USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 730 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 2.46 (180deg=1.53) USER MOD Single : A 14 ASN : amide:sc= -0.029 K(o=-0.029,f=-0.84) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00191) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.324) USER MOD Single : A 29 SER OG : rot 173:sc= 1.26 USER MOD Single : A 36 TYR OH : rot 144:sc= 0.0623 USER MOD Single : A 46 SER OG : rot 26:sc= 1.27 USER MOD Single : A 47 MET CE :methyl 173:sc= -1.05 (180deg=-1.14) USER MOD Single : A 53 THR OG1 : rot 74:sc= 1.1 USER MOD Single : A 55 LYS NZ :NH3+ 161:sc= -0.053 (180deg=-0.35) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 6:sc= 1.1 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.024) USER MOD Single : A 76 MET CE :methyl -167:sc= -1.98 (180deg=-2.79) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -167:sc= -0.0203 (180deg=-0.381) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.813 X(o=-0.81,f=-0.75) USER MOD Single : A 89 THR OG1 : rot 78:sc= 0.889 USER MOD Single : A 90 HIS : no HD1:sc= -0.0475 X(o=-0.047,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.001 15.852 1.242 1.00 1.00 N ATOM 2 CA MET A 1 -6.442 15.768 0.994 1.00 1.00 C ATOM 3 C MET A 1 -6.769 14.422 0.383 1.00 1.00 C ATOM 4 O MET A 1 -5.924 13.797 -0.260 1.00 1.00 O ATOM 5 CB MET A 1 -6.942 16.875 0.059 1.00 1.00 C ATOM 6 CG MET A 1 -6.900 18.245 0.725 1.00 1.00 C ATOM 7 SD MET A 1 -5.251 18.960 0.895 1.00 1.00 S ATOM 8 CE MET A 1 -5.729 20.391 1.879 1.00 1.00 C ATOM 0 H1 MET A 1 -4.713 16.851 1.283 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.777 15.390 2.146 1.00 1.00 H new ATOM 0 H3 MET A 1 -4.488 15.375 0.473 1.00 1.00 H new ATOM 0 HA MET A 1 -6.944 15.893 1.953 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.331 16.891 -0.843 1.00 1.00 H new ATOM 0 HB3 MET A 1 -7.963 16.654 -0.252 1.00 1.00 H new ATOM 0 HG2 MET A 1 -7.520 18.932 0.149 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.349 18.165 1.715 1.00 1.00 H new ATOM 0 HE1 MET A 1 -4.846 20.988 2.105 1.00 1.00 H new ATOM 0 HE2 MET A 1 -6.442 20.996 1.319 1.00 1.00 H new ATOM 0 HE3 MET A 1 -6.188 20.056 2.809 1.00 1.00 H new ATOM 20 N GLY A 2 -8.032 14.036 0.501 1.00 1.00 N ATOM 21 CA GLY A 2 -8.729 13.331 -0.549 1.00 1.00 C ATOM 22 C GLY A 2 -8.998 11.878 -0.227 1.00 1.00 C ATOM 23 O GLY A 2 -8.376 11.275 0.654 1.00 1.00 O ATOM 0 H GLY A 2 -8.598 14.207 1.332 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.677 13.833 -0.745 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -8.142 13.389 -1.466 1.00 1.00 H new ATOM 27 N ARG A 3 -9.900 11.305 -1.025 1.00 1.00 N ATOM 28 CA ARG A 3 -10.287 9.904 -0.950 1.00 1.00 C ATOM 29 C ARG A 3 -9.097 8.978 -1.074 1.00 1.00 C ATOM 30 O ARG A 3 -9.233 7.858 -0.615 1.00 1.00 O ATOM 31 CB ARG A 3 -11.343 9.566 -2.006 1.00 1.00 C ATOM 32 CG ARG A 3 -12.741 10.072 -1.627 1.00 1.00 C ATOM 33 CD ARG A 3 -13.460 9.075 -0.705 1.00 1.00 C ATOM 34 NE ARG A 3 -14.618 9.674 -0.023 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.820 9.962 -0.534 1.00 1.00 C ATOM 36 NH1 ARG A 3 -16.065 9.798 -1.827 1.00 1.00 N ATOM 37 NH2 ARG A 3 -16.768 10.426 0.273 1.00 1.00 N ATOM 0 H ARG A 3 -10.391 11.818 -1.757 1.00 1.00 H new ATOM 0 HA ARG A 3 -10.722 9.748 0.037 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.049 10.003 -2.961 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.378 8.486 -2.147 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -12.659 11.038 -1.129 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.332 10.228 -2.530 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -13.791 8.217 -1.290 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -12.757 8.701 0.039 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.488 9.898 0.964 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.332 9.448 -2.445 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.986 10.021 -2.204 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -16.573 10.558 1.266 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -17.690 10.651 -0.100 1.00 1.00 H new ATOM 51 N ALA A 4 -7.958 9.396 -1.632 1.00 1.00 N ATOM 52 CA ALA A 4 -6.759 8.569 -1.660 1.00 1.00 C ATOM 53 C ALA A 4 -6.437 8.084 -0.252 1.00 1.00 C ATOM 54 O ALA A 4 -6.330 6.886 -0.012 1.00 1.00 O ATOM 55 CB ALA A 4 -5.576 9.375 -2.200 1.00 1.00 C ATOM 0 H ALA A 4 -7.846 10.309 -2.072 1.00 1.00 H new ATOM 0 HA ALA A 4 -6.937 7.713 -2.311 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.685 8.747 -2.217 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -5.799 9.715 -3.211 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.400 10.238 -1.557 1.00 1.00 H new ATOM 61 N ARG A 5 -6.303 9.025 0.688 1.00 1.00 N ATOM 62 CA ARG A 5 -5.947 8.715 2.065 1.00 1.00 C ATOM 63 C ARG A 5 -7.024 7.820 2.652 1.00 1.00 C ATOM 64 O ARG A 5 -6.713 6.780 3.222 1.00 1.00 O ATOM 65 CB ARG A 5 -5.790 9.994 2.907 1.00 1.00 C ATOM 66 CG ARG A 5 -4.973 11.091 2.211 1.00 1.00 C ATOM 67 CD ARG A 5 -4.701 12.269 3.156 1.00 1.00 C ATOM 68 NE ARG A 5 -3.293 12.384 3.578 1.00 1.00 N ATOM 69 CZ ARG A 5 -2.744 11.984 4.733 1.00 1.00 C ATOM 70 NH1 ARG A 5 -3.406 11.219 5.598 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.509 12.373 5.029 1.00 1.00 N ATOM 0 H ARG A 5 -6.439 10.020 0.510 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.985 8.202 2.079 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.779 10.385 3.146 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.311 9.740 3.852 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.027 10.677 1.862 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.510 11.445 1.331 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.999 13.194 2.662 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -5.328 12.164 4.041 1.00 1.00 H new ATOM 0 HE ARG A 5 -2.659 12.822 2.909 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -4.359 10.921 5.390 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.960 10.931 6.469 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -0.993 12.968 4.381 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -1.077 12.077 5.904 1.00 1.00 H new ATOM 85 N ASP A 6 -8.286 8.205 2.463 1.00 1.00 N ATOM 86 CA ASP A 6 -9.416 7.509 3.058 1.00 1.00 C ATOM 87 C ASP A 6 -9.497 6.081 2.535 1.00 1.00 C ATOM 88 O ASP A 6 -9.818 5.168 3.283 1.00 1.00 O ATOM 89 CB ASP A 6 -10.722 8.248 2.745 1.00 1.00 C ATOM 90 CG ASP A 6 -10.724 9.698 3.216 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.288 9.980 4.354 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.154 10.577 2.432 1.00 1.00 O ATOM 0 H ASP A 6 -8.549 9.009 1.892 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.271 