USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= -0.281 USER MOD Set 1.2: A 63 TYR OH : rot 70:sc= 0.41 USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.168 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.338 X(o=-0.17,f=-0.025) USER MOD Single : A 4 SER OG : rot 26:sc= -0.317 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 1.01 (180deg=0.971) USER MOD Single : A 11 THR OG1 : rot -27:sc= -1.75 USER MOD Single : A 12 THR OG1 : rot -63:sc= 0.246 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -1.55 USER MOD Single : A 31 MET CE :methyl -148:sc= -0.37 (180deg=-2.67!) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0.751 (180deg=0.645) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0.804 (180deg=0.769) USER MOD Single : A 37 GLN : amide:sc=-0.00515 X(o=-0.0052,f=-0.0085) USER MOD Single : A 38 THR OG1 : rot -129:sc= 0.0627 USER MOD Single : A 44 GLN : amide:sc= -0.593 K(o=-0.59,f=0) USER MOD Single : A 50 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.021) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 70 THR OG1 : rot -120:sc= -0.302 USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= -0.0193 (180deg=-0.109) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.709 -3.385 -1.952 1.00 0.00 N ATOM 29 CA SER A 4 -3.850 -2.509 -2.217 1.00 0.00 C ATOM 30 C SER A 4 -3.572 -1.633 -3.465 1.00 0.00 C ATOM 31 O SER A 4 -2.716 -1.977 -4.288 1.00 0.00 O ATOM 32 CB SER A 4 -4.085 -1.650 -0.956 1.00 0.00 C ATOM 33 OG SER A 4 -4.252 -2.458 0.199 1.00 0.00 O ATOM 0 HA SER A 4 -4.747 -3.090 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.241 -0.976 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.969 -1.028 -1.097 1.00 0.00 H new ATOM 0 HG SER A 4 -3.794 -3.315 0.068 1.00 0.00 H new ATOM 39 N LEU A 5 -4.316 -0.519 -3.606 1.00 0.00 N ATOM 40 CA LEU A 5 -4.136 0.464 -4.685 1.00 0.00 C ATOM 41 C LEU A 5 -4.830 1.785 -4.316 1.00 0.00 C ATOM 42 O LEU A 5 -5.960 1.790 -3.816 1.00 0.00 O ATOM 43 CB LEU A 5 -4.604 -0.103 -6.066 1.00 0.00 C ATOM 44 CG LEU A 5 -5.939 -0.928 -6.128 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.203 -0.041 -6.134 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.921 -1.874 -7.341 1.00 0.00 C ATOM 0 H LEU A 5 -5.069 -0.276 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.072 0.673 -4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.703 0.738 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.805 -0.737 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.991 -1.517 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.090 -0.672 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.230 0.560 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.182 0.616 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.851 -2.441 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.819 -1.290 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.080 -2.562 -7.254 1.00 0.00 H new ATOM 58 N GLU A 6 -4.139 2.905 -4.548 1.00 0.00 N ATOM 59 CA GLU A 6 -4.622 4.231 -4.138 1.00 0.00 C ATOM 60 C GLU A 6 -5.266 4.944 -5.329 1.00 0.00 C ATOM 61 O GLU A 6 -4.579 5.352 -6.266 1.00 0.00 O ATOM 62 CB GLU A 6 -3.478 5.084 -3.537 1.00 0.00 C ATOM 63 CG GLU A 6 -3.958 6.431 -2.956 1.00 0.00 C ATOM 64 CD GLU A 6 -2.828 7.268 -2.362 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.136 7.976 -3.127 1.00 0.00 O ATOM 66 OE2 GLU A 6 -2.619 7.224 -1.132 1.00 0.00 O ATOM 0 H GLU A 6 -3.236 2.921 -5.021 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.374 4.098 -3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.984 4.513 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.733 5.275 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.450 7.003 -3.742 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.704 6.241 -2.185 1.00 0.00 H new ATOM 73 N ILE A 7 -6.596 5.050 -5.289 1.00 0.00 N ATOM 74 CA ILE A 7 -7.399 5.684 -6.344 1.00 0.00 C ATOM 75 C ILE A 7 -7.942 7.043 -5.876 1.00 0.00 C ATOM 76 O ILE A 7 -7.735 7.450 -4.730 1.00 0.00 O ATOM 77 CB ILE A 7 -8.593 4.753 -6.758 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.568 4.518 -5.548 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.062 3.412 -7.309 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.840 3.771 -5.889 1.00 0.00 C ATOM 0 H ILE A 7 -7.156 4.694 -4.514 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.753 5.843 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.158 5.249 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.036 3.965 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.835 5.485 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.901 2.777 -7.592 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.438 3.599 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.471 2.912 -6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.447 3.658 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.401 4.330 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.589 2.787 -6.284 1.00 0.00 H new ATOM 92 N LYS A 8 -8.666 7.719 -6.779 1.00 0.00 N ATOM 93 CA LYS A 8 -9.252 9.053 -6.539 1.00 0.00 C ATOM 94 C LYS A 8 -10.748 9.039 -6.890 1.00 0.00 C ATOM 95 O LYS A 8 -11.118 8.542 -7.947 1.00 0.00 O ATOM 96 CB LYS A 8 -8.493 10.105 -7.401 1.00 0.00 C ATOM 97 CG LYS A 8 -7.009 10.352 -6.961 1.00 0.00 C ATOM 98 CD LYS A 8 -5.946 9.956 -8.019 1.00 0.00 C ATOM 99 CE LYS A 8 -5.971 10.854 -9.273 1.00 0.00 C ATOM 100 NZ LYS A 8 -4.821 10.583 -10.175 1.00 0.00 N ATOM 0 H LYS A 8 -8.866 7.353 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.152 9.317 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.502 9.779 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.034 11.050 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.887 11.408 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.817 9.792 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.956 10.004 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.109 8.921 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.903 10.693 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.955 11.901 -8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.809 11.285 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.934 10.645 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.914 9.629 -10.579 1.00 0.00 H new ATOM 114 N ILE A 9 -11.619 9.546 -5.986 1.00 0.00 N ATOM 115 CA ILE A 9 -13.068 9.675 -6.258 1.00 0.00 C ATOM 116 C ILE A 9 -13.428 11.170 -6.316 1.00 0.00 C ATOM 117 O ILE A 9 -13.502 11.844 -5.277 1.00 0.00 O ATOM 118 CB ILE A 9 -13.995 8.955 -5.186 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.756 7.401 -5.120 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.499 9.241 -5.475 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.469 6.959 -4.449 1.00 0.00 C ATOM 0 H ILE A 9 -11.341 9.873 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.256 9.175 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.722 9.371 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.594 6.946 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.768 7.007 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.115 8.738 -4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.680 10.315 -5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.756 8.870 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.408 5.871 -4.460 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.617 7.375 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.456 7.313 -3.418 1.00 0.00 H new ATOM 133 N ARG A 10 -13.602 11.687 -7.531 1.00 0.00 N ATOM 134 CA ARG A 10 -14.078 13.058 -7.762 1.00 0.00 C ATOM 135 C ARG A 10 -15.599 13.117 -7.511 1.00 0.00 C ATOM 136 O ARG A 10 -16.377 12.500 -8.244 1.00 0.00 O ATOM 137 CB ARG A 10 -13.752 13.488 -9.220 1.00 0.00 C ATOM 138 CG ARG A 10 -14.036 14.977 -9.535 1.00 0.00 C ATOM 139 CD ARG A 10 -13.920 15.311 -11.038 1.00 0.00 C ATOM 140 NE ARG A 10 -15.002 14.683 -11.830 1.00 0.00 N ATOM 141 CZ ARG A 10 -16.247 15.180 -11.965 1.00 0.00 C ATOM 142 NH1 ARG A 10 -16.587 16.334 -11.404 1.00 0.00 N ATOM 143 NH2 ARG A 10 -17.140 14.533 -12.696 1.00 0.00 N ATOM 0 H ARG A 10 -13.417 11.168 -8.389 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.577 13.743 -7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.700 13.283 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.331 12.869 -9.905 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.038 15.231 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.338 15.600 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.952 16.392 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.954 14.972 -11.411 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.789 13.808 -12.309 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.901 16.859 -10.861 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.534 16.696 -11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.886 13.659 -13.156 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.083 14.908 -12.799 1.00 0.00 H new ATOM 157 N THR A 11 -16.013 13.831 -6.457 1.00 0.00 N ATOM 158 CA THR A 11 -17.430 13.962 -6.077 1.00 0.00 C ATOM 159 C THR A 11 -18.237 14.798 -7.090 1.00 0.00 C ATOM 160 O THR A 11 -17.687 15.353 -8.051 1.00 0.00 O ATOM 161 CB THR A 11 -17.558 14.601 -4.665 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.052 15.936 -4.685 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.809 13.793 -3.615 1.00 0.00 C ATOM 0 H THR A 11 -15.376 14.336 -5.841 1.00 0.00 H new ATOM 0 HA THR A 11 -17.845 12.954 -6.069 1.00 0.00 H new ATOM 0 HB THR A 11 -18.615 14.609 -4.401 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.375 