00 0.00 O ATOM 0 H SER A 2 0.791 -22.928 12.063 1.00 0.00 H new ATOM 0 HA SER A 2 -1.723 -22.811 10.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.555 -21.216 12.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.209 -22.772 12.917 1.00 0.00 H new ATOM 0 HG SER A 2 -0.179 -20.783 12.866 1.00 0.00 H new ATOM 19 N SER A 3 -0.856 -20.882 9.241 1.00 0.00 N ATOM 20 CA SER A 3 -0.369 -19.750 8.461 1.00 0.00 C ATOM 21 C SER A 3 -1.517 -18.823 8.073 1.00 0.00 C ATOM 22 O SER A 3 -2.571 -19.275 7.628 1.00 0.00 O ATOM 23 CB SER A 3 0.351 -20.242 7.204 1.00 0.00 C ATOM 24 OG SER A 3 0.672 -19.162 6.344 1.00 0.00 O ATOM 0 H SER A 3 -1.541 -21.463 8.758 1.00 0.00 H new ATOM 0 HA SER A 3 0.334 -19.191 9.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.262 -20.770 7.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.280 -20.956 6.676 1.00 0.00 H new ATOM 0 HG SER A 3 1.133 -19.503 5.549 1.00 0.00 H new ATOM 30 N GLY A 4 -1.304 -17.522 8.247 1.00 0.00 N ATOM 31 CA GLY A 4 -2.329 -16.551 7.911 1.00 0.00 C ATOM 32 C GLY A 4 -2.591 -16.477 6.420 1.00 0.00 C ATOM 33 O GLY A 4 -3.733 -16.597 5.977 1.00 0.00 O ATOM 0 H GLY A 4 -0.440 -17.123 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.254 -16.810 8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.027 -15.568 8.273 1.00 0.00 H new ATOM 37 N SER A 5 -1.531 -16.277 5.643 1.00 0.00 N ATOM 38 CA SER A 5 -1.652 -16.182 4.193 1.00 0.00 C ATOM 39 C SER A 5 -2.931 -15.447 3.803 1.00 0.00 C ATOM 40 O SER A 5 -3.640 -15.858 2.884 1.00 0.00 O ATOM 41 CB SER A 5 -1.640 -17.577 3.566 1.00 0.00 C ATOM 42 OG SER A 5 -2.877 -18.238 3.769 1.00 0.00 O ATOM 0 H SER A 5 -0.578 -16.178 5.994 1.00 0.00 H new ATOM 0 HA SER A 5 -0.799 -15.617 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.438 -17.497 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.833 -18.167 4.000 1.00 0.00 H new ATOM 0 HG SER A 5 -3.595 -17.726 3.343 1.00 0.00 H new ATOM 48 N SER A 6 -3.219 -14.357 4.508 1.00 0.00 N ATOM 49 CA SER A 6 -4.414 -13.566 4.238 1.00 0.00 C ATOM 50 C SER A 6 -4.081 -12.078 4.192 1.00 0.00 C ATOM 51 O SER A 6 -3.227 -11.598 4.936 1.00 0.00 O ATOM 52 CB SER A 6 -5.477 -13.830 5.306 1.00 0.00 C ATOM 53 OG SER A 6 -6.547 -12.907 5.199 1.00 0.00 O ATOM 0 H SER A 6 -2.641 -14.002 5.270 1.00 0.00 H new ATOM 0 HA SER A 6 -4.805 -13.863 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.857 -14.846 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.028 -13.758 6.297 1.00 0.00 H new ATOM 0 HG SER A 6 -7.214 -13.098 5.891 1.00 0.00 H new ATOM 59 N GLY A 7 -4.764 -11.352 3.312 1.00 0.00 N ATOM 60 CA GLY A 7 -4.528 -9.926 3.183 1.00 0.00 C ATOM 61 C GLY A 7 -5.800 -9.150 2.907 1.00 0.00 C ATOM 62 O GLY A 7 -6.829 -9.734 2.564 1.00 0.00 O ATOM 0 H GLY A 7 -5.477 -11.726 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.070 -9.553 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.817 -9.750 2.376 1.00 0.00 H new ATOM 66 N ARG A 8 -5.731 -7.832 3.057 1.00 0.00 N ATOM 67 CA ARG A 8 -6.888 -6.975 2.823 1.00 0.00 C ATOM 68 C ARG A 8 -6.657 -6.066 1.620 1.00 0.00 C ATOM 69 O ARG A 8 -5.523 -5.692 1.321 1.00 0.00 O ATOM 70 CB ARG A 8 -7.182 -6.131 4.065 1.00 0.00 C ATOM 71 CG ARG A 8 -6.212 -4.978 4.262 1.00 0.00 C ATOM 72 CD ARG A 8 -6.557 -4.165 5.500 1.00 0.00 C ATOM 73 NE ARG A 8 -5.921 -4.700 6.701 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.157 -4.239 7.924 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.009 -3.240 8.107 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.539 -4.778 8.968 1.00 0.00 N ATOM 0 H ARG A 8 -4.887 -7.334 3.339 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.746 -7.614 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.195 -5.734 3.993 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.153 -6.773 4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.197 -5.366 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.230 -4.332 3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.244 -3.131 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.638 -4.154 5.637 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.260 -5.469 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.485 -2.823 7.307 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.188 -2.888 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.883 -5.547 8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.721 -4.424 9.907 1.00 0.00 H new ATOM 90 N ARG A 9 -7.739 -5.714 0.934 1.00 0.00 N ATOM 91 CA ARG A 9 -7.655 -4.851 -0.238 1.00 0.00 C ATOM 92 C ARG A 9 -7.885 -3.392 0.145 1.00 0.00 C ATOM 93 O ARG A 9 -8.994 -3.004 0.511 1.00 0.00 O ATOM 94 CB ARG A 9 -8.678 -5.281 -1.290 1.00 0.00 C ATOM 95 CG ARG A 9 -8.249 -6.495 -2.097 1.00 0.00 C ATOM 96 CD ARG A 9 -9.364 -6.981 -3.009 1.00 0.00 C ATOM 97 NE ARG A 9 -9.535 -6.115 -4.173 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.398 -6.362 -5.152 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.165 -7.443 -5.107 1.00 0.00 N ATOM 100 NH2 ARG A 9 -10.496 -5.527 -6.179 1.00 0.00 N ATOM 0 H ARG A 9 -8.685 -6.013 1.170 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.653 -4.946 -0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.624 -5.500 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.859 -4.449 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.372 -6.245 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.955 -7.298 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.144 -7.996 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.298 -7.024 -2.449 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.960 -5.275 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.093 -8.087 -4.319 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.827 -7.630 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.908 -4.694 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.159 -5.718 -6.930 1.00 0.00 H new ATOM 114 N MET A 10 -6.829 -2.589 0.057 1.00 0.00 N ATOM 115 CA MET A 10 -6.917 -1.173 0.394 1.00 0.00 C ATOM 116 C MET A 10 -7.060 -0.323 -0.865 1.00 0.00 C ATOM 117 O MET A 10 -6.565 -0.687 -1.932 1.00 0.00 O ATOM 118 CB MET A 10 -5.680 -0.736 1.180 1.00 0.00 C ATOM 119 CG MET A 10 -5.291 -1.701 2.288 1.00 0.00 C ATOM 120 SD MET A 10 -4.249 -0.934 3.544 1.00 0.00 S ATOM 121 CE MET A 10 -5.445 0.091 4.396 1.00 0.00 C ATOM 0 H MET A 10 -5.904 -2.895 -0.244 1.00 0.00 H new ATOM 0 HA MET A 10 -7.802 -1.027 1.013 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.842 -0.629 0.492 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.864 0.247 1.614 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.194 -2.090 2.759 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.765 -2.552 1.855 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.051 0.376 5.372 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.640 0.988 3.808 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.373 -0.466 4.528 1.00 0.00 H new ATOM 131 N VAL A 11 -7.742 0.811 -0.734 1.00 0.00 N ATOM 132 CA VAL A 11 -7.949 1.713 -1.861 1.00 0.00 C ATOM 133 C VAL A 11 -7.097 2.969 -1.724 1.00 0.00 C ATOM 134 O VAL A 11 -7.253 3.737 -0.774 1.00 0.00 O ATOM 135 CB VAL A 11 -9.429 2.121 -1.988 1.00 0.00 C ATOM 136 CG1 VAL A 11 -9.884 2.872 -0.746 1.00 0.00 C ATOM 137 CG2 VAL A 11 -9.645 2.961 -3.238 1.00 0.00 C ATOM 0 H VAL A 11 -8.160 1.127 0.141 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.650 1.172 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.031 1.217 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.932 3.152 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.767 2.233 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.279 3.770 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.696 3.240 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.033 3.861 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.360 2.384 -4.118 1.00 0.00 H new