7.483 4.138 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.896 8.223 1.669 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.552 7.720 3.215 1.00 1.00 H new ATOM 97 N ALA A 7 -9.225 5.879 1.246 1.00 1.00 N ATOM 98 CA ALA A 7 -9.325 4.614 0.545 1.00 1.00 C ATOM 99 C ALA A 7 -8.179 3.688 0.935 1.00 1.00 C ATOM 100 O ALA A 7 -8.428 2.500 1.136 1.00 1.00 O ATOM 101 CB ALA A 7 -9.339 4.871 -0.964 1.00 1.00 C ATOM 0 H ALA A 7 -8.914 6.636 0.638 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.254 4.119 0.827 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.414 3.922 -1.494 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.194 5.497 -1.218 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.419 5.377 -1.255 1.00 1.00 H new ATOM 107 N ILE A 8 -6.945 4.199 1.029 1.00 1.00 N ATOM 108 CA ILE A 8 -5.804 3.416 1.497 1.00 1.00 C ATOM 109 C ILE A 8 -6.128 2.989 2.933 1.00 1.00 C ATOM 110 O ILE A 8 -6.052 1.803 3.241 1.00 1.00 O ATOM 111 CB ILE A 8 -4.480 4.213 1.360 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.183 4.577 -0.116 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.271 3.459 1.937 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.299 5.826 -0.230 1.00 1.00 C ATOM 0 H ILE A 8 -6.714 5.162 0.783 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.644 2.527 0.888 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.628 5.124 1.940 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.690 3.737 -0.605 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.121 4.747 -0.644 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.372 4.064 1.814 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.435 3.265 2.997 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.147 2.513 1.410 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.115 6.047 -1.281 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.804 6.673 0.235 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.350 5.647 0.275 1.00 1.00 H new ATOM 126 N LEU A 9 -6.556 3.921 3.791 1.00 1.00 N ATOM 127 CA LEU A 9 -6.902 3.640 5.179 1.00 1.00 C ATOM 128 C LEU A 9 -8.027 2.606 5.267 1.00 1.00 C ATOM 129 O LEU A 9 -7.924 1.650 6.032 1.00 1.00 O ATOM 130 CB LEU A 9 -7.251 4.963 5.879 1.00 1.00 C ATOM 131 CG LEU A 9 -7.375 4.937 7.416 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.768 4.497 7.877 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.281 4.112 8.108 1.00 1.00 C ATOM 0 H LEU A 9 -6.672 4.901 3.533 1.00 1.00 H new ATOM 0 HA LEU A 9 -6.051 3.196 5.695 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.489 5.696 5.614 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.195 5.322 5.470 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.226 5.970 7.729 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.807 4.494 8.966 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.515 5.189 7.489 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.975 3.494 7.504 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.432 4.139 9.187 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.329 3.080 7.761 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.303 4.530 7.868 1.00 1.00 H new ATOM 145 N ASP A 10 -9.077 2.769 4.458 1.00 1.00 N ATOM 146 CA ASP A 10 -10.213 1.847 4.352 1.00 1.00 C ATOM 147 C ASP A 10 -9.696 0.445 4.059 1.00 1.00 C ATOM 148 O ASP A 10 -10.065 -0.505 4.752 1.00 1.00 O ATOM 149 CB ASP A 10 -11.179 2.216 3.204 1.00 1.00 C ATOM 150 CG ASP A 10 -12.186 3.326 3.470 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.630 3.496 4.628 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.639 3.958 2.486 1.00 1.00 O ATOM 0 H ASP A 10 -9.163 3.574 3.837 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.749 1.906 5.299 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.581 2.503 2.339 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.732 1.318 2.926 1.00 1.00 H new ATOM 157 N ALA A 11 -8.850 0.331 3.032 1.00 1.00 N ATOM 158 CA ALA A 11 -8.261 -0.912 2.578 1.00 1.00 C ATOM 159 C ALA A 11 -7.490 -1.566 3.716 1.00 1.00 C ATOM 160 O ALA A 11 -7.779 -2.706 4.061 1.00 1.00 O ATOM 161 CB ALA A 11 -7.371 -0.654 1.357 1.00 1.00 C ATOM 0 H ALA A 11 -8.552 1.135 2.480 1.00 1.00 H new ATOM 0 HA ALA A 11 -9.048 -1.602 2.272 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.932 -1.594 1.022 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -7.971 -0.227 0.553 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.577 0.042 1.626 1.00 1.00 H new ATOM 167 N LEU A 12 -6.543 -0.846 4.316 1.00 1.00 N ATOM 168 CA LEU A 12 -5.672 -1.357 5.370 1.00 1.00 C ATOM 169 C LEU A 12 -6.496 -1.914 6.524 1.00 1.00 C ATOM 170 O LEU A 12 -6.185 -2.976 7.055 1.00 1.00 O ATOM 171 CB LEU A 12 -4.844 -0.235 5.970 1.00 1.00 C ATOM 172 CG LEU A 12 -3.594 0.245 5.227 1.00 1.00 C ATOM 173 CD1 LEU A 12 -3.467 -0.230 3.767 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.544 1.764 5.384 1.00 1.00 C ATOM 0 H LEU A 12 -6.357 0.128 4.077 1.00 1.00 H new ATOM 0 HA LEU A 12 -5.045 -2.123 4.914 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -5.501 0.625 6.099 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.534 -0.552 6.966 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.717 -0.221 5.677 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -2.548 0.166 3.334 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -3.441 -1.319 3.740 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.322 0.127 3.193 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.666 2.154 4.869 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.443 2.204 4.953 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.487 2.019 6.442 1.00 1.00 H new ATOM 186 N GLU A 13 -7.503 -1.159 6.961 1.00 1.00 N ATOM 187 CA GLU A 13 -8.390 -1.552 8.041 1.00 1.00 C ATOM 188 C GLU A 13 -9.152 -2.825 7.630 1.00 1.00 C ATOM 189 O GLU A 13 -9.306 -3.738 8.440 1.00 1.00 O ATOM 190 CB GLU A 13 -9.314 -0.386 8.433 1.00 1.00 C ATOM 191 CG GLU A 13 -8.580 0.753 9.175 1.00 1.00 C ATOM 192 CD GLU A 13 -8.084 0.399 10.583 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.328 -0.726 11.072 1.00 1.00 O ATOM 194 OE2 GLU A 13 -7.485 1.277 11.256 1.00 1.00 O ATOM 0 H GLU A 13 -7.724 -0.245 6.565 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.816 -1.791 8.936 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.780 0.017 7.534 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -10.117 -0.765 9.066 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.726 1.066 8.574 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -9.250 1.610 9.247 1.00 1.00 H new ATOM 201 N ASN A 14 -9.645 -2.888 6.383 1.00 1.00 N ATOM 202 CA ASN A 14 -10.300 -4.057 5.806 1.00 1.00 C ATOM 203 C ASN A 14 -9.369 -5.264 5.647 1.00 1.00 C ATOM 204 O ASN A 14 -9.865 -6.374 5.425 1.00 1.00 O ATOM 205 CB ASN A 14 -10.970 -3.707 4.465 1.00 1.00 C ATOM 206 CG ASN A 14 -12.332 -3.045 4.629 1.00 1.00 C ATOM 207 OD1 ASN A 14 -13.105 -3.390 5.520 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.689 -2.095 3.788 1.00 1.00 N ATOM 0 H ASN A 14 -9.594 -2.101 5.736 1.00 1.00 H new ATOM 0 HA ASN A 14 -11.067 -4.355 6.521 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.315 -3.042 3.902 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -11.084 -4.616 3.875 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.603 -1.650 3.879 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -12.052 -1.804 3.046 1.00 1.00 H new ATOM 215 N LEU A 15 -8.044 -5.109 5.736 1.00 1.00 N ATOM 216 CA LEU A 15 -7.110 -6.220 5.714 1.00 1.00 C ATOM 217 C LEU A 15 -7.024 -6.771 7.141 1.00 1.00 C ATOM 218 O LEU A 15 -7.677 -6.289 8.070 1.00 1.00 O ATOM 219 CB LEU A 15 -5.726 -5.734 5.225 1.00 1.00 C ATOM 220 CG LEU A 15 -5.620 -5.292 3.753 1.00 1.00 C ATOM 221 CD1 LEU A 15 -4.160 -5.052 3.357 1.00 1.00 C ATOM 222 CD2 LEU A 15 -6.240 -6.306 2.798 1.00 1.00 C ATOM 0 H LEU A 15 -7.594 -4.198 5.826 1.00 1.00 H new ATOM 0 HA LEU A 15 -7.444 -7.001 5.031 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -5.420 -4.897 5.853 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -5.007 -6.537 5.390 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.180 -4.360 3.670 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.112 -4.741 2.313 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.735 -4.271 3.988 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.592 -5.973 3.487 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -6.140 -5.949 1.773 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.728 -7.263 2.900 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.296 -6.432 3.037 1.00 1.00 H new ATOM 234 N THR A 16 -6.231 -7.814 7.324 1.00 1.00 N ATOM 235 CA THR A 16 -5.920 -8.414 8.613 1.00 1.00 C ATOM 236 C THR A 16 -4.411 -8.402 8.784 1.00 1.00 C ATOM 237 O THR A 16 -3.691 -8.043 7.856 1.00 1.00 O ATOM 238 CB THR A 16 -6.508 -9.830 8.699 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.197 -10.567 7.531 1.00 1.00 O ATOM 240 CG2 THR A 16 -8.021 -9.787 8.903 1.00 1.00 C ATOM 0 H THR A 16 -5.767 -8.286 6.548 1.00 1.00 H new ATOM 0 HA THR A 16 -6.370 -7.845 9.426 1.00 1.00 H new ATOM 0 HB THR A 16 -6.061 -10.325 9.561 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.577 -11.468 7.602 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.409 -10.804 8.960 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.248 -9.259 9.829 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.486 -9.267 8.065 1.00 1.00 H new ATOM 248 N ALA A 17 -3.911 -8.780 9.958 1.00 1.00 N ATOM 249 CA ALA A 17 -2.486 -8.747 10.232 1.00 1.00 C ATOM 250 C ALA A 17 -1.682 -9.651 9.287 1.00 1.00 C ATOM 251 O ALA A 17 -0.516 -9.352 9.035 1.00 1.00 O ATOM 252 CB ALA A 17 -2.246 -9.111 11.694 1.00 1.00 C ATOM 0 H ALA A 17 -4.480 -9.114 10.736 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.128 -7.734 10.049 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.177 -9.087 11.904 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.758 -8.394 12.336 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.632 -10.112 11.888 1.00 1.00 H new ATOM 258 N GLU A 18 -2.260 -10.737 8.759 1.00 1.00 N ATOM 259 CA GLU A 18 -1.596 -11.591 7.775 1.00 1.00 C ATOM 260 C GLU A 18 -1.495 -10.859 6.433 1.00 1.00 C ATOM 261 O GLU A 18 -0.407 -10.743 5.871 1.00 1.00 O ATOM 262 CB GLU A 18 -2.345 -12.925 7.619 1.00 1.00 C ATOM 263 CG GLU A 18 -1.560 -13.950 6.780 1.00 1.00 C ATOM 264 CD GLU A 18 -0.331 -14.468 7.530 1.00 1.00 C ATOM 265 OE1 GLU A 18 0.763 -13.862 7.452 1.00 1.00 O ATOM 266 OE2 GLU A 18 -0.463 -15.449 8.298 1.00 1.00 O ATOM 0 H GLU A 18 -3.201 -11.046 9.004 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.588 -11.815 8.126 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.543 -13.344 8.606 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.312 -12.742 7.151 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.210 -14.787 6.524 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.248 -13.491 5.842 1.00 1.00 H new ATOM 273 N GLU A 19 -2.613 -10.330 5.926 1.00 1.00 N ATOM 274 CA GLU A 19 -2.605 -9.571 4.681 1.00 1.00 C ATOM 275 C GLU A 19 -1.698 -8.347 4.840 1.00 1.00 C ATOM 276 O GLU A 19 -0.869 -8.085 3.982 1.00 1.00 O ATOM 277 CB GLU A 19 -4.028 -9.161 4.270 1.00 1.00 C ATOM 278 CG GLU A 19 -4.899 -10.301 3.714 1.00 1.00 C ATOM 279 CD GLU A 19 -4.570 -10.679 2.262 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.508 -11.303 2.023 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.395 -10.409 1.357 1.00 1.00 O ATOM 0 H GLU A 19 -3.532 -10.416 6.361 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.213 -10.202 3.883 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.530 -8.730 5.136 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.960 -8.376 3.517 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.776 -11.181 4.346 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.947 -10.008 3.775 1.00 1.00 H new ATOM 288 N LEU A 20 -1.772 -7.614 5.952 1.00 1.00 N ATOM 289 CA LEU A 20 -0.901 -6.471 6.194 1.00 1.00 C ATOM 290 C LEU A 20 0.559 -6.904 6.239 1.00 1.00 C ATOM 291 O LEU A 20 1.397 -6.186 5.706 1.00 1.00 O ATOM 292 CB LEU A 20 -1.300 -5.688 7.457 1.00 1.00 C ATOM 293 CG LEU A 20 -2.564 -4.822 7.280 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.909 -4.118 8.588 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.357 -3.699 6.247 1.00 1.00 C ATOM 0 H LEU A 20 -2.435 -7.798 6.705 1.00 1.00 H new ATOM 0 HA LEU A 20 -1.025 -5.785 5.356 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -1.465 -6.392 8.273 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.470 -5.046 7.753 1.00 1.00 H new ATOM 0 HG LEU A 20 -3.351 -5.502 6.954 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.803 -3.510 8.449 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -3.092 -4.861 9.364 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -2.078 -3.479 8.887 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -3.273 -3.115 6.156 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.544 -3.050 6.573 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -2.107 -4.136 5.280 1.00 1.00 H new ATOM 307 N LYS A 21 0.903 -8.065 6.802 1.00 1.00 N ATOM 308 CA LYS A 21 2.278 -8.558 6.762 1.00 1.00 C ATOM 309 C LYS A 21 2.714 -8.750 5.316 1.00 1.00 C ATOM 310 O LYS A 21 3.772 -8.271 4.902 1.00 1.00 O ATOM 311 CB LYS A 21 2.348 -9.899 7.490 1.00 1.00 C ATOM 312 CG LYS A 21 3.809 -10.304 7.744 1.00 1.00 C ATOM 313 CD LYS A 21 3.913 -11.480 8.723 1.00 1.00 C ATOM 314 CE LYS A 21 5.239 -11.402 9.490 1.00 1.00 C ATOM 315 NZ LYS A 21 5.329 -12.435 10.536 1.00 1.00 N ATOM 0 H LYS A 21 0.249 -8.678 7.289 1.00 1.00 H new ATOM 0 HA LYS A 21 2.937 -7.836 7.245 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.814 -9.832 8.438 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.850 -10.667 6.897 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.280 -10.575 6.799 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.359 -9.451 8.141 1.00 1.00 H new ATOM 0 HD2 LYS A 21 3.077 -11.459 9.422 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.851 -12.423 8.180 1.00 1.00 H new ATOM 0 HE2 LYS A 21 6.069 -11.518 8.793 1.00 1.00 H new ATOM 0 HE3 LYS A 21 5.339 -10.416 9.