16.019 -5.389 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.921 14.270 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.217 12.783 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.752 13.747 -3.877 1.00 0.00 H new ATOM 171 N THR A 12 -19.550 14.888 -6.841 1.00 0.00 N ATOM 172 CA THR A 12 -20.475 15.714 -7.642 1.00 0.00 C ATOM 173 C THR A 12 -20.248 17.219 -7.351 1.00 0.00 C ATOM 174 O THR A 12 -20.651 18.094 -8.137 1.00 0.00 O ATOM 175 CB THR A 12 -21.954 15.305 -7.331 1.00 0.00 C ATOM 176 OG1 THR A 12 -21.982 13.942 -6.889 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.875 15.427 -8.558 1.00 0.00 C ATOM 0 H THR A 12 -20.006 14.390 -6.077 1.00 0.00 H new ATOM 0 HA THR A 12 -20.280 15.543 -8.701 1.00 0.00 H new ATOM 0 HB THR A 12 -22.319 15.987 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.661 13.358 -7.608 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.888 15.131 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.881 16.460 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.510 14.777 -9.353 1.00 0.00 H new ATOM 185 N GLU A 13 -19.609 17.490 -6.192 1.00 0.00 N ATOM 186 CA GLU A 13 -19.084 18.821 -5.829 1.00 0.00 C ATOM 187 C GLU A 13 -17.904 19.179 -6.752 1.00 0.00 C ATOM 188 O GLU A 13 -17.729 20.337 -7.142 1.00 0.00 O ATOM 189 CB GLU A 13 -18.594 18.818 -4.362 1.00 0.00 C ATOM 190 CG GLU A 13 -19.622 18.314 -3.330 1.00 0.00 C ATOM 191 CD GLU A 13 -18.956 17.879 -2.020 1.00 0.00 C ATOM 192 OE1 GLU A 13 -18.923 18.668 -1.045 1.00 0.00 O ATOM 193 OE2 GLU A 13 -18.418 16.754 -1.984 1.00 0.00 O ATOM 0 H GLU A 13 -19.442 16.783 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.881 19.556 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.701 18.197 -4.295 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.298 19.832 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.345 19.103 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.176 17.475 -3.751 1.00 0.00 H new ATOM 200 N GLY A 14 -17.102 18.142 -7.081 1.00 0.00 N ATOM 201 CA GLY A 14 -15.917 18.273 -7.924 1.00 0.00 C ATOM 202 C GLY A 14 -14.618 18.053 -7.165 1.00 0.00 C ATOM 203 O GLY A 14 -13.550 18.023 -7.789 1.00 0.00 O ATOM 0 H GLY A 14 -17.270 17.188 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.979 17.555 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.905 19.267 -8.372 1.00 0.00 H new ATOM 207 N ARG A 15 -14.704 17.889 -5.819 1.00 0.00 N ATOM 208 CA ARG A 15 -13.516 17.658 -4.960 1.00 0.00 C ATOM 209 C ARG A 15 -12.994 16.217 -5.159 1.00 0.00 C ATOM 210 O ARG A 15 -13.779 15.298 -5.378 1.00 0.00 O ATOM 211 CB ARG A 15 -13.835 17.907 -3.452 1.00 0.00 C ATOM 212 CG ARG A 15 -14.688 16.811 -2.766 1.00 0.00 C ATOM 213 CD ARG A 15 -14.872 17.029 -1.262 1.00 0.00 C ATOM 214 NE ARG A 15 -15.773 18.149 -0.956 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.536 19.126 -0.073 1.00 0.00 C ATOM 216 NH1 ARG A 15 -14.349 19.235 0.505 1.00 0.00 N ATOM 217 NH2 ARG A 15 -16.480 19.998 0.213 1.00 0.00 N ATOM 0 H ARG A 15 -15.585 17.913 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.746 18.370 -5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.894 18.004 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.356 18.860 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.668 16.774 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.218 15.841 -2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.267 16.118 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.900 17.215 -0.805 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.658 18.185 -1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.608 18.572 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.176 19.982 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.392 19.929 -0.239 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.299 20.743 0.886 1.00 0.00 H new ATOM 231 N THR A 16 -11.678 16.027 -5.074 1.00 0.00 N ATOM 232 CA THR A 16 -11.048 14.712 -5.266 1.00 0.00 C ATOM 233 C THR A 16 -10.762 14.045 -3.900 1.00 0.00 C ATOM 234 O THR A 16 -10.138 14.651 -3.020 1.00 0.00 O ATOM 235 CB THR A 16 -9.732 14.871 -6.083 1.00 0.00 C ATOM 236 OG1 THR A 16 -9.998 15.645 -7.262 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.136 13.524 -6.501 1.00 0.00 C ATOM 0 H THR A 16 -11.016 16.776 -4.871 1.00 0.00 H new ATOM 0 HA THR A 16 -11.732 14.070 -5.822 1.00 0.00 H new ATOM 0 HB THR A 16 -9.008 15.371 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.172 15.749 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.220 13.692 -7.068 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.910 12.935 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.853 12.986 -7.121 1.00 0.00 H new ATOM 245 N LEU A 17 -11.241 12.803 -3.736 1.00 0.00 N ATOM 246 CA LEU A 17 -11.080 12.015 -2.496 1.00 0.00 C ATOM 247 C LEU A 17 -10.141 10.835 -2.768 1.00 0.00 C ATOM 248 O LEU A 17 -10.583 9.755 -3.198 1.00 0.00 O ATOM 249 CB LEU A 17 -12.456 11.508 -1.986 1.00 0.00 C ATOM 250 CG LEU A 17 -13.555 12.598 -1.785 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.891 11.958 -1.368 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.101 13.680 -0.774 1.00 0.00 C ATOM 0 H LEU A 17 -11.756 12.309 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.649 12.649 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.832 10.767 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.303 10.995 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.710 13.098 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.641 12.737 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.221 11.266 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.758 11.417 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.890 14.423 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.896 13.214 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.197 14.165 -1.142 1.00 0.00 H new ATOM 264 N THR A 18 -8.846 11.063 -2.546 1.00 0.00 N ATOM 265 CA THR A 18 -7.805 10.068 -2.803 1.00 0.00 C ATOM 266 C THR A 18 -7.726 9.058 -1.634 1.00 0.00 C ATOM 267 O THR A 18 -7.214 9.380 -0.554 1.00 0.00 O ATOM 268 CB THR A 18 -6.435 10.775 -3.029 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.603 11.845 -3.982 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.350 9.804 -3.535 1.00 0.00 C ATOM 0 H THR A 18 -8.489 11.946 -2.182 1.00 0.00 H new ATOM 0 HA THR A 18 -8.057 9.515 -3.708 1.00 0.00 H new ATOM 0 HB THR A 18 -6.102 11.165 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.743 12.293 -4.125 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.415 10.345 -3.677 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.202 9.010 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.665 9.369 -4.484 1.00 0.00 H new ATOM 278 N VAL A 19 -8.289 7.854 -1.849 1.00 0.00 N ATOM 279 CA VAL A 19 -8.323 6.772 -0.843 1.00 0.00 C ATOM 280 C VAL A 19 -7.553 5.550 -1.356 1.00 0.00 C ATOM 281 O VAL A 19 -7.435 5.345 -2.569 1.00 0.00 O ATOM 282 CB VAL A 19 -9.807 6.352 -0.491 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.629 7.564 0.012 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.522 5.654 -1.687 1.00 0.00 C ATOM 0 H VAL A 19 -8.736 7.602 -2.730 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.851 7.150 0.064 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.744 5.623 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.644 7.243 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.162 7.973 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.660 8.330 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.537 5.384 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.556 6.335 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.973 4.754 -1.964 1.00 0.00 H new ATOM 294 N ASP A 20 -7.044 4.729 -0.429 1.00 0.00 N ATOM 295 CA ASP A 20 -6.332 3.485 -0.766 1.00 0.00 C ATOM 296 C ASP A 20 -7.178 2.270 -0.335 1.00 0.00 C ATOM 297 O ASP A 20 -7.603 2.170 0.823 1.00 0.00 O ATOM 298 CB ASP A 20 -4.920 3.467 -0.126 1.00 0.00 C ATOM 299 CG ASP A 20 -4.931 3.525 1.410 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.175 4.612 1.972 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.690 2.484 2.067 1.00 0.00 O ATOM 0 H ASP A 20 -7.112 4.905 0.573 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.190 3.432 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.400 2.562 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.348 4.313 -0.508 1.00 0.00 H new ATOM 306 N VAL A 21 -7.461 1.388 -1.301 1.00 0.00 N ATOM 307 CA VAL A 21 -8.287 0.167 -1.133 1.00 0.00 C ATOM 308 C VAL A 21 -7.714 -0.966 -2.002 1.00 0.00 C ATOM 309 O VAL A 21 -6.985 -0.706 -2.949 1.00 0.00 O ATOM 310 CB VAL A 21 -9.791 0.425 -1.552 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.574 1.213 -0.471 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.852 1.164 -2.920 1.00 0.00 C ATOM 0 H VAL A 21 -7.115 1.500 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.263 -0.112 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.273 -0.548 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.601 1.365 -0.