ATOM 147 N ALA A 12 -6.195 3.173 -2.679 1.00 0.00 N ATOM 148 CA ALA A 12 -5.319 4.338 -2.666 1.00 0.00 C ATOM 149 C ALA A 12 -6.125 5.629 -2.569 1.00 0.00 C ATOM 150 O ALA A 12 -6.913 5.949 -3.460 1.00 0.00 O ATOM 151 CB ALA A 12 -4.442 4.352 -3.909 1.00 0.00 C ATOM 0 H ALA A 12 -6.052 2.547 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.680 4.273 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.793 5.227 -3.886 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.832 3.449 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.072 4.390 -4.798 1.00 0.00 H new ATOM 157 N LEU A 13 -5.922 6.367 -1.484 1.00 0.00 N ATOM 158 CA LEU A 13 -6.630 7.625 -1.270 1.00 0.00 C ATOM 159 C LEU A 13 -6.059 8.728 -2.155 1.00 0.00 C ATOM 160 O LEU A 13 -6.799 9.555 -2.688 1.00 0.00 O ATOM 161 CB LEU A 13 -6.544 8.038 0.200 1.00 0.00 C ATOM 162 CG LEU A 13 -7.222 7.102 1.201 1.00 0.00 C ATOM 163 CD1 LEU A 13 -6.795 7.439 2.621 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.736 7.181 1.065 1.00 0.00 C ATOM 0 H LEU A 13 -5.273 6.117 -0.738 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.676 7.475 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.492 8.126 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.984 9.030 0.304 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.910 6.081 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.288 6.762 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.714 7.330 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.077 8.466 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.202 6.508 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.066 8.202 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.026 6.889 0.056 1.00 0.00 H new ATOM 176 N TYR A 14 -4.740 8.733 -2.308 1.00 0.00 N ATOM 177 CA TYR A 14 -4.069 9.735 -3.128 1.00 0.00 C ATOM 178 C TYR A 14 -2.897 9.121 -3.888 1.00 0.00 C ATOM 179 O TYR A 14 -2.173 8.277 -3.359 1.00 0.00 O ATOM 180 CB TYR A 14 -3.576 10.891 -2.256 1.00 0.00 C ATOM 181 CG TYR A 14 -4.590 11.353 -1.234 1.00 0.00 C ATOM 182 CD1 TYR A 14 -4.748 10.679 -0.029 1.00 0.00 C ATOM 183 CD2 TYR A 14 -5.389 12.464 -1.472 1.00 0.00 C ATOM 184 CE1 TYR A 14 -5.673 11.097 0.907 1.00 0.00 C ATOM 185 CE2 TYR A 14 -6.316 12.891 -0.540 1.00 0.00 C ATOM 186 CZ TYR A 14 -6.455 12.203 0.647 1.00 0.00 C ATOM 187 OH TYR A 14 -7.377 12.624 1.578 1.00 0.00 O ATOM 0 H TYR A 14 -4.114 8.054 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.789 10.116 -3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.666 10.584 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.310 11.731 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.137 9.813 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.284 13.004 -2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.784 10.561 1.838 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.928 13.758 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.844 13.417 1.241 1.00 0.00 H new ATOM 197 N ASP A 15 -2.716 9.552 -5.131 1.00 0.00 N ATOM 198 CA ASP A 15 -1.631 9.047 -5.965 1.00 0.00 C ATOM 199 C ASP A 15 -0.298 9.122 -5.227 1.00 0.00 C ATOM 200 O ASP A 15 0.150 10.203 -4.842 1.00 0.00 O ATOM 201 CB ASP A 15 -1.551 9.841 -7.270 1.00 0.00 C ATOM 202 CG ASP A 15 -1.857 11.312 -7.072 1.00 0.00 C ATOM 203 OD1 ASP A 15 -1.524 11.849 -5.995 1.00 0.00 O ATOM 204 OD2 ASP A 15 -2.430 11.928 -7.996 1.00 0.00 O ATOM 0 H ASP A 15 -3.306 10.250 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.839 8.002 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.553 9.735 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.252 9.421 -7.991 1.00 0.00 H new ATOM 209 N TYR A 16 0.330 7.968 -5.032 1.00 0.00 N ATOM 210 CA TYR A 16 1.610 7.902 -4.337 1.00 0.00 C ATOM 211 C TYR A 16 2.769 7.892 -5.329 1.00 0.00 C ATOM 212 O TYR A 16 2.596 7.553 -6.500 1.00 0.00 O ATOM 213 CB TYR A 16 1.670 6.656 -3.453 1.00 0.00 C ATOM 214 CG TYR A 16 3.001 6.469 -2.759 1.00 0.00 C ATOM 215 CD1 TYR A 16 3.405 7.330 -1.746 1.00 0.00 C ATOM 216 CD2 TYR A 16 3.854 5.433 -3.118 1.00 0.00 C ATOM 217 CE1 TYR A 16 4.620 7.163 -1.110 1.00 0.00 C ATOM 218 CE2 TYR A 16 5.070 5.258 -2.487 1.00 0.00 C ATOM 219 CZ TYR A 16 5.449 6.126 -1.484 1.00 0.00 C ATOM 220 OH TYR A 16 6.661 5.957 -0.853 1.00 0.00 O ATOM 0 H TYR A 16 -0.027 7.065 -5.346 1.00 0.00 H new ATOM 0 HA TYR A 16 1.700 8.789 -3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.883 6.716 -2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.461 5.777 -4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.758 8.143 -1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.561 4.753 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.919 7.841 -0.324 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.721 4.446 -2.777 1.00 0.00 H new ATOM 0 HH TYR A 16 6.815 5.003 -0.690 1.00 0.00 H new ATOM 230 N ASP A 17 3.950 8.267 -4.852 1.00 0.00 N ATOM 231 CA ASP A 17 5.140 8.301 -5.695 1.00 0.00 C ATOM 232 C ASP A 17 6.407 8.232 -4.849 1.00 0.00 C ATOM 233 O ASP A 17 6.806 9.202 -4.204 1.00 0.00 O ATOM 234 CB ASP A 17 5.150 9.569 -6.549 1.00 0.00 C ATOM 235 CG ASP A 17 4.455 9.375 -7.882 1.00 0.00 C ATOM 236 OD1 ASP A 17 5.101 8.860 -8.819 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.265 9.736 -7.989 1.00 0.00 O ATOM 0 H ASP A 17 4.110 8.552 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 17 5.115 7.431 -6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.662 10.376 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.181 9.879 -6.722 1.00 0.00 H new ATOM 242 N PRO A 18 7.057 7.058 -4.849 1.00 0.00 N ATOM 243 CA PRO A 18 8.288 6.835 -4.086 1.00 0.00 C ATOM 244 C PRO A 18 9.474 7.602 -4.661 1.00 0.00 C ATOM 245 O PRO A 18 10.588 7.522 -4.143 1.00 0.00 O ATOM 246 CB PRO A 18 8.515 5.326 -4.213 1.00 0.00 C ATOM 247 CG PRO A 18 7.827 4.945 -5.478 1.00 0.00 C ATOM 248 CD PRO A 18 6.639 5.859 -5.595 1.00 0.00 C ATOM 0 HA PRO A 18 8.198 7.182 -3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.578 5.087 -4.253 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.100 4.790 -3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 18 8.493 5.059 -6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.515 3.901 -5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.412 6.092 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.743 5.411 -5.166 1.00 0.00 H new ATOM 256 N ARG A 19 9.227 8.347 -5.734 1.00 0.00 N ATOM 257 CA ARG A 19 10.275 9.128 -6.380 1.00 0.00 C ATOM 258 C ARG A 19 10.315 10.548 -5.823 1.00 0.00 C ATOM 259 O ARG A 19 11.363 11.193 -5.819 1.00 0.00 O ATOM 260 CB ARG A 19 10.051 9.168 -7.893 1.00 0.00 C ATOM 261 CG ARG A 19 10.262 7.827 -8.576 1.00 0.00 C ATOM 262 CD ARG A 19 9.606 7.791 -9.947 1.00 0.00 C ATOM 263 NE ARG A 19 9.293 6.428 -10.368 1.00 0.00 N ATOM 264 CZ ARG A 19 8.993 6.096 -11.619 1.00 0.00 C ATOM 265 NH1 ARG A 19 8.965 7.023 -12.566 1.00 0.00 N ATOM 266 NH2 ARG A 19 8.720 4.833 -11.924 1.00 0.00 N ATOM 0 H ARG A 19 8.310 8.426 -6.174 1.00 0.00 H new ATOM 0 HA ARG A 19 11.232 8.648 -6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.036 9.512 -8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.728 9.901 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.330 7.633 -8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.851 7.032 -7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.691 8.383 -9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.269 8.253 -10.678 1.00 0.00 H new ATOM 0 HE ARG A 19 9.305 5.691 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.174 7.994 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.734 6.765 -13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.741 4.117 -11.198 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.490 4.579 -12.885 1.00 0.00 H new ATOM 280 N GLU A 20 9.167 11.027 -5.354 1.00 0.00 N ATOM 281 CA GLU A 20 9.073 12.371 -4.796 1.00 