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 6.239 -12.349 11.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 4.552 -12.310 11.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 5.260 -13.377 10.101 1.00 1.00 H new ATOM 329 N LYS A 22 1.897 -9.470 4.549 1.00 1.00 N ATOM 330 CA LYS A 22 2.140 -9.730 3.144 1.00 1.00 C ATOM 331 C LYS A 22 2.268 -8.413 2.390 1.00 1.00 C ATOM 332 O LYS A 22 3.168 -8.317 1.569 1.00 1.00 O ATOM 333 CB LYS A 22 1.029 -10.645 2.610 1.00 1.00 C ATOM 334 CG LYS A 22 1.256 -12.117 2.973 1.00 1.00 C ATOM 335 CD LYS A 22 2.217 -12.779 1.985 1.00 1.00 C ATOM 336 CE LYS A 22 2.267 -14.282 2.247 1.00 1.00 C ATOM 337 NZ LYS A 22 2.994 -14.974 1.167 1.00 1.00 N ATOM 0 H LYS A 22 1.037 -9.892 4.898 1.00 1.00 H new ATOM 0 HA LYS A 22 3.084 -10.254 2.996 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.070 -10.319 3.012 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.971 -10.546 1.526 1.00 1.00 H new ATOM 0 HG2 LYS A 22 1.659 -12.189 3.983 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.304 -12.647 2.972 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.891 -12.589 0.962 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.213 -12.349 2.087 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.756 -14.474 3.202 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.254 -14.677 2.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.017 -15.995 1.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.512 -14.806 0.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.967 -14.609 1.114 1.00 1.00 H new ATOM 351 N PHE A 23 1.466 -7.390 2.687 1.00 1.00 N ATOM 352 CA PHE A 23 1.556 -6.059 2.098 1.00 1.00 C ATOM 353 C PHE A 23 2.898 -5.428 2.441 1.00 1.00 C ATOM 354 O PHE A 23 3.631 -5.017 1.550 1.00 1.00 O ATOM 355 CB PHE A 23 0.400 -5.187 2.607 1.00 1.00 C ATOM 356 CG PHE A 23 0.288 -3.812 1.973 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.099 -3.674 0.584 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.324 -2.661 2.782 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.061 -2.399 0.008 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.136 -1.395 2.205 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.029 -1.256 0.819 1.00 1.00 C ATOM 0 H PHE A 23 0.711 -7.471 3.368 1.00 1.00 H new ATOM 0 HA PHE A 23 1.481 -6.138 1.013 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.535 -5.721 2.441 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.509 -5.063 3.684 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.077 -4.552 -0.044 1.00 1.00 H new ATOM 0 HD2 PHE A 23 0.496 -2.751 3.844 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.208 -2.302 -1.057 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.118 -0.518 2.835 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.131 -0.275 0.379 1.00 1.00 H new ATOM 371 N LYS A 24 3.249 -5.379 3.726 1.00 1.00 N ATOM 372 CA LYS A 24 4.491 -4.819 4.244 1.00 1.00 C ATOM 373 C LYS A 24 5.719 -5.446 3.567 1.00 1.00 C ATOM 374 O LYS A 24 6.717 -4.762 3.364 1.00 1.00 O ATOM 375 CB LYS A 24 4.467 -4.943 5.774 1.00 1.00 C ATOM 376 CG LYS A 24 3.438 -3.990 6.426 1.00 1.00 C ATOM 377 CD LYS A 24 3.086 -4.413 7.858 1.00 1.00 C ATOM 378 CE LYS A 24 2.047 -3.455 8.454 1.00 1.00 C ATOM 379 NZ LYS A 24 1.412 -4.043 9.647 1.00 1.00 N ATOM 0 H LYS A 24 2.647 -5.745 4.464 1.00 1.00 H new ATOM 0 HA LYS A 24 4.574 -3.760 4.001 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.231 -5.971 6.049 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.460 -4.727 6.169 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.839 -2.976 6.436 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.531 -3.968 5.822 1.00 1.00 H new ATOM 0 HD2 LYS A 24 2.695 -5.431 7.859 1.00 1.00 H new ATOM 0 HD3 LYS A 24 3.984 -4.416 8.475 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.526 -2.512 8.719 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.286 -3.227 7.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 0.701 -3.383 10.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 0.951 -4.939 9.389 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.135 -4.222 10.373 1.00 1.00 H new ATOM 393 N LEU A 25 5.664 -6.725 3.194 1.00 1.00 N ATOM 394 CA LEU A 25 6.713 -7.406 2.441 1.00 1.00 C ATOM 395 C LEU A 25 6.588 -7.062 0.959 1.00 1.00 C ATOM 396 O LEU A 25 7.582 -6.733 0.313 1.00 1.00 O ATOM 397 CB LEU A 25 6.562 -8.931 2.621 1.00 1.00 C ATOM 398 CG LEU A 25 6.880 -9.437 4.040 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.208 -10.791 4.293 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.392 -9.571 4.228 1.00 1.00 C ATOM 0 H LEU A 25 4.871 -7.328 3.413 1.00 1.00 H new ATOM 0 HA LEU A 25 7.688 -7.084 2.808 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.541 -9.216 2.367 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.219 -9.435 1.912 1.00 1.00 H new ATOM 0 HG LEU A 25 6.492 -8.712 4.755 1.00 1.00 H new ATOM 0 HD11 LEU A 25 6.445 -11.132 5.301 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.128 -10.686 4.190 1.00 1.00 H new ATOM 0 HD13 LEU A 25 6.573 -11.519 3.569 1.00 1.00 H new ATOM 0 HD21 LEU A 25 8.603 -9.930 5.235 1.00 1.00 H new ATOM 0 HD22 LEU A 25 8.788 -10.280 3.500 1.00 1.00 H new ATOM 0 HD23 LEU A 25 8.864 -8.599 4.082 1.00 1.00 H new ATOM 412 N LYS A 26 5.382 -7.147 0.393 1.00 1.00 N ATOM 413 CA LYS A 26 5.126 -6.939 -1.028 1.00 1.00 C ATOM 414 C LYS A 26 5.420 -5.502 -1.453 1.00 1.00 C ATOM 415 O LYS A 26 5.721 -5.263 -2.625 1.00 1.00 O ATOM 416 CB LYS A 26 3.712 -7.419 -1.394 1.00 1.00 C ATOM 417 CG LYS A 26 3.673 -8.961 -1.447 1.00 1.00 C ATOM 418 CD LYS A 26 3.828 -9.437 -2.892 1.00 1.00 C ATOM 419 CE LYS A 26 4.123 -10.932 -2.995 1.00 1.00 C ATOM 420 NZ LYS A 26 3.821 -11.431 -4.349 1.00 1.00 N ATOM 0 H LYS A 26 4.540 -7.367 0.924 1.00 1.00 H new