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.575 0.649 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.098 2.180 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.893 1.335 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.336 2.121 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.370 0.555 -3.684 1.00 0.00 H new ATOM 322 N LYS A 22 -8.057 -2.218 -1.680 1.00 0.00 N ATOM 323 CA LYS A 22 -7.580 -3.396 -2.442 1.00 0.00 C ATOM 324 C LYS A 22 -8.459 -3.632 -3.689 1.00 0.00 C ATOM 325 O LYS A 22 -9.627 -3.247 -3.683 1.00 0.00 O ATOM 326 CB LYS A 22 -7.596 -4.651 -1.534 1.00 0.00 C ATOM 327 CG LYS A 22 -6.863 -4.459 -0.190 1.00 0.00 C ATOM 328 CD LYS A 22 -6.732 -5.762 0.617 1.00 0.00 C ATOM 329 CE LYS A 22 -5.872 -6.821 -0.097 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.662 -8.031 0.738 1.00 0.00 N ATOM 0 H LYS A 22 -8.665 -2.451 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.559 -3.206 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.631 -4.931 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.138 -5.482 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.869 -4.055 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.399 -3.721 0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.293 -5.539 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.725 -6.171 0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.353 -7.107 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.906 -6.388 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.078 -8.716 0.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.179 -7.765 1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.582 -8.461 0.963 1.00 0.00 H new ATOM 344 N PRO A 23 -7.923 -4.290 -4.773 1.00 0.00 N ATOM 345 CA PRO A 23 -8.750 -4.687 -5.952 1.00 0.00 C ATOM 346 C PRO A 23 -9.795 -5.765 -5.576 1.00 0.00 C ATOM 347 O PRO A 23 -10.813 -5.933 -6.257 1.00 0.00 O ATOM 348 CB PRO A 23 -7.703 -5.224 -6.966 1.00 0.00 C ATOM 349 CG PRO A 23 -6.539 -5.661 -6.118 1.00 0.00 C ATOM 350 CD PRO A 23 -6.495 -4.697 -4.949 1.00 0.00 C ATOM 0 HA PRO A 23 -9.337 -3.862 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.104 -6.055 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.408 -4.452 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.669 -6.687 -5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.609 -5.631 -6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.101 -5.173 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.857 -3.839 -5.161 1.00 0.00 H new ATOM 358 N ASP A 24 -9.514 -6.462 -4.463 1.00 0.00 N ATOM 359 CA ASP A 24 -10.380 -7.502 -3.879 1.00 0.00 C ATOM 360 C ASP A 24 -11.669 -6.910 -3.285 1.00 0.00 C ATOM 361 O ASP A 24 -12.660 -7.628 -3.116 1.00 0.00 O ATOM 362 CB ASP A 24 -9.597 -8.255 -2.768 1.00 0.00 C ATOM 363 CG ASP A 24 -8.328 -8.940 -3.292 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.339 -8.230 -3.592 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.313 -10.185 -3.426 1.00 0.00 O ATOM 0 H ASP A 24 -8.657 -6.315 -3.930 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.666 -8.187 -4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.325 -7.551 -1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.248 -9.003 -2.316 1.00 0.00 H new ATOM 370 N ARG A 25 -11.645 -5.594 -2.963 1.00 0.00 N ATOM 371 CA ARG A 25 -12.787 -4.908 -2.318 1.00 0.00 C ATOM 372 C ARG A 25 -13.955 -4.771 -3.306 1.00 0.00 C ATOM 373 O ARG A 25 -13.762 -4.892 -4.516 1.00 0.00 O ATOM 374 CB ARG A 25 -12.386 -3.503 -1.778 1.00 0.00 C ATOM 375 CG ARG A 25 -11.156 -3.471 -0.846 1.00 0.00 C ATOM 376 CD ARG A 25 -11.182 -4.507 0.289 1.00 0.00 C ATOM 377 NE ARG A 25 -12.285 -4.307 1.240 1.00 0.00 N ATOM 378 CZ ARG A 25 -12.617 -5.179 2.207 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.017 -6.354 2.297 1.00 0.00 N ATOM 380 NH2 ARG A 25 -13.575 -4.893 3.058 1.00 0.00 N ATOM 0 H ARG A 25 -10.845 -4.987 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.098 -5.519 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.192 -2.849 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.237 -3.084 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.259 -3.631 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.074 -2.476 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.261 -5.505 -0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.236 -4.467 0.829 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.834 -3.451 1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.291 -6.609 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.280 -7.005 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.072 -4.005 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -13.823 -5.559 3.790 1.00 0.00 H new ATOM 394 N THR A 26 -15.153 -4.527 -2.771 1.00 0.00 N ATOM 395 CA THR A 26 -16.366 -4.299 -3.569 1.00 0.00 C ATOM 396 C THR A 26 -16.585 -2.794 -3.773 1.00 0.00 C ATOM 397 O THR A 26 -15.937 -1.969 -3.107 1.00 0.00 O ATOM 398 CB THR A 26 -17.612 -4.934 -2.875 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.784 -4.355 -1.572 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.473 -6.463 -2.749 1.00 0.00 C ATOM 0 H THR A 26 -15.313 -4.481 -1.765 1.00 0.00 H new ATOM 0 HA THR A 26 -16.235 -4.775 -4.541 1.00 0.00 H new ATOM 0 HB THR A 26 -18.485 -4.726 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.339 -4.946 -1.022 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.359 -6.870 -2.261 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.371 -6.902 -3.741 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.590 -6.700 -2.155 1.00 0.00 H new ATOM 408 N ILE A 27 -17.488 -2.436 -4.699 1.00 0.00 N ATOM 409 CA ILE A 27 -17.847 -1.028 -4.959 1.00 0.00 C ATOM 410 C ILE A 27 -18.564 -0.434 -3.723 1.00 0.00 C ATOM 411 O ILE A 27 -18.498 0.772 -3.489 1.00 0.00 O ATOM 412 CB ILE A 27 -18.723 -0.881 -6.266 1.00 0.00 C ATOM 413 CG1 ILE A 27 -18.000 -1.529 -7.498 1.00 0.00 C ATOM 414 CG2 ILE A 27 -19.093 0.599 -6.563 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.640 -0.945 -7.852 1.00 0.00 C ATOM 0 H ILE A 27 -17.987 -3.105 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.931 -0.464 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.655 -1.416 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.877 -2.594 -7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.651 -1.436 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.695 0.649 -7.470 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.662 1.007 -5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.182 1.181 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.234 -1.468 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.749 0.114 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.962 -1.062 -7.006 1.00 0.00 H new ATOM 427 N GLU A 28 -19.205 -1.322 -2.920 1.00 0.00 N ATOM 428 CA GLU A 28 -19.745 -0.996 -1.573 1.00 0.00 C ATOM 429 C GLU A 28 -18.697 -0.286 -0.695 1.00 0.00 C ATOM 430 O GLU A 28 -19.004 0.714 -0.033 1.00 0.00 O ATOM 431 CB GLU A 28 -20.221 -2.301 -0.857 1.00 0.00 C ATOM 432 CG GLU A 28 -21.524 -2.917 -1.409 1.00 0.00 C ATOM 433 CD GLU A 28 -22.790 -2.157 -0.969 1.00 0.00 C ATOM 434 OE1 GLU A 28 -23.452 -2.592 -0.001 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.117 -1.115 -1.568 1.00 0.00 O ATOM 0 H GLU A 28 -19.363 -2.293 -3.191 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.588 -0.319 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.428 -3.045 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.361 -2.085 0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.478 -2.933 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.597 -3.953 -1.078 1.00 0.00 H new ATOM 442 N GLU A 29 -17.456 -0.813 -0.731 1.00 0.00 N ATOM 443 CA GLU A 29 -16.323 -0.287 0.053 1.00 0.00 C ATOM 444 C GLU A 29 -15.929 1.113 -0.438 1.00 0.00 C ATOM 445 O GLU A 29 -15.553 1.959 0.362 1.00 0.00 O ATOM 446 CB GLU A 29 -15.097 -1.248 -0.023 1.00 0.00 C ATOM 447 CG GLU A 29 -15.412 -2.736 0.246 1.00 0.00 C ATOM 448 CD GLU A 29 -16.162 -2.977 1.562 1.00 0.00 C ATOM 449 OE1 GLU A 29 -15.549 -2.806 2.638 1.00 0.00 O ATOM 450 OE2 GLU A 29 -17.358 -3.347 1.530 1.00 0.00 O ATOM 0 H GLU A 29 -17.212 -1.618 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.640 -0.217 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.648 -1.161 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.349 -0.915 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.008 -3.127 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.479 -3.299 0.261 1.00 0.00 H new ATOM 457 N LEU A 30 -16.036 1.343 -1.762 1.00 0.00 N ATOM 458 CA LEU A 30 -15.744 2.658 -2.374 1.00 0.00 C ATOM 459 C LEU A 30 -16.752 3.709 -1.921 1.00 0.00 C ATOM 460 O LEU A 30 -16.371 4.831 -1.579 1.00 0.00 O ATOM 461 CB LEU A 30 -15.755 2.568 -3.918 1.00 0.00 C ATOM 462 CG LEU A 30 -14.715 1.596 -4.537 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.752 1.629 -6.082 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.295 1.886 -3.996 1.00 0.00 C ATOM 0 H LEU A 30 -16.324 0.631 -2.433 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.749 2.955 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.750 2.261 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.582 3.565 -4.324 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.986 0.585 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.010 0.936 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.743 1.337 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.529 2.638 -6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.586 1.191 -4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.011 2.908 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.286 1.764 -2.913 1.00 0.00 H new ATOM 476 N MET A 31 -18.040 3.318 -1.940 1.00 0.00 N ATOM 477 CA MET A 31 -19.157 4.171 -1.517 1.00 0.00 C ATOM 478 C MET A 31 -19.014 4.533 -0.024 1.00 0.00 C ATOM 479 O MET A 31 -19.328 5.652 0.375 1.00 0.00 O ATOM 480 CB MET A 31 -20.526 3.492 -1.821 1.00 0.00 C ATOM 481 CG MET A 31 -20.673 2.984 -3.271 1.00 0.00 C ATOM 482 SD MET A 31 -22.379 2.817 -3.839 1.00 