0.00 C ATOM 282 C GLU A 20 8.758 12.320 -3.303 1.00 0.00 C ATOM 283 O GLU A 20 9.427 12.962 -2.494 1.00 0.00 O ATOM 284 CB GLU A 20 7.997 13.177 -5.528 1.00 0.00 C ATOM 285 CG GLU A 20 6.593 12.627 -5.342 1.00 0.00 C ATOM 286 CD GLU A 20 5.601 13.217 -6.325 1.00 0.00 C ATOM 287 OE1 GLU A 20 5.952 13.344 -7.517 1.00 0.00 O ATOM 288 OE2 GLU A 20 4.474 13.551 -5.903 1.00 0.00 O ATOM 0 H GLU A 20 8.291 10.505 -5.349 1.00 0.00 H new ATOM 0 HA GLU A 20 10.038 12.860 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.024 14.208 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.232 13.198 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.613 11.543 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.258 12.833 -4.325 1.00 0.00 H new ATOM 295 N SER A 21 7.733 11.552 -2.947 1.00 0.00 N ATOM 296 CA SER A 21 7.326 11.419 -1.553 1.00 0.00 C ATOM 297 C SER A 21 8.440 10.795 -0.718 1.00 0.00 C ATOM 298 O SER A 21 8.950 11.411 0.217 1.00 0.00 O ATOM 299 CB SER A 21 6.057 10.570 -1.449 1.00 0.00 C ATOM 300 OG SER A 21 5.589 10.515 -0.113 1.00 0.00 O ATOM 0 H SER A 21 7.170 11.013 -3.604 1.00 0.00 H new ATOM 0 HA SER A 21 7.120 12.416 -1.164 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.282 10.988 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.260 9.561 -1.808 1.00 0.00 H new ATOM 0 HG SER A 21 4.777 9.968 -0.073 1.00 0.00 H new ATOM 306 N SER A 22 8.812 9.566 -1.064 1.00 0.00 N ATOM 307 CA SER A 22 9.862 8.855 -0.345 1.00 0.00 C ATOM 308 C SER A 22 11.224 9.495 -0.600 1.00 0.00 C ATOM 309 O SER A 22 11.497 10.026 -1.677 1.00 0.00 O ATOM 310 CB SER A 22 9.891 7.384 -0.765 1.00 0.00 C ATOM 311 OG SER A 22 11.130 6.783 -0.431 1.00 0.00 O ATOM 0 H SER A 22 8.402 9.043 -1.837 1.00 0.00 H new ATOM 0 HA SER A 22 9.644 8.917 0.721 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.079 6.847 -0.275 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.723 7.306 -1.839 1.00 0.00 H new ATOM 0 HG SER A 22 11.105 5.831 -0.663 1.00 0.00 H new ATOM 317 N PRO A 23 12.100 9.444 0.415 1.00 0.00 N ATOM 318 CA PRO A 23 13.448 10.013 0.326 1.00 0.00 C ATOM 319 C PRO A 23 14.348 9.226 -0.620 1.00 0.00 C ATOM 320 O PRO A 23 15.554 9.462 -0.684 1.00 0.00 O ATOM 321 CB PRO A 23 13.968 9.918 1.763 1.00 0.00 C ATOM 322 CG PRO A 23 13.200 8.796 2.370 1.00 0.00 C ATOM 323 CD PRO A 23 11.841 8.827 1.727 1.00 0.00 C ATOM 0 HA PRO A 23 13.437 11.028 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.040 9.721 1.784 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.804 10.849 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.695 7.842 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.123 8.916 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.422 7.826 1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.132 9.411 2.313 1.00 0.00 H new ATOM 331 N ASN A 24 13.754 8.290 -1.353 1.00 0.00 N ATOM 332 CA ASN A 24 14.503 7.467 -2.296 1.00 0.00 C ATOM 333 C ASN A 24 15.326 6.412 -1.563 1.00 0.00 C ATOM 334 O ASN A 24 16.517 6.244 -1.827 1.00 0.00 O ATOM 335 CB ASN A 24 15.422 8.343 -3.151 1.00 0.00 C ATOM 336 CG ASN A 24 14.851 9.730 -3.378 1.00 0.00 C ATOM 337 OD1 ASN A 24 15.304 10.706 -2.781 1.00 0.00 O ATOM 338 ND2 ASN A 24 13.850 9.822 -4.246 1.00 0.00 N ATOM 0 H ASN A 24 12.756 8.082 -1.312 1.00 0.00 H new ATOM 0 HA ASN A 24 13.789 6.959 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 24 16.394 8.428 -2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.588 7.859 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.425 10.729 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.506 8.986 -4.718 1.00 0.00 H new ATOM 345 N VAL A 25 14.683 5.704 -0.640 1.00 0.00 N ATOM 346 CA VAL A 25 15.354 4.664 0.130 1.00 0.00 C ATOM 347 C VAL A 25 14.975 3.276 -0.373 1.00 0.00 C ATOM 348 O VAL A 25 14.008 2.676 0.098 1.00 0.00 O ATOM 349 CB VAL A 25 15.012 4.766 1.629 1.00 0.00 C ATOM 350 CG1 VAL A 25 15.746 5.937 2.265 1.00 0.00 C ATOM 351 CG2 VAL A 25 13.510 4.898 1.824 1.00 0.00 C ATOM 0 H VAL A 25 13.698 5.832 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 25 16.425 4.815 -0.002 1.00 0.00 H new ATOM 0 HB VAL A 25 15.340 3.851 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 25 15.492 5.994 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 25 16.821 5.795 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 25 15.451 6.863 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.286 4.969 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.155 5.796 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.011 4.024 1.406 1.00 0.00 H new ATOM 361 N ASP A 26 15.742 2.769 -1.332 1.00 0.00 N ATOM 362 CA ASP A 26 15.487 1.450 -1.898 1.00 0.00 C ATOM 363 C ASP A 26 14.119 1.403 -2.571 1.00 0.00 C ATOM 364 O ASP A 26 13.507 0.340 -2.682 1.00 0.00 O ATOM 365 CB ASP A 26 15.572 0.379 -0.810 1.00 0.00 C ATOM 366 CG ASP A 26 17.001 -0.013 -0.492 1.00 0.00 C ATOM 367 OD1 ASP A 26 17.878 0.190 -1.358 1.00 0.00 O ATOM 368 OD2 ASP A 26 17.244 -0.523 0.622 1.00 0.00 O ATOM 0 H ASP A 26 16.546 3.252 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 26 16.249 1.251 -2.651 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.089 0.747 0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.019 -0.504 -1.130 1.00 0.00 H new ATOM 373 N VAL A 27 13.644 2.561 -3.018 1.00 0.00 N ATOM 374 CA VAL A 27 12.349 2.652 -3.680 1.00 0.00 C ATOM 375 C VAL A 27 12.159 1.514 -4.676 1.00 0.00 C ATOM 376 O VAL A 27 11.033 1.127 -4.985 1.00 0.00 O ATOM 377 CB VAL A 27 12.187 3.996 -4.416 1.00 0.00 C ATOM 378 CG1 VAL A 27 12.206 5.152 -3.427 1.00 0.00 C ATOM 379 CG2 VAL A 27 13.276 4.162 -5.464 1.00 0.00 C ATOM 0 H VAL A 27 14.137 3.450 -2.933 1.00 0.00 H new ATOM 0 HA VAL A 27 11.590 2.579 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 27 11.222 4.000 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.090 6.093 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.387 5.037 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.154 5.155 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.147 5.116 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 27 14.253 4.138 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.210 3.351 -6.189 1.00 0.00 H new ATOM 389 N GLU A 28 13.270 0.981 -5.175 1.00 0.00 N ATOM 390 CA GLU A 28 13.226 -0.114 -6.138 1.00 0.00 C ATOM 391 C GLU A 28 12.245 -1.194 -5.689 1.00 0.00 C ATOM 392 O GLU A 28 11.772 -1.992 -6.497 1.00 0.00 O ATOM 393 CB GLU A 28 14.619 -0.719 -6.320 1.00 0.00 C ATOM 394 CG GLU A 28 15.528 0.105 -7.216 1.00 0.00 C ATOM 395 CD GLU A 28 16.687 -0.701 -7.771 1.00 0.00 C ATOM 396 OE1 GLU A 28 16.445 -1.567 -8.637 1.00 0.00 O ATOM 397 OE2 GLU A 28 17.835 -0.465 -7.339 1.00 0.00 O ATOM 0 H GLU A 28 14.211 1.289 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 28 12.885 0.289 -7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.089 -0.829 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.519 -1.720 -6.740 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.945 0.513 -8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.917 0.953 -6.652 1.00 0.00 H new ATOM 404 N ALA A 29 11.945 -1.211 -4.394 1.00 0.00 N ATOM 405 CA ALA A 29 11.021 -2.190 -3.837 1.00 0.00 C ATOM 406 C ALA A 29 9.644 -1.576 -3.605 1.00 0.00 C ATOM 407 O ALA A 29 8.625 -2.255 -3.722 1.00 0.00 O ATOM 408 CB ALA A 29 11.573 -2.758 -2.538 1.00 0.00 C ATOM 0 H ALA A 29 12.329 -0.557 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 29 10.912 -3.000 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.872 -3.488 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.530 -3.242 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.712 -1.951 -1.818 1.00 0.00 H new ATOM 414 N GLU A 30 9.624 -0.289 -3.276 1.00 0.00 N ATOM 415 CA GLU A 30 8.371 0.416 -3.026 1.00 0.00 C ATOM 416 C GLU A 30 7.437 0.306 -4.228 1.00 0.00 C ATOM 417 O GLU A 30 7.886 0.200 -5.370 1.00 