ATOM 0 HA LYS A 26 5.820 -7.551 -1.604 1.00 1.00 H new ATOM 0 HB2 LYS A 26 2.994 -7.054 -0.659 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.418 -7.007 -2.359 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.471 -9.375 -0.831 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.732 -9.324 -1.035 1.00 1.00 H new ATOM 0 HD2 LYS A 26 2.915 -9.213 -3.443 1.00 1.00 H new ATOM 0 HD3 LYS A 26 4.634 -8.879 -3.369 1.00 1.00 H new ATOM 0 HE2 LYS A 26 5.171 -11.118 -2.759 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.529 -11.476 -2.261 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 4.494 -12.183 -4.600 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.853 -11.811 -4.371 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 3.902 -10.651 -5.032 1.00 1.00 H new ATOM 434 N LEU A 27 5.402 -4.551 -0.520 1.00 1.00 N ATOM 435 CA LEU A 27 5.779 -3.158 -0.738 1.00 1.00 C ATOM 436 C LEU A 27 7.270 -3.056 -1.043 1.00 1.00 C ATOM 437 O LEU A 27 7.745 -1.985 -1.420 1.00 1.00 O ATOM 438 CB LEU A 27 5.474 -2.335 0.534 1.00 1.00 C ATOM 439 CG LEU A 27 4.014 -1.885 0.705 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.685 -1.455 2.132 1.00 1.00 C ATOM 441 CD2 LEU A 27 3.762 -0.665 -0.169 1.00 1.00 C ATOM 0 H LEU A 27 5.114 -4.737 0.441 1.00 1.00 H new ATOM 0 HA LEU A 27 5.209 -2.770 -1.582 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.756 -2.928 1.404 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.110 -1.450 0.532 1.00 1.00 H new ATOM 0 HG LEU A 27 3.398 -2.742 0.435 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.640 -1.149 2.188 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.855 -2.290 2.812 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.324 -0.619 2.417 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.728 -0.341 -0.052 1.00 1.00 H new ATOM 0 HD22 LEU A 27 4.431 0.142 0.131 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.946 -0.921 -1.212 1.00 1.00 H new ATOM 453 N LEU A 28 8.020 -4.148 -0.882 1.00 1.00 N ATOM 454 CA LEU A 28 9.438 -4.215 -1.156 1.00 1.00 C ATOM 455 C LEU A 28 9.649 -5.523 -1.970 1.00 1.00 C ATOM 456 O LEU A 28 10.714 -6.135 -1.964 1.00 1.00 O ATOM 457 CB LEU A 28 10.117 -4.103 0.228 1.00 1.00 C ATOM 458 CG LEU A 28 11.583 -3.613 0.199 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.056 -3.397 1.644 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.620 -4.389 -0.617 1.00 1.00 C ATOM 0 H LEU A 28 7.636 -5.031 -0.547 1.00 1.00 H new ATOM 0 HA LEU A 28 9.880 -3.428 -1.767 1.00 1.00 H new ATOM 0 HB2 LEU A 28 9.534 -3.422 0.848 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.086 -5.079 0.711 1.00 1.00 H new ATOM 0 HG LEU A 28 11.533 -2.689 -0.378 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.090 -3.051 1.641 1.00 1.00 H new ATOM 0 HD12 LEU A 28 11.425 -2.650 2.126 1.00 1.00 H new ATOM 0 HD13 LEU A 28 11.990 -4.336 2.193 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.592 -3.905 -0.524 1.00 1.00 H new ATOM 0 HD22 LEU A 28 12.686 -5.411 -0.244 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.321 -4.404 -1.665 1.00 1.00 H new ATOM 472 N SER A 29 8.607 -5.988 -2.681 1.00 1.00 N ATOM 473 CA SER A 29 8.633 -7.138 -3.585 1.00 1.00 C ATOM 474 C SER A 29 9.582 -6.854 -4.739 1.00 1.00 C ATOM 475 O SER A 29 10.396 -7.711 -5.099 1.00 1.00 O ATOM 476 CB SER A 29 7.224 -7.361 -4.152 1.00 1.00 C ATOM 477 OG SER A 29 7.087 -8.447 -5.042 1.00 1.00 O ATOM 0 H SER A 29 7.687 -5.550 -2.635 1.00 1.00 H new ATOM 0 HA SER A 29 8.966 -8.022 -3.040 1.00 1.00 H new ATOM 0 HB2 SER A 29 6.536 -7.509 -3.319 1.00 1.00 H new ATOM 0 HB3 SER A 29 6.911 -6.452 -4.666 1.00 1.00 H new ATOM 0 HG SER A 29 6.139 -8.577 -5.256 1.00 1.00 H new ATOM 483 N VAL A 30 9.485 -5.655 -5.308 1.00 1.00 N ATOM 484 CA VAL A 30 10.239 -5.263 -6.485 1.00 1.00 C ATOM 485 C VAL A 30 10.852 -3.889 -6.217 1.00 1.00 C ATOM 486 O VAL A 30 10.238 -3.085 -5.506 1.00 1.00 O ATOM 487 CB VAL A 30 9.282 -5.304 -7.704 1.00 1.00 C ATOM 488 CG1 VAL A 30 8.108 -4.313 -7.607 1.00 1.00 C ATOM 489 CG2 VAL A 30 10.001 -5.092 -9.041 1.00 1.00 C ATOM 0 H VAL A 30 8.870 -4.921 -4.956 1.00 1.00 H new ATOM 0 HA VAL A 30 11.064 -5.939 -6.709 1.00 1.00 H new ATOM 0 HB VAL A 30 8.877 -6.316 -7.675 1.00 1.00 H new ATOM 0 HG11 VAL A 30 7.483 -4.401 -8.496 1.00 1.00 H new ATOM 0 HG12 VAL A 30 7.513 -4.539 -6.722 1.00 1.00 H new ATOM 0 HG13 VAL A 30 8.495 -3.297 -7.534 1.00 1.00 H new ATOM 0 HG21 VAL A 30 9.276 -5.132 -9.854 1.00 1.00 H new ATOM 0 HG22 VAL A 30 10.492 -4.119 -9.040 1.00 1.00 H new ATOM 0 HG23 VAL A 30 10.747 -5.874 -9.181 1.00 1.00 H new ATOM 499 N PRO A 31 12.062 -3.595 -6.724 1.00 1.00 N ATOM 500 CA PRO A 31 12.617 -2.266 -6.589 1.00 1.00 C ATOM 501 C PRO A 31 11.702 -1.316 -7.376 1.00 1.00 C ATOM 502 O PRO A 31 11.310 -1.608 -8.514 1.00 1.00 O ATOM 503 CB PRO A 31 14.052 -2.341 -7.124 1.00 1.00 C ATOM 504 CG PRO A 31 14.074 -3.600 -7.990 1.00 1.00 C ATOM 505 CD PRO A 31 13.020 -4.496 -7.345 1.00 1.00 C ATOM 0 HA PRO A 31 12.664 -1.892 -5.566 1.00 1.00 H new ATOM 0 HB2 PRO A 31 14.305 -1.455 -7.706 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.775 -2.406 -6.311 1.00 1.00 H new ATOM 0 HG2 PRO A 31 13.830 -3.377 -9.029 1.00 1.00 H new ATOM 0 HG3 PRO A 31 15.057 -4.071 -7.988 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.536 -5.129 -8.089 1.00 1.00 H new ATOM 0 HD3 PRO A 31 13.469 -5.159 -6.606 1.00 1.00 H new ATOM 513 N LEU A 32 11.354 -0.179 -6.777 1.00 1.00 N ATOM 514 CA LEU A 32 10.406 0.764 -7.363 1.00 1.00 C ATOM 515 C LEU A 32 11.181 1.655 -8.348 1.00 1.00 C ATOM 516 O LEU A 32 12.395 1.497 -8.534 1.00 1.00 O ATOM 517 CB LEU A 32 9.709 1.525 -6.219 1.00 1.00 C ATOM 518 CG LEU A 32 8.349 2.163 -6.582 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.205 1.138 -6.540 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.038 3.254 -5.568 1.00 1.00 C ATOM 0 H LEU A 32 11.722 0.114 -5.872 1.00 1.00 H new ATOM 0 HA LEU A 32 9.613 0.280 -7.933 1.00 1.00 H new ATOM 0 HB2 LEU A 32 9.558 0.838 -5.386 1.00 1.00 H new ATOM 0 HB3 LEU A 32 10.378 2.311 -5.867 1.00 1.00 H new ATOM 0 HG LEU A 32 8.424 2.559 -7.595 1.00 1.00 H new ATOM 0 HD11 LEU A 32 6.267 1.628 -6.801 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.407 0.338 -7.252 1.00 1.00 H new ATOM 0 HD13 LEU A 32 7.128 0.720 -5.536 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.080 3.714 -5.811 1.00 1.00 H new ATOM 0 HD22 LEU A 32 7.989 2.819 -4.570 1.00 1.00 H new ATOM 0 HD23 LEU A 32 8.822 4.011 -5.596 1.00 1.00 H new ATOM 532 N ARG A 33 10.502 2.587 -9.011 1.00 1.00 N ATOM 533 CA ARG A 33 11.102 3.411 -10.060 1.00 1.00 C ATOM 534 C ARG A 33 12.048 4.472 -9.514 1.00 1.00 C ATOM 535 O ARG A 33 12.192 