0.00 S ATOM 483 CE MET A 31 -22.675 4.436 -4.563 1.00 0.00 C ATOM 0 H MET A 31 -18.333 2.392 -2.253 1.00 0.00 H new ATOM 0 HA MET A 31 -19.127 5.097 -2.091 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.662 2.653 -1.139 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.325 4.204 -1.615 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.147 3.668 -3.937 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.179 2.016 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.724 4.705 -4.437 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.048 5.177 -4.066 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.433 4.409 -5.625 1.00 0.00 H new ATOM 493 N GLU A 32 -18.488 3.576 0.770 1.00 0.00 N ATOM 494 CA GLU A 32 -18.141 3.791 2.191 1.00 0.00 C ATOM 495 C GLU A 32 -17.086 4.896 2.327 1.00 0.00 C ATOM 496 O GLU A 32 -17.241 5.817 3.133 1.00 0.00 O ATOM 497 CB GLU A 32 -17.573 2.486 2.810 1.00 0.00 C ATOM 498 CG GLU A 32 -17.372 2.522 4.338 1.00 0.00 C ATOM 499 CD GLU A 32 -16.687 1.261 4.882 1.00 0.00 C ATOM 500 OE1 GLU A 32 -15.443 1.161 4.801 1.00 0.00 O ATOM 501 OE2 GLU A 32 -17.387 0.353 5.383 1.00 0.00 O ATOM 0 H GLU A 32 -18.292 2.630 0.443 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.049 4.086 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.246 1.664 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.616 2.265 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.774 3.395 4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.340 2.641 4.824 1.00 0.00 H new ATOM 508 N LYS A 33 -16.015 4.767 1.520 1.00 0.00 N ATOM 509 CA LYS A 33 -14.851 5.664 1.589 1.00 0.00 C ATOM 510 C LYS A 33 -15.227 7.113 1.240 1.00 0.00 C ATOM 511 O LYS A 33 -14.968 8.014 2.022 1.00 0.00 O ATOM 512 CB LYS A 33 -13.668 5.169 0.697 1.00 0.00 C ATOM 513 CG LYS A 33 -13.128 3.752 1.027 1.00 0.00 C ATOM 514 CD LYS A 33 -13.141 3.430 2.543 1.00 0.00 C ATOM 515 CE LYS A 33 -12.503 2.080 2.882 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.587 1.788 4.336 1.00 0.00 N ATOM 0 H LYS A 33 -15.935 4.042 0.807 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.510 5.644 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.991 5.182 -0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.847 5.881 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.728 3.010 0.500 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.108 3.663 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.613 4.218 3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.171 3.437 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.002 1.290 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.459 2.081 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.963 0.988 4.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.290 2.626 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.567 1.545 4.585 1.00 0.00 H new ATOM 530 N LEU A 34 -15.867 7.327 0.083 1.00 0.00 N ATOM 531 CA LEU A 34 -16.274 8.682 -0.356 1.00 0.00 C ATOM 532 C LEU A 34 -17.285 9.308 0.636 1.00 0.00 C ATOM 533 O LEU A 34 -17.306 10.530 0.813 1.00 0.00 O ATOM 534 CB LEU A 34 -16.803 8.638 -1.822 1.00 0.00 C ATOM 535 CG LEU A 34 -18.001 7.665 -2.113 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.383 8.329 -1.903 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.891 7.036 -3.517 1.00 0.00 C ATOM 0 H LEU A 34 -16.117 6.585 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.402 9.336 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.108 9.646 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.974 8.361 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.927 6.865 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.170 7.607 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.472 8.664 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.481 9.184 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.736 6.369 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.896 7.824 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.962 6.470 -3.591 1.00 0.00 H new ATOM 549 N LYS A 35 -18.085 8.452 1.311 1.00 0.00 N ATOM 550 CA LYS A 35 -19.006 8.882 2.383 1.00 0.00 C ATOM 551 C LYS A 35 -18.227 9.380 3.622 1.00 0.00 C ATOM 552 O LYS A 35 -18.519 10.453 4.137 1.00 0.00 O ATOM 553 CB LYS A 35 -19.958 7.714 2.762 1.00 0.00 C ATOM 554 CG LYS A 35 -20.845 7.937 4.013 1.00 0.00 C ATOM 555 CD LYS A 35 -21.815 9.132 3.890 1.00 0.00 C ATOM 556 CE LYS A 35 -22.547 9.427 5.208 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.540 10.527 5.071 1.00 0.00 N ATOM 0 H LYS A 35 -18.109 7.449 1.128 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.602 9.716 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.609 7.512 1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.357 6.819 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.422 7.032 4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.202 8.092 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.260 10.017 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.547 8.924 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.054 8.524 5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.818 9.692 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.921 10.769 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.078 11.363 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.316 10.219 4.451 1.00 0.00 H new ATOM 571 N GLU A 36 -17.233 8.605 4.092 1.00 0.00 N ATOM 572 CA GLU A 36 -16.467 8.952 5.317 1.00 0.00 C ATOM 573 C GLU A 36 -15.494 10.129 5.057 1.00 0.00 C ATOM 574 O GLU A 36 -15.058 10.802 6.000 1.00 0.00 O ATOM 575 CB GLU A 36 -15.725 7.704 5.886 1.00 0.00 C ATOM 576 CG GLU A 36 -14.638 7.109 4.970 1.00 0.00 C ATOM 577 CD GLU A 36 -14.127 5.722 5.409 1.00 0.00 C ATOM 578 OE1 GLU A 36 -12.998 5.613 5.943 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.856 4.727 5.218 1.00 0.00 O ATOM 0 H GLU A 36 -16.937 7.736 3.648 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.177 9.283 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.266 7.977 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.462 6.929 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.034 7.033 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.795 7.798 4.932 1.00 0.00 H new ATOM 586 N GLN A 37 -15.185 10.382 3.768 1.00 0.00 N ATOM 587 CA GLN A 37 -14.278 11.467 3.341 1.00 0.00 C ATOM 588 C GLN A 37 -14.990 12.831 3.314 1.00 0.00 C ATOM 589 O GLN A 37 -14.642 13.725 4.097 1.00 0.00 O ATOM 590 CB GLN A 37 -13.663 11.134 1.956 1.00 0.00 C ATOM 591 CG GLN A 37 -12.666 9.964 1.951 1.00 0.00 C ATOM 592 CD GLN A 37 -11.349 10.273 2.662 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.208 10.076 3.867 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.370 10.747 1.911 1.00 0.00 N ATOM 0 H GLN A 37 -15.559 9.837 2.991 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.475 11.541 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.472 10.905 1.262 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.159 12.023 1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.131 9.101 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.454 9.684 0.919 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.520 10.899 0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.464 10.961 2.329 1.00 0.00 H new ATOM 603 N THR A 38 -15.977 13.001 2.412 1.00 0.00 N ATOM 604 CA THR A 38 -16.668 14.305 2.230 1.00 0.00 C ATOM 605 C THR A 38 -17.965 14.381 3.076 1.00 0.00 C ATOM 606 O THR A 38 -18.332 15.461 3.559 1.00 0.00 O ATOM 607 CB THR A 38 -16.988 14.605 0.724 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.579 15.902 0.607 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.911 13.554 0.108 1.00 0.00 C ATOM 0 H THR A 38 -16.316 12.260 1.799 1.00 0.00 H new ATOM 0 HA THR A 38 -15.976 15.070 2.581 1.00 0.00 H new ATOM 0 HB THR A 38 -16.047 14.573 0.174 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.405 15.839 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.103 13.805 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.436 12.575 0.164 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.853 13.532 0.655 1.00 0.00 H new ATOM 617 N GLY A 39 -18.651 13.233 3.259 1.00 0.00 N ATOM 618 CA GLY A 39 -19.866 13.167 4.090 1.00 0.00 C ATOM 619 C GLY A 39 -21.164 12.990 3.314 1.00 0.00 C ATOM 620 O GLY A 39 -22.237 12.914 3.933 1.00 0.00 O ATOM 0 H GLY A 39 -18.382 12.342 2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.764 12.340 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.935 14.080 4.681 1.00 0.00 H new ATOM 624 N VAL A 40 -21.087 12.906 1.973 1.00 0.00 N ATOM 625 CA VAL A 40 -22.286 12.812 1.108 1.00 0.00 C ATOM 626 C VAL A 40 -22.859 11.362 1.112 1.00 0.00 C ATOM 627 O VAL A 40 -22.092 10.402 0.965 1.00 0.00 O ATOM 628 CB VAL A 40 -21.985 13.317 -0.366 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.073 12.351 -1.165 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.295 13.617 -1.135 1.00 0.00 C ATOM 0 H VAL A 40 -20.205 12.901 1.460 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.048 13.473 1.521 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.428 14.248 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.905 12.753 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.118 12.244 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.555 11.376 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.056 13.961 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.897 12.711 -1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.856 14.391 -0.611 1.00 0.00 H new ATOM 640 N PRO A 41 -24.212 11.170 