0.00 O ATOM 418 CB GLU A 30 8.642 1.888 -2.710 1.00 0.00 C ATOM 419 CG GLU A 30 9.116 2.127 -1.286 1.00 0.00 C ATOM 420 CD GLU A 30 9.033 3.585 -0.880 1.00 0.00 C ATOM 421 OE1 GLU A 30 9.680 4.423 -1.544 1.00 0.00 O ATOM 422 OE2 GLU A 30 8.321 3.890 0.100 1.00 0.00 O ATOM 0 H GLU A 30 10.460 0.287 -3.176 1.00 0.00 H new ATOM 0 HA GLU A 30 7.887 -0.049 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.393 2.267 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.731 2.462 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.515 1.529 -0.602 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.146 1.785 -1.188 1.00 0.00 H new ATOM 429 N LEU A 31 6.136 0.332 -3.962 1.00 0.00 N ATOM 430 CA LEU A 31 5.137 0.235 -5.020 1.00 0.00 C ATOM 431 C LEU A 31 4.598 1.614 -5.389 1.00 0.00 C ATOM 432 O LEU A 31 4.287 2.425 -4.516 1.00 0.00 O ATOM 433 CB LEU A 31 3.987 -0.673 -4.582 1.00 0.00 C ATOM 434 CG LEU A 31 4.270 -2.175 -4.609 1.00 0.00 C ATOM 435 CD1 LEU A 31 3.127 -2.946 -3.966 1.00 0.00 C ATOM 436 CD2 LEU A 31 4.498 -2.649 -6.037 1.00 0.00 C ATOM 0 H LEU A 31 5.748 0.419 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 31 5.617 -0.195 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.698 -0.396 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.129 -0.474 -5.224 1.00 0.00 H new ATOM 0 HG LEU A 31 5.177 -2.364 -4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.347 -4.013 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.010 -2.627 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.204 -2.751 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.698 -3.720 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.609 -2.446 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.350 -2.121 -6.464 1.00 0.00 H new ATOM 448 N THR A 32 4.489 1.874 -6.688 1.00 0.00 N ATOM 449 CA THR A 32 3.987 3.153 -7.173 1.00 0.00 C ATOM 450 C THR A 32 2.563 3.022 -7.699 1.00 0.00 C ATOM 451 O THR A 32 2.349 2.662 -8.857 1.00 0.00 O ATOM 452 CB THR A 32 4.885 3.723 -8.288 1.00 0.00 C ATOM 453 OG1 THR A 32 6.257 3.684 -7.880 1.00 0.00 O ATOM 454 CG2 THR A 32 4.490 5.153 -8.623 1.00 0.00 C ATOM 0 H THR A 32 4.742 1.214 -7.424 1.00 0.00 H new ATOM 0 HA THR A 32 3.995 3.837 -6.325 1.00 0.00 H new ATOM 0 HB THR A 32 4.754 3.109 -9.179 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.821 4.046 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.138 5.534 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.454 5.175 -8.962 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.595 5.777 -7.735 1.00 0.00 H new ATOM 462 N PHE A 33 1.591 3.316 -6.843 1.00 0.00 N ATOM 463 CA PHE A 33 0.185 3.230 -7.222 1.00 0.00 C ATOM 464 C PHE A 33 -0.402 4.620 -7.452 1.00 0.00 C ATOM 465 O PHE A 33 0.287 5.629 -7.300 1.00 0.00 O ATOM 466 CB PHE A 33 -0.613 2.499 -6.141 1.00 0.00 C ATOM 467 CG PHE A 33 -0.261 2.925 -4.744 1.00 0.00 C ATOM 468 CD1 PHE A 33 0.875 2.434 -4.122 1.00 0.00 C ATOM 469 CD2 PHE A 33 -1.066 3.817 -4.054 1.00 0.00 C ATOM 470 CE1 PHE A 33 1.203 2.824 -2.837 1.00 0.00 C ATOM 471 CE2 PHE A 33 -0.743 4.211 -2.769 1.00 0.00 C ATOM 472 CZ PHE A 33 0.392 3.713 -2.159 1.00 0.00 C ATOM 0 H PHE A 33 1.751 3.616 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 33 0.119 2.668 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.676 2.671 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.444 1.427 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.512 1.738 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.955 4.209 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.092 2.434 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.378 4.908 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.645 4.018 -1.154 1.00 0.00 H new ATOM 482 N CYS A 34 -1.677 4.663 -7.819 1.00 0.00 N ATOM 483 CA CYS A 34 -2.358 5.928 -8.072 1.00 0.00 C ATOM 484 C CYS A 34 -3.669 6.004 -7.297 1.00 0.00 C ATOM 485 O CYS A 34 -4.163 4.997 -6.789 1.00 0.00 O ATOM 486 CB CYS A 34 -2.626 6.097 -9.568 1.00 0.00 C ATOM 487 SG CYS A 34 -1.274 6.882 -10.476 1.00 0.00 S ATOM 0 H CYS A 34 -2.261 3.837 -7.948 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.709 6.735 -7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.822 5.117 -10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.531 6.691 -9.699 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.594 6.979 -11.732 1.00 0.00 H new ATOM 493 N THR A 35 -4.229 7.207 -7.207 1.00 0.00 N ATOM 494 CA THR A 35 -5.481 7.416 -6.492 1.00 0.00 C ATOM 495 C THR A 35 -6.558 6.451 -6.974 1.00 0.00 C ATOM 496 O THR A 35 -7.007 6.527 -8.117 1.00 0.00 O ATOM 497 CB THR A 35 -5.989 8.860 -6.659 1.00 0.00 C ATOM 498 OG1 THR A 35 -4.994 9.785 -6.207 1.00 0.00 O ATOM 499 CG2 THR A 35 -7.279 9.074 -5.880 1.00 0.00 C ATOM 0 H THR A 35 -3.834 8.051 -7.621 1.00 0.00 H new ATOM 0 HA THR A 35 -5.277 7.230 -5.437 1.00 0.00 H new ATOM 0 HB THR A 35 -6.189 9.031 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.324 10.701 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.618 10.101 -6.013 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.043 8.389 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.100 8.885 -4.821 1.00 0.00 H new ATOM 507 N GLY A 36 -6.970 5.542 -6.095 1.00 0.00 N ATOM 508 CA GLY A 36 -7.992 4.575 -6.450 1.00 0.00 C ATOM 509 C GLY A 36 -7.433 3.176 -6.617 1.00 0.00 C ATOM 510 O GLY A 36 -8.099 2.192 -6.294 1.00 0.00 O ATOM 0 H GLY A 36 -6.614 5.458 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.762 4.566 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.473 4.884 -7.378 1.00 0.00 H new ATOM 514 N ASP A 37 -6.209 3.086 -7.124 1.00 0.00 N ATOM 515 CA ASP A 37 -5.561 1.797 -7.333 1.00 0.00 C ATOM 516 C ASP A 37 -5.638 0.939 -6.074 1.00 0.00 C ATOM 517 O ASP A 37 -5.157 1.334 -5.012 1.00 0.00 O ATOM 518 CB ASP A 37 -4.100 1.996 -7.741 1.00 0.00 C ATOM 519 CG ASP A 37 -3.962 2.725 -9.063 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.921 3.419 -9.461 1.00 0.00 O ATOM 521 OD2 ASP A 37 -2.895 2.601 -9.700 1.00 0.00 O ATOM 0 H ASP A 37 -5.645 3.891 -7.398 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.087 1.280 -8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.582 2.558 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.610 1.025 -7.812 1.00 0.00 H new ATOM 526 N ILE A 38 -6.246 -0.236 -6.202 1.00 0.00 N ATOM 527 CA ILE A 38 -6.386 -1.149 -5.074 1.00 0.00 C ATOM 528 C ILE A 38 -5.106 -1.946 -4.850 1.00 0.00 C ATOM 529 O ILE A 38 -4.403 -2.291 -5.801 1.00 0.00 O ATOM 530 CB ILE A 38 -7.557 -2.128 -5.284 1.00 0.00 C ATOM 531 CG1 ILE A 38 -8.856 -1.358 -5.531 1.00 0.00 C ATOM 532 CG2 ILE A 38 -7.700 -3.048 -4.081 1.00 0.00 C ATOM 533 CD1 ILE A 38 -9.274 -0.489 -4.366 1.00 0.00 C ATOM 0 H ILE A 38 -6.649 -0.578 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.588 -0.536 -4.195 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.347 -2.740 -6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.736 -0.733 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.654 -2.068 -5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.531 -3.734 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.780 -3.618 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.891 -2.453 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.202 0.027 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.427 -1.111 -3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.494 0.245 -4.161 1.00 0.00 H new ATOM 545 N ILE A 39 -4.809 -2.237 -3.588 1.00 0.00 N ATOM 546 CA ILE A 39 -3.615 -2.997 -3.240 1.00 0.00 C ATOM 547 C ILE A 39 -3.894 -3.968 -2.098 1.00 0.00 C ATOM 548 O ILE A 39 -4.510 -3.604 -1.095 1.00 0.00 O ATOM 549 CB ILE A 39 -2.455 -2.068 -2.837 1.00 0.00 C ATOM 550 CG1 ILE A 39 -2.116 -1.112 -3.983 1.00 0.00 C ATOM 551 CG2 ILE A 39 -1.234 -2.885 -2.443 1.00 0.00 C ATOM 552 CD1 ILE A 39 -1.562 0.217 -3.518 1.00 0.00 C ATOM 0 