4.649 -8.302 1.00 1.00 O ATOM 536 CB ARG A 33 10.009 4.021 -10.954 1.00 1.00 C ATOM 537 CG ARG A 33 9.039 2.932 -11.426 1.00 1.00 C ATOM 538 CD ARG A 33 8.271 3.295 -12.696 1.00 1.00 C ATOM 539 NE ARG A 33 7.230 2.288 -12.904 1.00 1.00 N ATOM 540 CZ ARG A 33 6.664 1.868 -14.033 1.00 1.00 C ATOM 541 NH1 ARG A 33 6.994 2.370 -15.215 1.00 1.00 N ATOM 542 NH2 ARG A 33 5.765 0.901 -13.943 1.00 1.00 N ATOM 0 H ARG A 33 9.518 2.794 -8.837 1.00 1.00 H new ATOM 0 HA ARG A 33 11.721 2.755 -10.672 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.465 4.788 -10.403 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.465 4.510 -11.815 1.00 1.00 H new ATOM 0 HG2 ARG A 33 9.598 2.013 -11.601 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.326 2.724 -10.629 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.828 4.286 -12.602 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.945 3.327 -13.552 1.00 1.00 H new ATOM 0 HE ARG A 33 6.886 1.840 -12.055 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.702 3.102 -15.279 1.00 1.00 H new ATOM 0 HH12 ARG A 33 6.540 2.025 -16.061 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.530 0.507 -13.032 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.307 0.550 -14.784 1.00 1.00 H new ATOM 556 N GLU A 34 12.724 5.154 -10.430 1.00 1.00 N ATOM 557 CA GLU A 34 13.671 6.210 -10.128 1.00 1.00 C ATOM 558 C GLU A 34 12.882 7.507 -9.934 1.00 1.00 C ATOM 559 O GLU A 34 11.772 7.649 -10.453 1.00 1.00 O ATOM 560 CB GLU A 34 14.639 6.307 -11.312 1.00 1.00 C ATOM 561 CG GLU A 34 15.879 7.159 -11.056 1.00 1.00 C ATOM 562 CD GLU A 34 16.971 6.376 -10.337 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.874 6.178 -9.101 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.939 5.965 -11.019 1.00 1.00 O ATOM 0 H GLU A 34 12.623 4.980 -11.430 1.00 1.00 H new ATOM 0 HA GLU A 34 14.242 6.016 -9.220 1.00 1.00 H new ATOM 0 HB2 GLU A 34 14.957 5.301 -11.587 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.104 6.717 -12.168 1.00 1.00 H new ATOM 0 HG2 GLU A 34 16.265 7.532 -12.005 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.604 8.029 -10.460 1.00 1.00 H new ATOM 571 N GLY A 35 13.449 8.464 -9.204 1.00 1.00 N ATOM 572 CA GLY A 35 12.784 9.710 -8.832 1.00 1.00 C ATOM 573 C GLY A 35 11.668 9.452 -7.809 1.00 1.00 C ATOM 574 O GLY A 35 10.859 10.329 -7.520 1.00 1.00 O ATOM 0 H GLY A 35 14.402 8.394 -8.847 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.512 10.405 -8.414 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.366 10.183 -9.721 1.00 1.00 H new ATOM 578 N TYR A 36 11.613 8.229 -7.291 1.00 1.00 N ATOM 579 CA TYR A 36 10.693 7.659 -6.330 1.00 1.00 C ATOM 580 C TYR A 36 11.566 6.897 -5.330 1.00 1.00 C ATOM 581 O TYR A 36 12.794 6.833 -5.473 1.00 1.00 O ATOM 582 CB TYR A 36 9.670 6.769 -7.065 1.00 1.00 C ATOM 583 CG TYR A 36 8.507 7.508 -7.716 1.00 1.00 C ATOM 584 CD1 TYR A 36 8.666 8.251 -8.904 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.238 7.440 -7.116 1.00 1.00 C ATOM 586 CE1 TYR A 36 7.570 8.928 -9.477 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.152 8.145 -7.657 1.00 1.00 C ATOM 588 CZ TYR A 36 6.303 8.871 -8.854 1.00 1.00 C ATOM 589 OH TYR A 36 5.220 9.492 -9.396 1.00 1.00 O ATOM 0 H TYR A 36 12.302 7.533 -7.576 1.00 1.00 H new ATOM 0 HA TYR A 36 10.100 8.403 -5.798 1.00 1.00 H new ATOM 0 HB2 TYR A 36 10.194 6.202 -7.834 1.00 1.00 H new ATOM 0 HB3 TYR A 36 9.267 6.046 -6.355 1.00 1.00 H new ATOM 0 HD1 TYR A 36 9.635 8.302 -9.379 1.00 1.00 H new ATOM 0 HD2 TYR A 36 7.097 6.839 -6.230 1.00 1.00 H new ATOM 0 HE1 TYR A 36 7.699 9.489 -10.391 1.00 1.00 H new ATOM 0 HE2 TYR A 36 5.197 8.131 -7.153 1.00 1.00 H new ATOM 0 HH TYR A 36 4.419 8.950 -9.238 1.00 1.00 H new ATOM 599 N GLY A 37 10.953 6.363 -4.283 1.00 1.00 N ATOM 600 CA GLY A 37 11.665 5.683 -3.199 1.00 1.00 C ATOM 601 C GLY A 37 10.902 4.466 -2.706 1.00 1.00 C ATOM 602 O GLY A 37 9.889 4.105 -3.295 1.00 1.00 O ATOM 0 H GLY A 37 9.941 6.387 -4.157 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.652 5.378 -3.546 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.818 6.377 -2.372 1.00 1.00 H new ATOM 606 N ARG A 38 11.351 3.838 -1.618 1.00 1.00 N ATOM 607 CA ARG A 38 10.663 2.724 -0.960 1.00 1.00 C ATOM 608 C ARG A 38 10.738 2.882 0.541 1.00 1.00 C ATOM 609 O ARG A 38 11.751 3.343 1.066 1.00 1.00 O ATOM 610 CB ARG A 38 11.241 1.362 -1.368 1.00 1.00 C ATOM 611 CG ARG A 38 10.687 0.878 -2.711 1.00 1.00 C ATOM 612 CD ARG A 38 11.514 -0.290 -3.241 1.00 1.00 C ATOM 613 NE ARG A 38 12.731 0.218 -3.895 1.00 1.00 N ATOM 614 CZ ARG A 38 13.934 -0.360 -3.942 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.211 -1.424 -3.204 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.849 0.111 -4.771 1.00 1.00 N ATOM 0 H ARG A 38 12.224 4.096 -1.158 1.00 1.00 H new ATOM 0 HA ARG A 38 9.622 2.750 -1.283 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.327 1.434 -1.429 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.013 0.627 -0.596 1.00 1.00 H new ATOM 0 HG2 ARG A 38 9.648 0.571 -2.593 1.00 1.00 H new ATOM 0 HG3 ARG A 38 10.698 1.696 -3.432 1.00 1.00 H new ATOM 0 HD2 ARG A 38 11.782 -0.959 -2.423 1.00 1.00 H new ATOM 0 HD3 ARG A 38 10.925 -0.873 -3.950 1.00 1.00 H new ATOM 0 HE ARG A 38 12.645 1.118 -4.368 1.00 1.00 H new ATOM 0 HH11 ARG A 38 13.500 -1.816 -2.586 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.136 -1.852 -3.253 1.00 1.00 H new ATOM 0 HH21 ARG A 38 14.634 0.910 -5.368 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.771 -0.324 -4.814 1.00 1.00 H new ATOM 630 N ILE A 39 9.660 2.513 1.219 1.00 1.00 N ATOM 631 CA ILE A 39 9.589 2.480 2.666 1.00 1.00 C ATOM 632 C ILE A 39 10.182 1.096 2.990 1.00 1.00 C ATOM 633 O ILE A 39 9.689 0.096 2.455 1.00 1.00 O ATOM 634 CB ILE A 39 8.134 2.652 3.159 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.466 3.928 2.585 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.143 2.714 4.697 1.00 1.00 C ATOM 637 CD1 ILE A 39 5.957 4.017 2.850 1.00 1.00 C ATOM 0 H ILE A 39 8.794 2.223 0.765 1.00 1.00 H new ATOM 0 HA ILE A 39 10.125 3.289 3.162 1.00 1.00 H new ATOM 0 HB ILE A 39 7.550 1.801 2.808 1.00 1.00 H new ATOM 0 HG12 ILE A 39 7.952 4.804 3.014 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.638 3.963 1.509 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.123 2.835 5.062 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.564 1.791 5.096 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.748 3.560 5.024 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.565 4.937 2.417 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.457 3.161 2.397 1.00 1.00 H new ATOM 0 HD13 ILE A 39 5.776 4.016 3.925 1.00 1.00 H