1.336 1.00 0.00 N ATOM 641 CA PRO A 41 -24.838 9.826 1.339 1.00 0.00 C ATOM 642 C PRO A 41 -24.844 9.187 -0.080 1.00 0.00 C ATOM 643 O PRO A 41 -25.503 9.709 -0.991 1.00 0.00 O ATOM 644 CB PRO A 41 -26.275 10.093 1.865 1.00 0.00 C ATOM 645 CG PRO A 41 -26.554 11.517 1.493 1.00 0.00 C ATOM 646 CD PRO A 41 -25.223 12.230 1.622 1.00 0.00 C ATOM 0 HA PRO A 41 -24.295 9.110 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.997 9.415 1.409 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.336 9.945 2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.943 11.590 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.302 11.957 2.153 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.144 13.057 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.090 12.649 2.620 1.00 0.00 H new ATOM 654 N PRO A 42 -24.111 8.039 -0.287 1.00 0.00 N ATOM 655 CA PRO A 42 -23.917 7.423 -1.628 1.00 0.00 C ATOM 656 C PRO A 42 -25.188 6.753 -2.183 1.00 0.00 C ATOM 657 O PRO A 42 -25.189 6.267 -3.317 1.00 0.00 O ATOM 658 CB PRO A 42 -22.779 6.388 -1.400 1.00 0.00 C ATOM 659 CG PRO A 42 -22.266 6.653 -0.015 1.00 0.00 C ATOM 660 CD PRO A 42 -23.421 7.234 0.749 1.00 0.00 C ATOM 0 HA PRO A 42 -23.672 8.174 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.152 5.368 -1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.988 6.505 -2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -21.911 5.734 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -21.424 7.345 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.068 6.459 1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -23.088 7.848 1.586 1.00 0.00 H new ATOM 668 N GLU A 43 -26.256 6.729 -1.366 1.00 0.00 N ATOM 669 CA GLU A 43 -27.603 6.302 -1.794 1.00 0.00 C ATOM 670 C GLU A 43 -28.169 7.266 -2.865 1.00 0.00 C ATOM 671 O GLU A 43 -29.079 6.907 -3.620 1.00 0.00 O ATOM 672 CB GLU A 43 -28.548 6.250 -0.564 1.00 0.00 C ATOM 673 CG GLU A 43 -28.736 7.612 0.151 1.00 0.00 C ATOM 674 CD GLU A 43 -29.628 7.534 1.398 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.869 7.502 1.246 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.102 7.511 2.535 1.00 0.00 O ATOM 0 H GLU A 43 -26.210 7.006 -0.385 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.533 5.308 -2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.523 5.883 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.155 5.528 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.759 8.000 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -29.169 8.325 -0.551 1.00 0.00 H new ATOM 683 N GLN A 44 -27.629 8.499 -2.897 1.00 0.00 N ATOM 684 CA GLN A 44 -28.005 9.536 -3.872 1.00 0.00 C ATOM 685 C GLN A 44 -26.950 9.680 -4.984 1.00 0.00 C ATOM 686 O GLN A 44 -27.041 10.611 -5.791 1.00 0.00 O ATOM 687 CB GLN A 44 -28.179 10.900 -3.146 1.00 0.00 C ATOM 688 CG GLN A 44 -29.255 10.921 -2.043 1.00 0.00 C ATOM 689 CD GLN A 44 -29.433 12.277 -1.346 1.00 0.00 C ATOM 690 OE1 GLN A 44 -30.543 12.648 -0.961 1.00 0.00 O ATOM 691 NE2 GLN A 44 -28.347 13.011 -1.148 1.00 0.00 N ATOM 0 H GLN A 44 -26.912 8.805 -2.239 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.945 9.234 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -27.223 11.184 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.426 11.660 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -30.209 10.624 -2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.001 10.173 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -27.440 12.679 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -28.418 13.907 -0.666 1.00 0.00 H new ATOM 700 N LEU A 45 -25.933 8.791 -5.004 1.00 0.00 N ATOM 701 CA LEU A 45 -24.817 8.852 -5.985 1.00 0.00 C ATOM 702 C LEU A 45 -24.612 7.519 -6.713 1.00 0.00 C ATOM 703 O LEU A 45 -25.165 6.477 -6.341 1.00 0.00 O ATOM 704 CB LEU A 45 -23.461 9.280 -5.318 1.00 0.00 C ATOM 705 CG LEU A 45 -23.333 10.774 -4.857 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.854 11.736 -5.943 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.015 11.017 -3.497 1.00 0.00 C ATOM 0 H LEU A 45 -25.858 8.014 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.110 9.611 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.295 8.642 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.657 9.073 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.273 10.984 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.753 12.765 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.274 11.602 -6.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.904 11.522 -6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.903 12.064 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.075 10.773 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.551 10.386 -2.739 1.00 0.00 H new ATOM 719 N ARG A 46 -23.795 7.608 -7.777 1.00 0.00 N ATOM 720 CA ARG A 46 -23.315 6.477 -8.574 1.00 0.00 C ATOM 721 C ARG A 46 -21.788 6.618 -8.678 1.00 0.00 C ATOM 722 O ARG A 46 -21.301 7.696 -9.061 1.00 0.00 O ATOM 723 CB ARG A 46 -23.923 6.492 -10.014 1.00 0.00 C ATOM 724 CG ARG A 46 -25.419 6.843 -10.096 1.00 0.00 C ATOM 725 CD ARG A 46 -25.924 6.926 -11.542 1.00 0.00 C ATOM 726 NE ARG A 46 -27.294 7.462 -11.630 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.348 6.835 -12.173 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.238 5.598 -12.631 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.516 7.447 -12.262 1.00 0.00 N ATOM 0 H ARG A 46 -23.441 8.503 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.611 5.542 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.366 7.208 -10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.772 5.511 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.995 6.092 -9.556 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.593 7.797 -9.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.252 7.558 -12.123 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.896 5.933 -11.991 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.455 8.392 -11.244 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.344 5.110 -12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -29.047 5.132 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.619 8.401 -11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.314 6.965 -12.676 1.00 0.00 H new ATOM 743 N VAL A 47 -21.047 5.559 -8.321 1.00 0.00 N ATOM 744 CA VAL A 47 -19.588 5.499 -8.528 1.00 0.00 C ATOM 745 C VAL A 47 -19.324 5.211 -10.016 1.00 0.00 C ATOM 746 O VAL A 47 -19.844 4.236 -10.558 1.00 0.00 O ATOM 747 CB VAL A 47 -18.925 4.402 -7.614 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.412 4.270 -7.885 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.181 4.720 -6.129 1.00 0.00 C ATOM 0 H VAL A 47 -21.436 4.724 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.140 6.453 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.386 3.445 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.991 3.503 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.252 3.990 -8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.922 5.223 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.717 3.954 -5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.753 5.692 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.254 4.739 -5.941 1.00 0.00 H new ATOM 759 N ILE A 48 -18.548 6.093 -10.670 1.00 0.00 N ATOM 760 CA ILE A 48 -18.377 6.108 -12.135 1.00 0.00 C ATOM 761 C ILE A 48 -16.879 6.075 -12.514 1.00 0.00 C ATOM 762 O ILE A 48 -16.162 7.057 -12.323 1.00 0.00 O ATOM 763 CB ILE A 48 -19.048 7.398 -12.764 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.573 7.502 -12.400 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.841 7.454 -14.296 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.449 6.379 -12.926 1.00 0.00 C ATOM 0 H ILE A 48 -18.017 6.822 -10.193 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.865 5.219 -12.534 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.547 8.261 -12.326 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.668 7.535 -11.315 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.956 8.448 -12.783 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.314 8.352 -14.694 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.774 7.477 -14.518 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.289 6.573 -14.756 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.481 6.548 -12.618 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.394 6.354 -14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.102 5.428 -12.523 1.00 0.00 H new ATOM 778 N TYR A 49 -16.423 4.948 -13.070 1.00 0.00 N ATOM 779 CA TYR A 49 -15.039 4.798 -13.564 1.00 0.00 C ATOM 780 C TYR A 49 -14.996 5.084 -15.062 1.00 0.00 C ATOM 781 O TYR A 49 -15.502 4.286 -15.854 1.00 0.00 O ATOM 782 CB TYR A 49 -14.515 3.371 -13.272 1.00 0.00 C ATOM 783 CG TYR A 49 -13.147 3.007 -13.893 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.054 2.127 -14.976 1.00 0.00 C ATOM 785 CD2 TYR A 49 -11.957 3.515 -13.378 1.00 0.00 C ATOM 786 CE1 TYR A 49 -11.834 1.771 -15.506 1.00 0.00 C ATOM 787 CE2 TYR A 49 -10.742 3.160 -13.914 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.684 2.288 -14.971 1.00 0.00 C ATOM 789 OH TYR A 49 -9.465 1.933 -15.500 1.00 0.00 O ATOM 0 H TYR A 49 -16.996 4.113 -13.193 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.397 5.511 -13.047 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.445 3.246 -12.191 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.255 2.654 -13.629 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.957 1.719 -15.405 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.989 