H ILE A 39 -5.379 -1.958 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.328 -3.559 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.766 -1.477 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.389 -1.589 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.014 -0.935 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.423 -2.214 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.483 -3.528 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.920 -3.499 -3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.344 0.843 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.296 0.715 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.646 0.051 -2.951 1.00 0.00 H new ATOM 564 N THR A 40 -3.436 -5.206 -2.255 1.00 0.00 N ATOM 565 CA THR A 40 -3.636 -6.230 -1.237 1.00 0.00 C ATOM 566 C THR A 40 -2.470 -6.264 -0.256 1.00 0.00 C ATOM 567 O THR A 40 -1.414 -6.825 -0.549 1.00 0.00 O ATOM 568 CB THR A 40 -3.801 -7.625 -1.869 1.00 0.00 C ATOM 569 OG1 THR A 40 -4.875 -7.610 -2.815 1.00 0.00 O ATOM 570 CG2 THR A 40 -4.074 -8.673 -0.801 1.00 0.00 C ATOM 0 H THR A 40 -2.924 -5.524 -3.078 1.00 0.00 H new ATOM 0 HA THR A 40 -4.550 -5.971 -0.702 1.00 0.00 H new ATOM 0 HB THR A 40 -2.872 -7.881 -2.379 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.972 -8.500 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.187 -9.650 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.241 -8.702 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.990 -8.419 -0.267 1.00 0.00 H new ATOM 578 N VAL A 41 -2.667 -5.660 0.912 1.00 0.00 N ATOM 579 CA VAL A 41 -1.632 -5.623 1.938 1.00 0.00 C ATOM 580 C VAL A 41 -1.653 -6.890 2.785 1.00 0.00 C ATOM 581 O VAL A 41 -2.703 -7.502 2.980 1.00 0.00 O ATOM 582 CB VAL A 41 -1.799 -4.400 2.860 1.00 0.00 C ATOM 583 CG1 VAL A 41 -1.651 -3.110 2.067 1.00 0.00 C ATOM 584 CG2 VAL A 41 -3.144 -4.448 3.570 1.00 0.00 C ATOM 0 H VAL A 41 -3.534 -5.190 1.171 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.675 -5.551 1.420 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.014 -4.426 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.772 -2.257 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.662 -3.076 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.413 -3.072 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.245 -3.577 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.946 -4.447 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.206 -5.355 4.171 1.00 0.00 H new ATOM 594 N PHE A 42 -0.485 -7.278 3.287 1.00 0.00 N ATOM 595 CA PHE A 42 -0.368 -8.474 4.114 1.00 0.00 C ATOM 596 C PHE A 42 0.417 -8.179 5.389 1.00 0.00 C ATOM 597 O PHE A 42 1.548 -7.699 5.337 1.00 0.00 O ATOM 598 CB PHE A 42 0.314 -9.597 3.330 1.00 0.00 C ATOM 599 CG PHE A 42 -0.310 -9.855 1.988 1.00 0.00 C ATOM 600 CD1 PHE A 42 -1.499 -10.559 1.885 1.00 0.00 C ATOM 601 CD2 PHE A 42 0.294 -9.394 0.829 1.00 0.00 C ATOM 602 CE1 PHE A 42 -2.074 -10.798 0.651 1.00 0.00 C ATOM 603 CE2 PHE A 42 -0.277 -9.630 -0.408 1.00 0.00 C ATOM 604 CZ PHE A 42 -1.463 -10.332 -0.496 1.00 0.00 C ATOM 0 H PHE A 42 0.393 -6.782 3.136 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.373 -8.793 4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.365 -9.346 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.281 -10.513 3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.982 -10.925 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.221 -8.844 0.893 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.001 -11.349 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.204 -9.266 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.912 -10.516 -1.461 1.00 0.00 H new ATOM 614 N GLY A 43 -0.194 -8.471 6.533 1.00 0.00 N ATOM 615 CA GLY A 43 0.461 -8.230 7.806 1.00 0.00 C ATOM 616 C GLY A 43 0.202 -6.834 8.337 1.00 0.00 C ATOM 617 O GLY A 43 -0.446 -6.023 7.676 1.00 0.00 O ATOM 0 H GLY A 43 -1.130 -8.870 6.601 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.113 -8.963 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.535 -8.379 7.692 1.00 0.00 H new ATOM 621 N GLU A 44 0.707 -6.555 9.534 1.00 0.00 N ATOM 622 CA GLU A 44 0.523 -5.247 10.153 1.00 0.00 C ATOM 623 C GLU A 44 1.635 -4.288 9.739 1.00 0.00 C ATOM 624 O GLU A 44 2.595 -4.683 9.077 1.00 0.00 O ATOM 625 CB GLU A 44 0.491 -5.380 11.677 1.00 0.00 C ATOM 626 CG GLU A 44 1.784 -5.915 12.269 1.00 0.00 C ATOM 627 CD GLU A 44 2.001 -5.464 13.701 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.239 -5.909 14.584 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.931 -4.665 13.937 1.00 0.00 O ATOM 0 H GLU A 44 1.246 -7.216 10.094 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.429 -4.842 9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.278 -4.404 12.114 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.328 -6.041 11.958 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.772 -7.004 12.233 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.623 -5.585 11.657 1.00 0.00 H new ATOM 636 N ILE A 45 1.498 -3.027 10.135 1.00 0.00 N ATOM 637 CA ILE A 45 2.491 -2.011 9.805 1.00 0.00 C ATOM 638 C ILE A 45 3.846 -2.348 10.418 1.00 0.00 C ATOM 639 O ILE A 45 3.957 -2.558 11.626 1.00 0.00 O ATOM 640 CB ILE A 45 2.052 -0.617 10.291 1.00 0.00 C ATOM 641 CG1 ILE A 45 0.723 -0.223 9.645 1.00 0.00 C ATOM 642 CG2 ILE A 45 3.126 0.414 9.979 1.00 0.00 C ATOM 643 CD1 ILE A 45 0.167 1.088 10.156 1.00 0.00 C ATOM 0 H ILE A 45 0.710 -2.684 10.684 1.00 0.00 H new ATOM 0 HA ILE A 45 2.580 -1.997 8.719 1.00 0.00 H new ATOM 0 HB ILE A 45 1.912 -0.652 11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.859 -0.154 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.007 -1.012 9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.802 1.394 10.328 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.053 0.138 10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.294 0.450 8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.776 1.304 9.654 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.002 1.017 11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.878 1.889 9.952 1.00 0.00 H new ATOM 655 N ASP A 46 4.873 -2.396 9.578 1.00 0.00 N ATOM 656 CA ASP A 46 6.223 -2.704 10.037 1.00 0.00 C ATOM 657 C ASP A 46 6.693 -1.681 11.066 1.00 0.00 C ATOM 658 O ASP A 46 5.939 -0.793 11.461 1.00 0.00 O ATOM 659 CB ASP A 46 7.191 -2.739 8.854 1.00 0.00 C ATOM 660 CG ASP A 46 6.572 -3.358 7.617 1.00 0.00 C ATOM 661 OD1 ASP A 46 5.972 -4.447 7.735 1.00 0.00 O ATOM 662 OD2 ASP A 46 6.688 -2.755 6.529 1.00 0.00 O ATOM 0 H ASP A 46 4.797 -2.226 8.575 1.00 0.00 H new ATOM 0 HA ASP A 46 6.205 -3.686 10.510 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.517 -1.724 8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.081 -3.304 9.133 1.00 0.00 H new ATOM 667 N GLU A 47 7.944 -1.814 11.496 1.00 0.00 N ATOM 668 CA GLU A 47 8.514 -0.902 12.481 1.00 0.00 C ATOM 669 C GLU A 47 8.610 0.514 11.919 1.00 0.00 C ATOM 670 O GLU A 47 8.397 1.493 12.635 1.00 0.00 O ATOM 671 CB GLU A 47 9.899 -1.385 12.916 1.00 0.00 C ATOM 672 CG GLU A 47 9.900 -2.791 13.492 1.00 0.00 C ATOM 673 CD GLU A 47 9.382 -2.838 14.916 1.00 0.00 C ATOM 674 OE1 GLU A 47 9.780 -1.970 15.720 1.00 0.00 O ATOM 675 OE2 GLU A 47 8.579 -3.743 15.227 1.00 0.00 O ATOM 0 H GLU A 47 8.582 -2.544 11.178 1.00 0.00 H new ATOM 0 HA GLU A 47 7.854 -0.887 13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.572 -1.352 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.297 -0.696 13.661 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.286 -3.437 12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.914 -3.190 13.465 1.00 0.00 H new ATOM 682 N ASP A 48 8.933 0.613 10.635 1.00 0.00 N ATOM 683 CA ASP A 48 9.058 1.908 9.976 1.00 0.00 C ATOM 684 C ASP A 48 7.710 2.621 9.918 1.00 0.00 C ATOM 685 O ASP A 48 7.543 3.700 10.484 1.00 0.00 O ATOM 686 CB ASP A 48 9.617 