new ATOM 649 N PRO A 40 11.270 1.004 3.773 1.00 1.00 N ATOM 650 CA PRO A 40 11.933 -0.267 4.026 1.00 1.00 C ATOM 651 C PRO A 40 11.056 -1.158 4.914 1.00 1.00 C ATOM 652 O PRO A 40 10.194 -0.682 5.662 1.00 1.00 O ATOM 653 CB PRO A 40 13.272 0.094 4.668 1.00 1.00 C ATOM 654 CG PRO A 40 12.924 1.372 5.417 1.00 1.00 C ATOM 655 CD PRO A 40 11.925 2.074 4.503 1.00 1.00 C ATOM 0 HA PRO A 40 12.099 -0.848 3.119 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.628 -0.688 5.338 1.00 1.00 H new ATOM 0 HB3 PRO A 40 14.052 0.256 3.924 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.489 1.157 6.393 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.807 1.987 5.590 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.206 2.658 5.078 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.427 2.765 3.826 1.00 1.00 H new ATOM 663 N ARG A 41 11.324 -2.463 4.886 1.00 1.00 N ATOM 664 CA ARG A 41 10.511 -3.454 5.579 1.00 1.00 C ATOM 665 C ARG A 41 10.465 -3.224 7.084 1.00 1.00 C ATOM 666 O ARG A 41 9.409 -3.415 7.668 1.00 1.00 O ATOM 667 CB ARG A 41 11.035 -4.859 5.251 1.00 1.00 C ATOM 668 CG ARG A 41 10.062 -5.978 5.652 1.00 1.00 C ATOM 669 CD ARG A 41 10.790 -7.310 5.860 1.00 1.00 C ATOM 670 NE ARG A 41 11.512 -7.351 7.147 1.00 1.00 N ATOM 671 CZ ARG A 41 11.533 -8.389 7.994 1.00 1.00 C ATOM 672 NH1 ARG A 41 11.191 -9.601 7.568 1.00 1.00 N ATOM 673 NH2 ARG A 41 11.885 -8.197 9.259 1.00 1.00 N ATOM 0 H ARG A 41 12.115 -2.861 4.379 1.00 1.00 H new ATOM 0 HA ARG A 41 9.485 -3.355 5.226 1.00 1.00 H new ATOM 0 HB2 ARG A 41 11.233 -4.925 4.181 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.986 -5.013 5.761 1.00 1.00 H new ATOM 0 HG2 ARG A 41 9.544 -5.699 6.569 1.00 1.00 H new ATOM 0 HG3 ARG A 41 9.302 -6.095 4.879 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.069 -8.127 5.823 1.00 1.00 H new ATOM 0 HD3 ARG A 41 11.495 -7.469 5.044 1.00 1.00 H new ATOM 0 HE ARG A 41 12.039 -6.519 7.414 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.913 -9.740 6.597 1.00 1.00 H new ATOM 0 HH12 ARG A 41 11.207 -10.391 8.213 1.00 1.00 H new ATOM 0 HH21 ARG A 41 12.138 -7.263 9.582 1.00 1.00 H new ATOM 0 HH22 ARG A 41 11.903 -8.983 9.908 1.00 1.00 H new ATOM 687 N GLY A 42 11.564 -2.832 7.727 1.00 1.00 N ATOM 688 CA GLY A 42 11.576 -2.646 9.174 1.00 1.00 C ATOM 689 C GLY A 42 10.629 -1.525 9.587 1.00 1.00 C ATOM 690 O GLY A 42 9.878 -1.683 10.549 1.00 1.00 O ATOM 0 H GLY A 42 12.454 -2.638 7.269 1.00 1.00 H new ATOM 0 HA2 GLY A 42 11.284 -3.574 9.666 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.588 -2.414 9.506 1.00 1.00 H new ATOM 694 N ALA A 43 10.628 -0.421 8.829 1.00 1.00 N ATOM 695 CA ALA A 43 9.705 0.681 9.047 1.00 1.00 C ATOM 696 C ALA A 43 8.278 0.151 8.898 1.00 1.00 C ATOM 697 O ALA A 43 7.476 0.262 9.825 1.00 1.00 O ATOM 698 CB ALA A 43 10.001 1.835 8.083 1.00 1.00 C ATOM 0 H ALA A 43 11.270 -0.274 8.050 1.00 1.00 H new ATOM 0 HA ALA A 43 9.825 1.084 10.052 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.299 2.649 8.263 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.019 2.191 8.244 1.00 1.00 H new ATOM 0 HB3 ALA A 43 9.896 1.487 7.055 1.00 1.00 H new ATOM 704 N LEU A 44 7.988 -0.499 7.769 1.00 1.00 N ATOM 705 CA LEU A 44 6.675 -1.066 7.488 1.00 1.00 C ATOM 706 C LEU A 44 6.210 -2.042 8.572 1.00 1.00 C ATOM 707 O LEU A 44 5.029 -2.051 8.906 1.00 1.00 O ATOM 708 CB LEU A 44 6.694 -1.747 6.111 1.00 1.00 C ATOM 709 CG LEU A 44 6.794 -0.781 4.919 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.843 -1.594 3.628 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.600 0.179 4.855 1.00 1.00 C ATOM 0 H LEU A 44 8.666 -0.646 7.021 1.00 1.00 H new ATOM 0 HA LEU A 44 5.954 -0.248 7.483 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.537 -2.437 6.074 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.788 -2.344 6.003 1.00 1.00 H new ATOM 0 HG LEU A 44 7.698 -0.185 5.044 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.914 -0.919 2.775 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.713 -2.251 3.644 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.937 -2.194 3.541 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.712 0.843 3.998 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.678 -0.393 4.752 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.560 0.771 5.769 1.00 1.00 H new ATOM 723 N LEU A 45 7.116 -2.848 9.129 1.00 1.00 N ATOM 724 CA LEU A 45 6.816 -3.795 10.198 1.00 1.00 C ATOM 725 C LEU A 45 6.511 -3.060 11.502 1.00 1.00 C ATOM 726 O LEU A 45 5.676 -3.541 12.266 1.00 1.00 O ATOM 727 CB LEU A 45 7.972 -4.794 10.408 1.00 1.00 C ATOM 728 CG LEU A 45 8.145 -5.946 9.383 1.00 1.00 C ATOM 729 CD1 LEU A 45 8.056 -7.306 10.088 1.00 1.00 C ATOM 730 CD2 LEU A 45 7.162 -5.978 8.202 1.00 1.00 C ATOM 0 H LEU A 45 8.095 -2.859 8.843 1.00 1.00 H new ATOM 0 HA LEU A 45 5.933 -4.359 9.897 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.902 -4.226 10.430 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.849 -5.242 11.394 1.00 1.00 H new ATOM 0 HG LEU A 45 9.128 -5.746 8.956 1.00 1.00 H new ATOM 0 HD11 LEU A 45 8.179 -8.104 9.356 1.00 1.00 H new ATOM 0 HD12 LEU A 45 8.842 -7.378 10.839 1.00 1.00 H new ATOM 0 HD13 LEU A 45 7.083 -7.403 10.570 1.00 1.00 H new ATOM 0 HD21 LEU A 45 7.390 -6.830 7.561 1.00 1.00 H new ATOM 0 HD22 LEU A 45 6.143 -6.070 8.579 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.254 -5.057 7.627 1.00 1.00 H new ATOM 742 N SER A 46 7.147 -1.920 11.788 1.00 1.00 N ATOM 743 CA SER A 46 6.821 -1.136 12.968 1.00 1.00 C ATOM 744 C SER A 46 5.511 -0.342 12.836 1.00 1.00 C ATOM 745 O SER A 46 4.855 -0.093 13.851 1.00 1.00 O ATOM 746 CB SER A 46 8.007 -0.229 13.304 1.00 1.00 C ATOM 747 OG SER A 46 8.579 0.458 12.203 1.00 1.00 O ATOM 0 H SER A 46 7.891 -1.525 11.213 1.00 1.00 H new ATOM 0 HA SER A 46 6.642 -1.828 13.791 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.683 0.506 14.041 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.782 -0.833 13.776 1.00 1.00 H new ATOM 0 HG SER A 46 7.906 0.566 11.499 1.00 1.00 H new ATOM 753 N MET A 47 5.138 0.039 11.613 1.00 1.00 N ATOM 754 CA MET A 47 3.987 0.889 11.320 1.00 1.00 C ATOM 755 C MET A 47 2.659 0.127 11.355 1.00 1.00 C ATOM 756 O MET A 47 2.619 -1.101 11.283 1.00 1.00 O ATOM 757 CB MET A 47 4.173 1.461 9.904 1.00 1.00 C ATOM 758 CG MET A 47 5.300 2.493 9.788 1.00 1.00 C ATOM 759 SD MET A 47 5.953 2.684 8.103 1.00 1.00 S ATOM 760 CE MET A 47 4.431 3.117 7.226 1.00 1.00 C ATOM 0 H MET A 47 5.645 -0.245 10.775 1.00 1.00 H new ATOM 0 HA MET A 47 3.941 1.665 12.084 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.375 0.640 9.216 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.238 1.922 9.585 