4.200 -12.543 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.784 1.087 -16.340 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.831 3.569 -13.502 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.750 2.387 -15.007 1.00 0.00 H new ATOM 799 N ASN A 50 -14.434 6.254 -15.427 1.00 0.00 N ATOM 800 CA ASN A 50 -14.097 6.608 -16.832 1.00 0.00 C ATOM 801 C ASN A 50 -15.354 6.783 -17.722 1.00 0.00 C ATOM 802 O ASN A 50 -15.253 6.781 -18.955 1.00 0.00 O ATOM 803 CB ASN A 50 -13.109 5.552 -17.455 1.00 0.00 C ATOM 804 CG ASN A 50 -11.699 5.543 -16.834 1.00 0.00 C ATOM 805 OD1 ASN A 50 -10.727 5.199 -17.502 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.557 5.903 -15.563 1.00 0.00 N ATOM 0 H ASN A 50 -14.198 6.986 -14.758 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.598 7.577 -16.801 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.545 4.559 -17.347 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.019 5.746 -18.524 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.633 5.896 -15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.372 6.187 -15.019 1.00 0.00 H new ATOM 813 N GLY A 51 -16.522 6.981 -17.079 1.00 0.00 N ATOM 814 CA GLY A 51 -17.813 7.094 -17.780 1.00 0.00 C ATOM 815 C GLY A 51 -18.692 5.848 -17.639 1.00 0.00 C ATOM 816 O GLY A 51 -19.828 5.838 -18.126 1.00 0.00 O ATOM 0 H GLY A 51 -16.595 7.066 -16.065 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.354 7.957 -17.393 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.629 7.282 -18.838 1.00 0.00 H new ATOM 820 N ARG A 52 -18.153 4.791 -16.990 1.00 0.00 N ATOM 821 CA ARG A 52 -18.870 3.514 -16.759 1.00 0.00 C ATOM 822 C ARG A 52 -19.464 3.484 -15.343 1.00 0.00 C ATOM 823 O ARG A 52 -18.784 3.844 -14.381 1.00 0.00 O ATOM 824 CB ARG A 52 -17.914 2.307 -16.977 1.00 0.00 C ATOM 825 CG ARG A 52 -18.532 0.918 -16.670 1.00 0.00 C ATOM 826 CD ARG A 52 -17.647 -0.244 -17.150 1.00 0.00 C ATOM 827 NE ARG A 52 -18.268 -1.568 -16.926 1.00 0.00 N ATOM 828 CZ ARG A 52 -18.894 -2.309 -17.860 1.00 0.00 C ATOM 829 NH1 ARG A 52 -19.103 -1.832 -19.076 1.00 0.00 N ATOM 830 NH2 ARG A 52 -19.317 -3.531 -17.567 1.00 0.00 N ATOM 0 H ARG A 52 -17.206 4.799 -16.610 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.686 3.439 -17.477 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.573 2.315 -18.012 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.033 2.443 -16.350 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.694 0.826 -15.596 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.509 0.846 -17.147 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.438 -0.121 -18.213 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.690 -0.204 -16.630 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.218 -1.953 -15.983 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -18.789 -0.892 -19.316 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -19.578 -2.404 -19.774 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.169 -3.912 -16.632 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.791 -4.090 -18.276 1.00 0.00 H new ATOM 844 N GLU A 53 -20.733 3.035 -15.232 1.00 0.00 N ATOM 845 CA GLU A 53 -21.432 2.926 -13.942 1.00 0.00 C ATOM 846 C GLU A 53 -20.997 1.641 -13.219 1.00 0.00 C ATOM 847 O GLU A 53 -21.030 0.553 -13.809 1.00 0.00 O ATOM 848 CB GLU A 53 -22.969 2.951 -14.135 1.00 0.00 C ATOM 849 CG GLU A 53 -23.773 3.118 -12.818 1.00 0.00 C ATOM 850 CD GLU A 53 -25.292 2.998 -13.021 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.844 1.888 -12.843 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.935 4.006 -13.381 1.00 0.00 O ATOM 0 H GLU A 53 -21.295 2.741 -16.031 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.162 3.786 -13.329 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.226 3.767 -14.810 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.278 2.026 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.447 2.363 -12.102 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.546 4.091 -12.381 1.00 0.00 H new ATOM 859 N LEU A 54 -20.562 1.781 -11.955 1.00 0.00 N ATOM 860 CA LEU A 54 -20.023 0.665 -11.161 1.00 0.00 C ATOM 861 C LEU A 54 -21.086 0.157 -10.185 1.00 0.00 C ATOM 862 O LEU A 54 -21.569 0.909 -9.322 1.00 0.00 O ATOM 863 CB LEU A 54 -18.741 1.095 -10.397 1.00 0.00 C ATOM 864 CG LEU A 54 -17.634 1.836 -11.230 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.311 1.914 -10.447 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.437 1.199 -12.627 1.00 0.00 C ATOM 0 H LEU A 54 -20.574 2.670 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.752 -0.144 -11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.038 1.745 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.294 0.204 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.980 2.856 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.563 2.432 -11.047 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.470 2.459 -9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.962 0.906 -10.222 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.663 1.742 -13.169 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.137 0.157 -12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.372 1.248 -13.184 1.00 0.00 H new ATOM 878 N GLU A 55 -21.437 -1.123 -10.339 1.00 0.00 N ATOM 879 CA GLU A 55 -22.494 -1.774 -9.554 1.00 0.00 C ATOM 880 C GLU A 55 -21.963 -2.149 -8.158 1.00 0.00 C ATOM 881 O GLU A 55 -20.885 -2.750 -8.070 1.00 0.00 O ATOM 882 CB GLU A 55 -22.990 -3.039 -10.290 1.00 0.00 C ATOM 883 CG GLU A 55 -23.370 -2.803 -11.764 1.00 0.00 C ATOM 884 CD GLU A 55 -23.840 -4.081 -12.465 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.002 -4.495 -12.259 1.00 0.00 O ATOM 886 OE2 GLU A 55 -23.042 -4.698 -13.206 1.00 0.00 O ATOM 0 H GLU A 55 -20.993 -1.743 -11.017 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.327 -1.081 -9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.212 -3.801 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.857 -3.437 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.160 -2.054 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.510 -2.397 -12.296 1.00 0.00 H new ATOM 893 N PRO A 56 -22.723 -1.841 -7.054 1.00 0.00 N ATOM 894 CA PRO A 56 -22.273 -2.084 -5.648 1.00 0.00 C ATOM 895 C PRO A 56 -21.985 -3.577 -5.353 1.00 0.00 C ATOM 896 O PRO A 56 -21.133 -3.906 -4.518 1.00 0.00 O ATOM 897 CB PRO A 56 -23.452 -1.532 -4.789 1.00 0.00 C ATOM 898 CG PRO A 56 -24.638 -1.554 -5.708 1.00 0.00 C ATOM 899 CD PRO A 56 -24.087 -1.230 -7.081 1.00 0.00 C ATOM 0 HA PRO A 56 -21.323 -1.596 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.623 -2.150 -3.908 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.245 -0.522 -4.435 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.124 -2.530 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.386 -0.823 -5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.703 -1.655 -7.873 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.043 -0.155 -7.254 1.00 0.00 H new ATOM 907 N ARG A 57 -22.670 -4.458 -6.105 1.00 0.00 N ATOM 908 CA ARG A 57 -22.579 -5.929 -5.952 1.00 0.00 C ATOM 909 C ARG A 57 -21.297 -6.524 -6.590 1.00 0.00 C ATOM 910 O ARG A 57 -21.062 -7.734 -6.499 1.00 0.00 O ATOM 911 CB ARG A 57 -23.869 -6.581 -6.549 1.00 0.00 C ATOM 912 CG ARG A 57 -24.180 -6.266 -8.051 1.00 0.00 C ATOM 913 CD ARG A 57 -23.473 -7.214 -9.047 1.00 0.00 C ATOM 914 NE ARG A 57 -23.802 -6.915 -10.455 1.00 0.00 N ATOM 915 CZ ARG A 57 -23.830 -7.809 -11.464 1.00 0.00 C ATOM 916 NH1 ARG A 57 -23.639 -9.106 -11.234 1.00 0.00 N ATOM 917 NH2 ARG A 57 -24.073 -7.397 -12.700 1.00 0.00 N ATOM 0 H ARG A 57 -23.310 -4.169 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.508 -6.157 -4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.788 -7.662 -6.437 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.722 -6.261 -5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -25.257 -6.325 -8.209 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.882 -5.240 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -22.394 -7.141 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -23.754 -8.243 -8.824 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.028 -5.947 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -23.469 -9.436 -10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.663 -9.770 -12.008 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.238 -6.407 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -24.095 -8.069 -13.467 1.00 0.00 H new ATOM 931 N THR A 58 -20.488 -5.672 -7.240 1.00 0.00 N ATOM 932 CA THR A 58 -19.303 -6.097 -8.013 1.00 0.00 C ATOM 933 C THR A 58 -18.005 -5.632 -7.303 1.00 0.00 C ATOM 934 O THR A 58 -18.041 -4.677 -6.524 1.00 0.00 O ATOM 935 CB THR A 58 -19.391 -5.490 -9.450 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.711 -5.694 -9.991 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.363 -6.096 -10.420 1.00 0.00 C ATOM 0 H THR A 58 -20.636 -4.663 -7.246 1.00 0.00 H new ATOM 0 HA THR A 58 -19.279 -7.185 -8.081 1.00 0.00 H new ATOM 0 HB THR A 58 -19.171 -4.427 -9.351 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.759 -5.309 -10.891 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.473 -5.635 -11.402 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.356 -5.913 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.530 -7.170 -10.503 1.00 0.00 H new ATOM 945 N THR A 59 -16.872 -6.330 -7.560 1.00 0.00 N ATOM 946 CA THR A 59 -15.544 -5.955 -7.021 1.00 0.00 C ATOM 947 C THR A 59 -14.789 -4.992 -7.965 1.00 0.00 C ATOM 948 O THR A 59 -15.200 -4.758 -9.112 1.00 0.00 O ATOM 949 CB THR A 59 -14.672 -7.226 -6.717 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.701 -8.130 -7.832 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.150 -7.954 -5.452 1.00 0.00 C ATOM 0 H THR A 59 -16.854 -7.166 -8.145 1.00 0.00 H new ATOM 0 HA THR A 59 -15.721 -5.428 -6.083 1.00 0.00 H new ATOM 0 HB THR A 59 -13.650 -6.886 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.152 -8.916 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.522 -8.827 -5.275 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.084 -7.281 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.184 -8.272 -5.584 1.00 0.00 H new ATOM 959 N LEU A 60 -13.665 -4.452 -7.448 1.00 0.00 N ATOM 960 CA LEU A 60 -12.835 -3.421 -8.114 1.00 0.00 C ATOM 961 C LEU A 60 -12.049 -4.005 -9.294 1.00 0.00 C ATOM 962 O LEU A 60 -11.943 -3.381 -10.359 1.00 0.00 O ATOM 963 CB LEU A 60 -11.851 -2.783 -7.077 1.00 0.00 C ATOM 964 CG LEU A 60 -12.395 -1.575 -6.249 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.721 -1.897 -5.548 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.341 -1.084 -5.242 1.00 0.00 C ATOM 0 H LEU A 60 -13.300 -4.726 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.502 -2.653 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.539 -3.561 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.958 -2.456 -7.611 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.600 -0.770 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.057 -1.025 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.472 -2.160 -6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.578 -2.735 -4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.742 -0.243 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.087 -1.893 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.446 -0.768 -5.777 1.00 0.00 H new ATOM 978 N GLU A 61 -11.498 -5.204 -9.069 1.00 0.00 N ATOM 979 CA GLU A 61 -10.722 -5.966 -10.073 1.00 0.00 C ATOM 980 C GLU A 61 -11.523 -6.191 -11.383 1.00 0.00 C ATOM 981 O GLU A 61 -10.951 -6.229 -12.477 1.00 0.00 O ATOM 982 CB GLU A 61 -10.288 -7.315 -9.440 1.00 0.00 C ATOM 983 CG GLU A 61 -11.460 -8.156 -8.874 1.00 0.00 C ATOM 984 CD GLU A 61 -11.001 -9.409 -8.112 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.891 -10.492 -8.731 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.726 -9.311 -6.894 1.00 0.00 O ATOM 0 H GLU A 61 -11.576 -5.685 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.841 -5.388 -10.353 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.762 -7.904 -10.192 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.578 -7.115 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.056 -7.533 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.111 -8.457 -9.695 1.00 0.00 H new ATOM 993 N GLU A 62 -12.856 -6.289 -11.240 1.00 0.00 N ATOM 994 CA GLU A 62 -13.800 -6.507 -12.353 1.00 0.00 C ATOM 995 C GLU A 62 -13.978 -5.256 -13.237 1.00 0.00 C ATOM 996 O GLU A 62 -14.357 -5.373 -14.410 1.00 0.00 O ATOM 997 CB GLU A 62 -15.168 -6.945 -11.772 1.00 0.00 C ATOM 998 CG GLU A 62 -15.140 -8.269 -10.988 1.00 0.00 C ATOM 999 CD GLU A 62 -14.922 -9.497 -11.888 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.924 -10.031 -12.420 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.767 -9.929 -12.084 1.00 0.00 O ATOM 0 H GLU A 62 -13.317 -6.218 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.387 -7.286 -12.994 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.537 -6.157 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.882 -7.038 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.346 -8.226 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.079 -8.384 -10.447 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.715 -4.065 -12.672 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.820 -2.776 -13.406 1.00 0.00 C ATOM 1010 C TYR A 63 -12.444 -2.170 -13.713 1.00 0.00 C ATOM 1011 O TYR A 63 -12.385 -1.048 -14.230 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.668 -1.757 -12.609 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.146 -2.134 -12.479 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.951 -2.252 -13.615 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.734 -2.359 -11.241 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.284 -2.579 -13.511 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.063 -2.683 -11.137 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.834 -2.800 -12.272 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.161 -3.140 -12.163 1.00 0.00 O ATOM 0 H TYR A 63 -13.425 -3.961 -11.700 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.311 -2.995 -14.354 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.243 -1.650 -11.611 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.594 -0.783 -13.093 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.520 -2.084 -14.591 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.135 -2.278 -10.346 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.894 -2.661 -14.399 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.505 -2.846 -10.165 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.296 -4.047 -12.509 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.354 -2.908 -13.389 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.960 -2.447 -13.601 1.00 0.00 C ATOM 1031 C ASN A 64 -9.694 -1.153 -12.787 1.00 0.00 C ATOM 1032 O ASN A 64 -9.050 -0.198 -13.250 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.670 -2.280 -15.133 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.197 -2.023 -15.477 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.410 -2.960 -15.634 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.816 -0.758 -15.623 1.00 0.00 N ATOM 0 H ASN A 64 -11.416 -3.838 -12.974 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.263 -3.199 -13.231 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.000 -3.180 -15.653 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.269 -1.453 -15.515 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.851 -0.542 -15.871 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.489 -0.004 -15.487 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.214 -1.133 -11.551 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.957 -0.042 -10.606 1.00 0.00 C ATOM 1045 C ILE A 65 -8.515 -0.193 -10.085 1.00 0.00 C ATOM 1046 O ILE A 65 -8.267 -0.907 -9.116 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.991 -0.034 -9.419 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.460 -0.042 -9.952 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.761 1.168 -8.470 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.839 1.163 -10.783 1.00 0.00 C ATOM 0 H ILE A 65 -10.819 -1.867 -11.183 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.076 0.914 -11.117 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.831 -0.946 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.610 -0.940 -10.551 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.140 -0.108 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.493 1.140 -7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.757 1.113 -8.050 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.871 2.098 -9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.875 1.069 -11.108 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.727 2.067 -10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.189 1.222 -11.656 1.00 0.00 H new ATOM 1062 N THR A 66 -7.581 0.410 -10.828 1.00 0.00 N ATOM 1063 CA THR A 66 -6.127 0.326 -10.587 1.00 0.00 C ATOM 1064 C THR A 66 -5.588 1.619 -9.914 1.00 0.00 C ATOM 1065 O THR A 66 -6.288 2.627 -9.903 1.00 0.00 O ATOM 1066 CB THR A 66 -5.417 0.020 -11.958 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.980 0.833 -13.008 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.539 -1.473 -12.324 1.00 0.00 C ATOM 0 H THR A 66 -7.816 0.986 -11.636 1.00 0.00 H new ATOM 0 HA THR A 66 -5.910 -0.481 -9.888 1.00 0.00 H new ATOM 0 HB THR A 66 -4.360 0.261 -11.850 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.528 0.633 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.040 -1.656 -13.276 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.072 -2.078 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.592 -1.742 -12.409 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.339 1.611 -9.313 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.820 2.778 -8.549 1.00 0.00 C ATOM 1078 C PRO A 67 -3.652 4.038 -9.432 1.00 0.00 C ATOM 1079 O PRO A 67 -2.960 4.009 -10.455 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.459 2.277 -7.980 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.052 1.156 -8.891 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.343 0.498 -9.331 1.00 0.00 C ATOM 0 HA PRO A 67 -4.510 3.095 -7.767 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.715 3.073 -7.976 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.563 1.933 -6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.492 1.531 -9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.407 0.446 -8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.250 0.061 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.631 -0.307 -8.655 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.342 5.118 -9.037 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.203 6.423 -9.669 1.00 0.00 C ATOM 1092 C GLY A 68 -5.383 6.803 -10.542 1.00 0.00 C ATOM 1093 O GLY A 68 -5.425 7.921 -11.057 1.00 0.00 O ATOM 0 H GLY A 68 -5.012 5.103 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.075 7.180 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.297 6.430 -10.274 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.350 5.886 -10.720 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.520 6.136 -11.580 1.00 0.00 C ATOM 1099 C VAL A 69 -8.519 7.089 -10.893 1.00 0.00 C ATOM 1100 O VAL A 69 -8.687 7.052 -9.666 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.230 4.802 -12.009 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.243 3.861 -12.748 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.908 4.087 -10.810 1.00 0.00 C ATOM 0 H VAL A 69 -6.344 4.966 -10.280 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.153 6.617 -12.487 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.026 5.069 -12.704 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.759 2.945 -13.034 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.865 4.359 -13.641 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.410 3.617 -12.