1.734 8.563 1.00 0.00 C ATOM 687 CG ASP A 48 11.093 1.388 8.563 1.00 0.00 C ATOM 688 OD1 ASP A 48 11.921 2.318 8.659 1.00 0.00 O ATOM 689 OD2 ASP A 48 11.420 0.187 8.468 1.00 0.00 O ATOM 0 H ASP A 48 9.113 -0.188 10.029 1.00 0.00 H new ATOM 0 HA ASP A 48 9.748 2.519 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.063 0.948 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.462 2.653 7.998 1.00 0.00 H new ATOM 694 N GLY A 49 6.752 2.009 9.229 1.00 0.00 N ATOM 695 CA GLY A 49 5.432 2.599 9.110 1.00 0.00 C ATOM 696 C GLY A 49 4.832 2.405 7.731 1.00 0.00 C ATOM 697 O GLY A 49 4.126 3.277 7.225 1.00 0.00 O ATOM 0 H GLY A 49 6.867 1.115 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.771 2.157 9.856 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.493 3.665 9.330 1.00 0.00 H new ATOM 701 N PHE A 50 5.116 1.260 7.120 1.00 0.00 N ATOM 702 CA PHE A 50 4.602 0.955 5.790 1.00 0.00 C ATOM 703 C PHE A 50 3.926 -0.413 5.768 1.00 0.00 C ATOM 704 O PHE A 50 3.976 -1.158 6.747 1.00 0.00 O ATOM 705 CB PHE A 50 5.734 0.993 4.762 1.00 0.00 C ATOM 706 CG PHE A 50 6.369 2.347 4.618 1.00 0.00 C ATOM 707 CD1 PHE A 50 7.158 2.867 5.630 1.00 0.00 C ATOM 708 CD2 PHE A 50 6.175 3.099 3.471 1.00 0.00 C ATOM 709 CE1 PHE A 50 7.744 4.113 5.501 1.00 0.00 C ATOM 710 CE2 PHE A 50 6.758 4.344 3.336 1.00 0.00 C ATOM 711 CZ PHE A 50 7.543 4.853 4.353 1.00 0.00 C ATOM 0 H PHE A 50 5.699 0.528 7.525 1.00 0.00 H new ATOM 0 HA PHE A 50 3.860 1.711 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.498 0.271 5.049 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.345 0.678 3.794 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.318 2.293 6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.561 2.708 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.358 4.507 6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.600 4.919 2.436 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.998 5.827 4.250 1.00 0.00 H new ATOM 721 N TYR A 51 3.293 -0.735 4.646 1.00 0.00 N ATOM 722 CA TYR A 51 2.603 -2.011 4.497 1.00 0.00 C ATOM 723 C TYR A 51 3.207 -2.826 3.357 1.00 0.00 C ATOM 724 O TYR A 51 3.805 -2.275 2.432 1.00 0.00 O ATOM 725 CB TYR A 51 1.113 -1.782 4.242 1.00 0.00 C ATOM 726 CG TYR A 51 0.283 -1.732 5.505 1.00 0.00 C ATOM 727 CD1 TYR A 51 0.462 -2.670 6.514 1.00 0.00 C ATOM 728 CD2 TYR A 51 -0.680 -0.747 5.688 1.00 0.00 C ATOM 729 CE1 TYR A 51 -0.294 -2.628 7.670 1.00 0.00 C ATOM 730 CE2 TYR A 51 -1.439 -0.697 6.841 1.00 0.00 C ATOM 731 CZ TYR A 51 -1.243 -1.640 7.829 1.00 0.00 C ATOM 732 OH TYR A 51 -1.999 -1.594 8.978 1.00 0.00 O ATOM 0 H TYR A 51 3.243 -0.130 3.826 1.00 0.00 H new ATOM 0 HA TYR A 51 2.724 -2.571 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.986 -0.847 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.736 -2.579 3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.204 -3.445 6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.838 -0.008 4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.142 -3.365 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.182 0.076 6.969 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.619 -0.837 8.931 1.00 0.00 H new ATOM 742 N TYR A 52 3.044 -4.143 3.429 1.00 0.00 N ATOM 743 CA TYR A 52 3.574 -5.036 2.405 1.00 0.00 C ATOM 744 C TYR A 52 2.444 -5.684 1.611 1.00 0.00 C ATOM 745 O TYR A 52 1.814 -6.636 2.070 1.00 0.00 O ATOM 746 CB TYR A 52 4.448 -6.116 3.044 1.00 0.00 C ATOM 747 CG TYR A 52 5.550 -6.616 2.138 1.00 0.00 C ATOM 748 CD1 TYR A 52 5.288 -6.965 0.819 1.00 0.00 C ATOM 749 CD2 TYR A 52 6.855 -6.739 2.600 1.00 0.00 C ATOM 750 CE1 TYR A 52 6.292 -7.423 -0.012 1.00 0.00 C ATOM 751 CE2 TYR A 52 7.865 -7.195 1.776 1.00 0.00 C ATOM 752 CZ TYR A 52 7.579 -7.536 0.471 1.00 0.00 C ATOM 753 OH TYR A 52 8.582 -7.991 -0.354 1.00 0.00 O ATOM 0 H TYR A 52 2.549 -4.615 4.186 1.00 0.00 H new ATOM 0 HA TYR A 52 4.182 -4.444 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.892 -5.720 3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.818 -6.957 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.282 -6.877 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.083 -6.473 3.622 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.070 -7.691 -1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.874 -7.284 2.152 1.00 0.00 H new ATOM 0 HH TYR A 52 9.428 -8.010 0.140 1.00 0.00 H new ATOM 763 N GLY A 53 2.194 -5.160 0.415 1.00 0.00 N ATOM 764 CA GLY A 53 1.141 -5.700 -0.426 1.00 0.00 C ATOM 765 C GLY A 53 1.604 -5.948 -1.847 1.00 0.00 C ATOM 766 O GLY A 53 2.771 -5.732 -2.173 1.00 0.00 O ATOM 0 H GLY A 53 2.701 -4.372 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.780 -6.635 0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.299 -5.008 -0.437 1.00 0.00 H new ATOM 770 N GLU A 54 0.688 -6.405 -2.696 1.00 0.00 N ATOM 771 CA GLU A 54 1.010 -6.685 -4.090 1.00 0.00 C ATOM 772 C GLU A 54 0.151 -5.841 -5.027 1.00 0.00 C ATOM 773 O GLU A 54 -1.058 -5.709 -4.829 1.00 0.00 O ATOM 774 CB GLU A 54 0.810 -8.171 -4.394 1.00 0.00 C ATOM 775 CG GLU A 54 1.684 -8.683 -5.526 1.00 0.00 C ATOM 776 CD GLU A 54 1.078 -9.880 -6.235 1.00 0.00 C ATOM 777 OE1 GLU A 54 0.253 -9.673 -7.149 1.00 0.00 O ATOM 778 OE2 GLU A 54 1.430 -11.022 -5.875 1.00 0.00 O ATOM 0 H GLU A 54 -0.283 -6.589 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 54 2.056 -6.426 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.020 -8.749 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.236 -8.344 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.845 -7.881 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.662 -8.957 -5.130 1.00 0.00 H new ATOM 785 N LEU A 55 0.782 -5.273 -6.048 1.00 0.00 N ATOM 786 CA LEU A 55 0.077 -4.441 -7.017 1.00 0.00 C ATOM 787 C LEU A 55 0.556 -4.732 -8.435 1.00 0.00 C ATOM 788 O LEU A 55 1.747 -4.928 -8.671 1.00 0.00 O ATOM 789 CB LEU A 55 0.279 -2.960 -6.692 1.00 0.00 C ATOM 790 CG LEU A 55 -0.210 -1.968 -7.747 1.00 0.00 C ATOM 791 CD1 LEU A 55 -1.729 -1.968 -7.817 1.00 0.00 C ATOM 792 CD2 LEU A 55 0.313 -0.571 -7.448 1.00 0.00 C ATOM 0 H LEU A 55 1.781 -5.373 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.985 -4.678 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.231 -2.742 -5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.342 -2.787 -6.525 1.00 0.00 H new ATOM 0 HG LEU A 55 0.177 -2.279 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.058 -1.256 -8.573 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.081 -2.965 -8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.138 -1.683 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.045 0.122 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.044 -0.251 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.403 -0.582 -7.451 1.00 0.00 H new ATOM 804 N ASN A 56 -0.381 -4.757 -9.378 1.00 0.00 N ATOM 805 CA ASN A 56 -0.054 -5.022 -10.774 1.00 0.00 C ATOM 806 C ASN A 56 0.939 -6.175 -10.891 1.00 0.00 C ATOM 807 O ASN A 56 1.815 -6.168 -11.754 1.00 0.00 O ATOM 808 CB ASN A 56 0.525 -3.767 -11.431 1.00 0.00 C ATOM 809 CG ASN A 56 -0.477 -2.630 -11.488 1.00 0.00 C ATOM 810 OD1 ASN A 56 -1.682 -2.854 -11.593 1.00 0.00 O ATOM 811 ND2 ASN A 56 0.020 -1.400 -11.418 1.00 0.00 N ATOM 0 H ASN A 56 -1.373 -4.597 -9.200 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.972 -5.303 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.406 -3.444 -10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.855 -4.008 -12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.605 -0.595 -11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.027 -1.261 -11.331 1.00 0.00 H new ATOM 818 N GLY A 57 0.794 -7.164 -10.015 1.00 0.00 N ATOM 819 CA GLY A 57 1.684 -8.311 -10.037 1.00 0.00 C ATOM 820 C GLY A 57 3.073 -7.975 -9.532 1.00 0.00 C ATOM 821 O GLY A 57 4.061 -8.551 -9.988 1.00 0.00 O ATOM 0 H GLY A 57 0.077 -7.192 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.261 -9.107 -9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.753 -8.694 -11.055 1.00 0.00 H new ATOM 825 N GLN A 58 3.149 -7.041 -8.590 1.00 0.00 N ATOM 826 CA GLN A 58 4.429 -6.629 -8.025 1.00 0.00 C ATOM 827 C GLN A 58 4.362 -6.581 -6.502 1.00 0.00 C ATOM 828 O GLN A 58 3.414 -6.045 -5.928 1.00 0.00 O ATOM 829 CB GLN A 58 4.835 -5.260 -8.573 1.00 0.00 C ATOM 830 CG GLN A 58 5.520 -5.326 -9.929 1.00 0.00 C ATOM 831 CD GLN A 58 7.009 -5.590 -9.818 1.00 0.00 C ATOM 832 OE1 GLN A 58 7.806 -4.663 -9.668 1.00 0.00 O ATOM 833 NE2 GLN A 58 7.393 -6.859 -9.891 1.00 0.00 N ATOM 0 H GLN A 58 2.340 -6.555 -8.202 1.00 0.00 H new ATOM 0 HA GLN A 58 5.179 -7.365 -8.314 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.947 -4.632 -8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.503 -4.776 -7.861 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.059 -6.112 -10.527 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.360 -4.387 -10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.699 -7.596 -10.016 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.382 -7.097 -9.822 1.00 0.00 H new ATOM 842 N LYS A 59 5.375 -7.145 -5.852 1.00 0.00 N ATOM 843 CA LYS A 59 5.432 -7.166 -4.396 1.00 0.00 C ATOM 844 C LYS A 59 6.385 -6.095 -3.873 1.00 0.00 C ATOM 845 O LYS A 59 7.559 -6.064 -4.237 1.00 0.00 O ATOM 846 CB LYS A 59 5.878 -8.544 -3.902 1.00 0.00 C ATOM 847 CG LYS A 59 4.780 -9.593 -3.954 1.00 0.00 C ATOM 848 CD LYS A 59 5.245 -10.916 -3.368 1.00 0.00 C ATOM 849 CE LYS A 59 4.261 -12.036 -3.671 1.00 0.00 C ATOM 850 NZ LYS A 59 4.311 -12.445 -5.103 1.00 0.00 N ATOM 0 H LYS A 59 6.168 -7.594 -6.311 1.00 0.00 H new ATOM 0 HA LYS A 59 4.432 -6.956 -4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.721 -8.882 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.236 -8.455 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.909 -9.237 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.466 -9.742 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.224 -11.171 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.363 -10.816 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.484 -12.896 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.251 -11.710 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.468 -12.087 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.165 -12.051 -5.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.335 -13.483 -5.167 1.00 0.00 H new ATOM 864 N GLY A 60 5.870 -5.218 -3.016 1.00 0.00 N ATOM 865 CA GLY A 60 6.689 -4.159 -2.457 1.00 0.00 C ATOM 866 C GLY A 60 6.100 -3.581 -1.185 1.00 0.00 C ATOM 867 O GLY A 60 5.461 -4.292 -0.408 1.00 0.00 O ATOM 0 H GLY A 60 4.900 -5.222 -2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.686 -4.547 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.803 -3.365 -3.195 1.00 0.00 H new ATOM 871 N LEU A 61 6.315 -2.288 -0.970 1.00 0.00 N ATOM 872 CA LEU A 61 5.802 -1.614 0.218 1.00 0.00 C ATOM 873 C LEU A 61 4.790 -0.537 -0.162 1.00 0.00 C ATOM 874 O LEU A 61 4.808 -0.020 -1.278 1.00 0.00 O ATOM 875 CB LEU A 61 6.952 -0.992 1.012 1.00 0.00 C ATOM 876 CG LEU A 61 7.924 -1.974 1.667 1.00 0.00 C ATOM 877 CD1 LEU A 61 9.200 -1.262 2.088 1.00 0.00 C ATOM 878 CD2 LEU A 61 7.270 -2.652 2.863 1.00 0.00 C ATOM 0 H LEU A 61 6.841 -1.685 -1.603 1.00 0.00 H new ATOM 0 HA LEU A 61 5.300 -2.356 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.518 -0.342 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.528 -0.358 1.790 1.00 0.00 H new ATOM 0 HG LEU A 61 8.184 -2.740 0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.879 -1.977 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.678 -0.823 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.959 -0.475 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.975 -3.348 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.981 -1.898 3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.385 -3.196 2.534 1.00 0.00 H new ATOM 890 N VAL A 62 3.910 -0.203 0.777 1.00 0.00 N ATOM 891 CA VAL A 62 2.893 0.815 0.543 1.00 0.00 C ATOM 892 C VAL A 62 2.572 1.576 1.824 1.00 0.00 C ATOM 893 O VAL A 62 2.279 0.991 2.867 1.00 0.00 O ATOM 894 CB VAL A 62 1.596 0.195 -0.011 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.714 -0.039 -1.510 1.00 0.00 C ATOM 896 CG2 VAL A 62 1.273 -1.102 0.715 1.00 0.00 C ATOM 0 H VAL A 62 3.881 -0.623 1.706 1.00 0.00 H new ATOM 0 HA VAL A 62 3.301 1.506 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 62 0.778 0.894 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.789 -0.477 -1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.895 0.911 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.543 -0.718 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.354 -1.526 0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.090 -1.810 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.143 -0.901 1.778 1.00 0.00 H new ATOM 906 N PRO A 63 2.627 2.914 1.747 1.00 0.00 N ATOM 907 CA PRO A 63 2.344 3.785 2.891 1.00 0.00 C ATOM 908 C PRO A 63 0.870 3.771 3.280 1.00 0.00 C ATOM 909 O PRO A 63 0.012 4.217 2.518 1.00 0.00 O ATOM 910 CB PRO A 63 2.751 5.173 2.389 1.00 0.00 C ATOM 911 CG PRO A 63 2.619 5.094 0.907 1.00 0.00 C ATOM 912 CD PRO A 63 2.969 3.679 0.536 1.00 0.00 C ATOM 0 HA PRO A 63 2.877 3.467 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.106 5.948 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.772 5.417 2.683 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.605 5.341 0.592 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.287 5.803 0.417 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.400 3.338 -0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.024 3.579 0.283 1.00 0.00 H new ATOM 920 N SER A 64 0.582 3.256 4.472 1.00 0.00 N ATOM 921 CA SER A 64 -0.789 3.180 4.961 1.00 0.00 C ATOM 922 C SER A 64 -1.442 4.559 4.963 1.00 0.00 C ATOM 923 O SER A 64 -2.666 4.678 4.943 1.00 0.00 O ATOM 924 CB SER A 64 -0.819 2.587 6.371 1.00 0.00 C ATOM 925 OG SER A 64 -2.148 2.326 6.787 1.00 0.00 O ATOM 0 H SER A 64 1.281 2.885 5.116 1.00 0.00 H new ATOM 0 HA SER A 64 -1.352 2.531 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.240 1.664 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.345 3.277 7.069 1.00 0.00 H new ATOM 0 HG SER A 64 -2.139 1.946 7.690 1.00 0.00 H new ATOM 931 N ASN A 65 -0.614 5.599 4.988 1.00 0.00 N ATOM 932 CA ASN A 65 -1.110 6.970 4.993 1.00 0.00 C ATOM 933 C ASN A 65 -1.668 7.352 3.626 1.00 0.00 C ATOM 934 O ASN A 65 -2.154 8.467 3.431 1.00 0.00 O ATOM 935 CB ASN A 65 0.009 7.937 5.388 1.00 0.00 C ATOM 936 CG ASN A 65 0.723 7.508 6.655 1.00 0.00 C ATOM 937 OD1 ASN A 65 0.339 7.894 7.759 1.00 0.00 O ATOM 938 ND2 ASN A 65 1.770 6.705 6.501 1.00 0.00 N ATOM 0 H ASN A 65 0.403 5.518 5.005 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.915 7.036 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.730 8.006 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.409 8.934 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.291 6.384 7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.053 6.410 5.567 1.00 0.00 H new ATOM 945 N PHE A 66 -1.597 6.420 2.682 1.00 0.00 N ATOM 946 CA PHE A 66 -2.095 6.658 1.333 1.00 0.00 C ATOM 947 C PHE A 66 -3.059 5.555 0.906 1.00 0.00 C ATOM 948 O PHE A 66 -3.286 5.340 -0.286 1.00 0.00 O ATOM 949 CB PHE A 66 -0.931 6.745 0.344 1.00 0.00 C ATOM 950 CG PHE A 66 -0.060 7.952 0.547 1.00 0.00 C ATOM 951 CD1 PHE A 66 0.623 8.137 1.738 1.00 0.00 C ATOM 952 CD2 PHE A 66 0.074 8.901 -0.453 1.00 0.00 C ATOM 953 CE1 PHE A 66 1.426 9.246 1.928 1.00 0.00 C ATOM 954 CE2 PHE A 66 0.875 10.013 -0.269 1.00 0.00 C ATOM 955 CZ PHE A 66 1.551 10.186 0.924 1.00 0.00 C ATOM 0 H PHE A 66 -1.199 5.492 2.827 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.633 7.606 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.320 