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.385 3.170 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.156 3.844 -10.059 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.659 4.744 -10.372 1.00 0.00 H new ATOM 1113 N THR A 70 -9.162 7.953 -11.695 1.00 0.00 N ATOM 1114 CA THR A 70 -10.108 8.961 -11.201 1.00 0.00 C ATOM 1115 C THR A 70 -11.560 8.514 -11.488 1.00 0.00 C ATOM 1116 O THR A 70 -12.025 8.537 -12.635 1.00 0.00 O ATOM 1117 CB THR A 70 -9.827 10.359 -11.843 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.445 10.701 -11.638 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.722 11.465 -11.239 1.00 0.00 C ATOM 0 H THR A 70 -9.038 7.970 -12.707 1.00 0.00 H new ATOM 0 HA THR A 70 -9.975 9.056 -10.123 1.00 0.00 H new ATOM 0 HB THR A 70 -10.055 10.292 -12.907 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.387 11.534 -11.125 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.493 12.419 -11.714 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.770 11.218 -11.408 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.535 11.539 -10.168 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.218 8.022 -10.428 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.674 7.788 -10.374 1.00 0.00 C ATOM 1129 C LEU A 71 -14.412 9.133 -10.270 1.00 0.00 C ATOM 1130 O LEU A 71 -13.806 10.170 -9.991 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.034 6.876 -9.151 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.797 5.326 -9.300 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.453 4.973 -9.971 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.901 4.638 -7.923 1.00 0.00 C ATOM 0 H LEU A 71 -11.743 7.769 -9.562 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.986 7.280 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.458 7.223 -8.293 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.086 7.033 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.580 4.955 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.355 3.890 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.421 5.406 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.633 5.373 -9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.735 3.567 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.148 5.051 -7.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.893 4.809 -7.505 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.730 9.094 -10.491 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.600 10.281 -10.506 1.00 0.00 C ATOM 1148 C GLU A 72 -17.928 9.939 -9.812 1.00 0.00 C ATOM 1149 O GLU A 72 -18.330 8.770 -9.780 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.851 10.755 -11.969 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.576 11.161 -12.750 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.837 11.428 -14.236 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.071 12.601 -14.613 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.818 10.465 -15.036 1.00 0.00 O ATOM 0 H GLU A 72 -16.233 8.224 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.112 11.095 -9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.354 9.956 -12.513 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.533 11.605 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.149 12.056 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.832 10.370 -12.655 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.585 10.950 -9.223 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.917 10.792 -8.606 1.00 0.00 C ATOM 1163 C LEU A 73 -20.975 11.537 -9.409 1.00 0.00 C ATOM 1164 O LEU A 73 -20.964 12.767 -9.487 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.928 11.249 -7.121 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.125 10.346 -6.132 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.235 10.860 -4.675 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.578 8.862 -6.239 1.00 0.00 C ATOM 0 H LEU A 73 -18.212 11.897 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.156 9.729 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.527 12.261 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.963 11.298 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.074 10.399 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.664 10.207 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.838 11.873 -4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.281 10.862 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.003 8.255 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.638 8.787 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.410 8.503 -7.254 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.858 10.759 -10.038 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.064 11.261 -10.713 1.00 0.00 C ATOM 1182 C LYS A 74 -24.250 11.094 -9.764 1.00 0.00 C ATOM 1183 O LYS A 74 -24.270 10.147 -8.974 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.313 10.480 -12.045 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.545 11.001 -13.286 1.00 0.00 C ATOM 1186 CD LYS A 74 -21.014 11.100 -13.097 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.292 11.569 -14.368 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.759 12.911 -14.804 1.00 0.00 N ATOM 0 H LYS A 74 -21.757 9.746 -10.096 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.936 12.314 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.045 9.435 -11.887 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.380 10.505 -12.265 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.752 10.342 -14.129 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.930 11.986 -13.549 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.796 11.792 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.624 10.126 -12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.218 11.599 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.459 10.848 -15.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.148 13.260 -15.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.739 12.843 -15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.718 13.571 -14.001 1.00 0.00 H new ATOM 1202 N THR A 75 -25.228 12.009 -9.845 1.00 0.00 N ATOM 1203 CA THR A 75 -26.455 11.922 -9.039 1.00 0.00 C ATOM 1204 C THR A 75 -27.274 10.689 -9.470 1.00 0.00 C ATOM 1205 O THR A 75 -27.330 10.363 -10.660 1.00 0.00 O ATOM 1206 CB THR A 75 -27.324 13.220 -9.169 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.658 13.460 -10.552 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.609 14.456 -8.583 1.00 0.00 C ATOM 0 H THR A 75 -25.192 12.820 -10.463 1.00 0.00 H new ATOM 0 HA THR A 75 -26.166 11.821 -7.993 1.00 0.00 H new ATOM 0 HB THR A 75 -28.236 13.059 -8.594 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.202 14.272 -10.621 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.247 15.332 -8.695 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.402 14.290 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.672 14.620 -9.114 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.858 9.983 -8.496 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.713 8.820 -8.749 1.00 0.00 C ATOM 1218 C ARG A 76 -30.168 9.246 -8.542 1.00 0.00 C ATOM 1219 O ARG A 76 -30.672 9.260 -7.407 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.312 7.627 -7.828 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.911 6.267 -8.255 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.308 5.076 -7.482 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.820 4.950 -6.108 1.00 0.00 N ATOM 1224 CZ ARG A 76 -28.265 4.186 -5.153 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -27.083 3.615 -5.334 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -28.886 4.038 -3.997 1.00 0.00 N ATOM 0 H ARG A 76 -27.750 10.204 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.587 8.470 -9.774 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.225 7.544 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.629 7.847 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.990 6.286 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.745 6.122 -9.323 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -28.519 4.155 -8.026 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -27.224 5.185 -7.449 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.656 5.481 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.579 3.752 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -26.677 3.038 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -29.780 4.502 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -28.472 3.460 -3.266 1.00 0.00 H new