5.847 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.328 6.760 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.527 7.406 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.453 8.771 -1.387 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.955 9.377 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.972 10.746 -1.057 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.176 11.055 1.071 1.00 0.00 H new ATOM 965 N LEU A 67 -3.622 4.858 1.886 1.00 0.00 N ATOM 966 CA LEU A 67 -4.562 3.775 1.614 1.00 0.00 C ATOM 967 C LEU A 67 -5.756 3.839 2.560 1.00 0.00 C ATOM 968 O LEU A 67 -5.782 4.649 3.487 1.00 0.00 O ATOM 969 CB LEU A 67 -3.862 2.421 1.747 1.00 0.00 C ATOM 970 CG LEU A 67 -2.459 2.329 1.148 1.00 0.00 C ATOM 971 CD1 LEU A 67 -1.742 1.087 1.656 1.00 0.00 C ATOM 972 CD2 LEU A 67 -2.527 2.323 -0.372 1.00 0.00 C ATOM 0 H LEU A 67 -3.444 5.023 2.877 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.926 3.890 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.801 2.169 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.487 1.663 1.275 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.892 3.205 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.745 1.038 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.660 1.133 2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.307 0.199 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.519 2.257 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.111 1.466 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.000 3.242 -0.719 1.00 0.00 H new ATOM 984 N GLU A 68 -6.741 2.979 2.321 1.00 0.00 N ATOM 985 CA GLU A 68 -7.937 2.938 3.154 1.00 0.00 C ATOM 986 C GLU A 68 -8.661 1.603 3.001 1.00 0.00 C ATOM 987 O GLU A 68 -9.107 1.250 1.910 1.00 0.00 O ATOM 988 CB GLU A 68 -8.880 4.087 2.789 1.00 0.00 C ATOM 989 CG GLU A 68 -10.182 4.077 3.571 1.00 0.00 C ATOM 990 CD GLU A 68 -11.203 5.051 3.016 1.00 0.00 C ATOM 991 OE1 GLU A 68 -11.367 5.096 1.778 1.00 0.00 O ATOM 992 OE2 GLU A 68 -11.838 5.767 3.817 1.00 0.00 O ATOM 0 H GLU A 68 -6.734 2.302 1.558 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.628 3.047 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.369 5.034 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.105 4.037 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.601 3.071 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.978 4.325 4.613 1.00 0.00 H new ATOM 999 N GLU A 69 -8.772 0.867 4.102 1.00 0.00 N ATOM 1000 CA GLU A 69 -9.440 -0.429 4.090 1.00 0.00 C ATOM 1001 C GLU A 69 -10.772 -0.348 3.349 1.00 0.00 C ATOM 1002 O GLU A 69 -11.702 0.325 3.793 1.00 0.00 O ATOM 1003 CB GLU A 69 -9.669 -0.923 5.520 1.00 0.00 C ATOM 1004 CG GLU A 69 -10.335 -2.287 5.593 1.00 0.00 C ATOM 1005 CD GLU A 69 -10.742 -2.662 7.005 1.00 0.00 C ATOM 1006 OE1 GLU A 69 -10.064 -2.221 7.956 1.00 0.00 O ATOM 1007 OE2 GLU A 69 -11.740 -3.398 7.158 1.00 0.00 O ATOM 0 H GLU A 69 -8.408 1.146 5.013 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.796 -1.136 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.711 -0.968 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.285 -0.198 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.216 -2.292 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.652 -3.042 5.203 1.00 0.00 H new ATOM 1014 N VAL A 70 -10.855 -1.038 2.216 1.00 0.00 N ATOM 1015 CA VAL A 70 -12.072 -1.045 1.413 1.00 0.00 C ATOM 1016 C VAL A 70 -13.216 -1.725 2.156 1.00 0.00 C ATOM 1017 O VAL A 70 -13.066 -2.834 2.666 1.00 0.00 O ATOM 1018 CB VAL A 70 -11.851 -1.760 0.067 1.00 0.00 C ATOM 1019 CG1 VAL A 70 -13.158 -1.860 -0.705 1.00 0.00 C ATOM 1020 CG2 VAL A 70 -10.792 -1.038 -0.753 1.00 0.00 C ATOM 0 H VAL A 70 -10.094 -1.599 1.834 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.334 -0.004 1.224 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.496 -2.771 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.983 -2.368 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.884 -2.425 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -13.545 -0.859 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.649 -1.557 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.115 -0.015 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.852 -1.024 -0.202 1.00 0.00 H new ATOM 1030 N SER A 71 -14.361 -1.051 2.211 1.00 0.00 N ATOM 1031 CA SER A 71 -15.532 -1.589 2.894 1.00 0.00 C ATOM 1032 C SER A 71 -16.809 -0.930 2.383 1.00 0.00 C ATOM 1033 O SER A 71 -17.000 0.277 2.527 1.00 0.00 O ATOM 1034 CB SER A 71 -15.407 -1.381 4.405 1.00 0.00 C ATOM 1035 OG SER A 71 -15.462 -0.004 4.737 1.00 0.00 O ATOM 0 H SER A 71 -14.502 -0.132 1.791 1.00 0.00 H new ATOM 0 HA SER A 71 -15.586 -2.657 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.209 -1.914 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.467 -1.806 4.757 1.00 0.00 H new ATOM 0 HG SER A 71 -15.948 0.482 4.038 1.00 0.00 H new ATOM 1041 N GLY A 72 -17.683 -1.733 1.784 1.00 0.00 N ATOM 1042 CA GLY A 72 -18.932 -1.212 1.259 1.00 0.00 C ATOM 1043 C GLY A 72 -20.141 -1.753 1.996 1.00 0.00 C ATOM 1044 O GLY A 72 -20.048 -2.204 3.138 1.00 0.00 O ATOM 0 H GLY A 72 -17.548 -2.736 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.926 -0.124 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -19.012 -1.465 0.202 1.00 0.00 H new ATOM 1048 N PRO A 73 -21.308 -1.711 1.336 1.00 0.00 N ATOM 1049 CA PRO A 73 -22.564 -2.196 1.917 1.00 0.00 C ATOM 1050 C PRO A 73 -22.588 -3.713 2.061 1.00 0.00 C ATOM 1051 O PRO A 73 -21.883 -4.426 1.346 1.00 0.00 O ATOM 1052 CB PRO A 73 -23.621 -1.737 0.910 1.00 0.00 C ATOM 1053 CG PRO A 73 -22.888 -1.620 -0.382 1.00 0.00 C ATOM 1054 CD PRO A 73 -21.492 -1.187 -0.028 1.00 0.00 C ATOM 0 HA PRO A 73 -22.722 -1.813 2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -24.438 -2.455 0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -24.060 -0.784 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -22.879 -2.572 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -23.367 -0.894 -1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.756 -1.598 -0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.387 -0.102 -0.059 1.00 0.00 H new ATOM 1062 N SER A 74 -23.403 -4.202 2.990 1.00 0.00 N ATOM 1063 CA SER A 74 -23.517 -5.636 3.229 1.00 0.00 C ATOM 1064 C SER A 74 -24.613 -6.247 2.362 1.00 0.00 C ATOM 1065 O SER A 74 -25.765 -6.356 2.783 1.00 0.00 O ATOM 1066 CB SER A 74 -23.809 -5.906 4.706 1.00 0.00 C ATOM 1067 OG SER A 74 -25.011 -5.274 5.112 1.00 0.00 O ATOM 0 H SER A 74 -23.994 -3.626 3.590 1.00 0.00 H new ATOM 0 HA SER A 74 -22.567 -6.100 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 -23.884 -6.980 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.981 -5.545 5.316 1.00 0.00 H new ATOM 0 HG SER A 74 -25.701 -5.414 4.430 1.00 0.00 H new ATOM 1073 N SER A 75 -24.247 -6.644 1.148 1.00 0.00 N ATOM 1074 CA SER A 75 -25.199 -7.241 0.218 1.00 0.00 C ATOM 1075 C SER A 75 -25.952 -8.393 0.877 1.00 0.00 C ATOM 1076 O SER A 75 -27.180 -8.445 0.846 1.00 0.00 O ATOM 1077 CB SER A 75 -24.477 -7.739 -1.035 1.00 0.00 C ATOM 1078 OG SER A 75 -25.339 -8.521 -1.843 1.00 0.00 O ATOM 0 H SER A 75 -23.297 -6.563 0.785 1.00 0.00 H new ATOM 0 HA SER A 75 -25.920 -6.475 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 75 -24.108 -6.888 -1.608 1.00 0.00 H new ATOM 0 HB3 SER A 75 -23.608 -8.330 -0.747 1.00 0.00 H new ATOM 0 HG SER A 75 -24.854 -8.826 -2.638 1.00 0.00 H new ATOM 1084 N GLY A 76 -25.204 -9.316 1.474 1.00 0.00 N ATOM 1085 CA GLY A 76 -25.816 -10.456 2.131 1.00 0.00 C ATOM 1086 C GLY A 76 -24.795 -11.473 2.599 1.00 0.00 C ATOM 1087 O GLY A 76 -24.823 -11.907 3.751 1.00 0.00 O ATOM 0 H GLY A 76 -24.185 -9.294 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -26.397 -10.110 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -26.513 -10.936 1.444 1.00 0.00 H new TER 1091 GLY A 76