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.933 3.458 10.136 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.114 2.203 10.452 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.669 3.392 6.198 1.00 1.00 H new ATOM 0 HE2 MET A 47 3.755 2.262 7.226 1.00 1.00 H new ATOM 0 HE3 MET A 47 3.951 3.959 7.725 1.00 1.00 H new ATOM 770 N ASP A 48 1.564 0.885 11.393 1.00 1.00 N ATOM 771 CA ASP A 48 0.173 0.440 11.317 1.00 1.00 C ATOM 772 C ASP A 48 -0.466 1.070 10.086 1.00 1.00 C ATOM 773 O ASP A 48 0.215 1.595 9.202 1.00 1.00 O ATOM 774 CB ASP A 48 -0.627 0.746 12.595 1.00 1.00 C ATOM 775 CG ASP A 48 -0.786 2.224 12.951 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.486 2.964 12.225 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.292 2.630 14.028 1.00 1.00 O ATOM 0 H ASP A 48 1.630 1.899 11.484 1.00 1.00 H new ATOM 0 HA ASP A 48 0.159 -0.646 11.229 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.620 0.309 12.491 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.143 0.242 13.432 1.00 1.00 H new ATOM 782 N ALA A 49 -1.776 0.915 9.972 1.00 1.00 N ATOM 783 CA ALA A 49 -2.577 1.388 8.849 1.00 1.00 C ATOM 784 C ALA A 49 -2.559 2.918 8.738 1.00 1.00 C ATOM 785 O ALA A 49 -2.388 3.459 7.646 1.00 1.00 O ATOM 786 CB ALA A 49 -4.025 0.909 9.069 1.00 1.00 C ATOM 0 H ALA A 49 -2.332 0.440 10.683 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.160 0.990 7.924 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.650 1.248 8.243 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.045 -0.180 9.116 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.406 1.319 10.004 1.00 1.00 H new ATOM 792 N LEU A 50 -2.761 3.637 9.839 1.00 1.00 N ATOM 793 CA LEU A 50 -2.795 5.095 9.831 1.00 1.00 C ATOM 794 C LEU A 50 -1.391 5.609 9.536 1.00 1.00 C ATOM 795 O LEU A 50 -1.237 6.466 8.666 1.00 1.00 O ATOM 796 CB LEU A 50 -3.362 5.599 11.157 1.00 1.00 C ATOM 797 CG LEU A 50 -3.895 7.040 11.142 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.711 7.260 12.420 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.798 8.105 11.082 1.00 1.00 C ATOM 0 H LEU A 50 -2.906 3.225 10.761 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.453 5.477 9.051 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.170 4.934 11.463 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.584 5.526 11.917 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.492 7.150 10.237 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.101 8.278 12.432 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.541 6.554 12.448 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.073 7.105 13.290 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.253 9.096 11.075 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.150 8.010 11.953 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.209 7.970 10.175 1.00 1.00 H new ATOM 811 N ASP A 51 -0.374 5.036 10.197 1.00 1.00 N ATOM 812 CA ASP A 51 1.021 5.373 9.907 1.00 1.00 C ATOM 813 C ASP A 51 1.325 5.151 8.442 1.00 1.00 C ATOM 814 O ASP A 51 1.906 6.034 7.821 1.00 1.00 O ATOM 815 CB ASP A 51 2.060 4.587 10.722 1.00 1.00 C ATOM 816 CG ASP A 51 2.338 5.108 12.123 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.214 6.336 12.349 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.889 4.339 12.939 1.00 1.00 O ATOM 0 H ASP A 51 -0.494 4.340 10.933 1.00 1.00 H new ATOM 0 HA ASP A 51 1.110 6.422 10.190 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.725 3.553 10.800 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.998 4.578 10.166 1.00 1.00 H new ATOM 823 N LEU A 52 0.946 4.000 7.877 1.00 1.00 N ATOM 824 CA LEU A 52 1.125 3.776 6.452 1.00 1.00 C ATOM 825 C LEU A 52 0.410 4.862 5.680 1.00 1.00 C ATOM 826 O LEU A 52 1.055 5.441 4.828 1.00 1.00 O ATOM 827 CB LEU A 52 0.673 2.382 5.993 1.00 1.00 C ATOM 828 CG LEU A 52 0.764 2.213 4.448 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.815 1.194 4.025 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.588 1.830 3.850 1.00 1.00 C ATOM 0 H LEU A 52 0.520 3.223 8.382 1.00 1.00 H new ATOM 0 HA LEU A 52 2.195 3.819 6.247 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.290 1.624 6.477 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.354 2.210 6.316 1.00 1.00 H new ATOM 0 HG LEU A 52 1.069 3.185 4.061 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.832 1.119 2.938 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.794 1.512 4.383 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.571 0.221 4.452 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.490 1.720 2.770 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.923 0.887 4.282 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.317 2.609 4.070 1.00 1.00 H new ATOM 842 N THR A 53 -0.857 5.154 5.938 1.00 1.00 N ATOM 843 CA THR A 53 -1.592 6.115 5.133 1.00 1.00 C ATOM 844 C THR A 53 -0.860 7.458 5.077 1.00 1.00 C ATOM 845 O THR A 53 -0.528 7.913 3.981 1.00 1.00 O ATOM 846 CB THR A 53 -3.037 6.219 5.643 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.628 4.935 5.678 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.895 7.091 4.726 1.00 1.00 C ATOM 0 H THR A 53 -1.396 4.739 6.698 1.00 1.00 H new ATOM 0 HA THR A 53 -1.645 5.770 4.100 1.00 1.00 H new ATOM 0 HB THR A 53 -2.995 6.663 6.637 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.264 4.428 6.434 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.911 7.142 5.118 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.473 8.095 4.680 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.913 6.659 3.726 1.00 1.00 H new ATOM 856 N ASP A 54 -0.551 8.072 6.220 1.00 1.00 N ATOM 857 CA ASP A 54 0.211 9.320 6.230 1.00 1.00 C ATOM 858 C ASP A 54 1.605 9.177 5.634 1.00 1.00 C ATOM 859 O ASP A 54 2.032 10.062 4.884 1.00 1.00 O ATOM 860 CB ASP A 54 0.242 9.983 7.613 1.00 1.00 C ATOM 861 CG ASP A 54 -1.031 10.785 7.865 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.131 10.231 8.076 1.00 1.00 O ATOM 863 OD2 ASP A 54 -0.986 12.030 7.730 1.00 1.00 O ATOM 0 H ASP A 54 -0.814 7.728 7.144 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.333 9.996 5.570 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.353 9.220 8.383 1.00 1.00 H new ATOM 0 HB3 ASP A 54 1.109 10.639 7.686 1.00 1.00 H new ATOM 868 N LYS A 55 2.320 8.085 5.928 1.00 1.00 N ATOM 869 CA LYS A 55 3.654 7.866 5.386 1.00 1.00 C ATOM 870 C LYS A 55 3.581 7.744 3.880 1.00 1.00 C ATOM 871 O LYS A 55 4.123 8.593 3.199 1.00 1.00 O ATOM 872 CB LYS A 55 4.354 6.653 6.021 1.00 1.00 C ATOM 873 CG LYS A 55 5.869 6.770 5.803 1.00 1.00 C ATOM 874 CD LYS A 55 6.632 5.703 6.597 1.00 1.00 C ATOM 875 CE LYS A 55 8.117 6.028 6.788 1.00 1.00 C ATOM 876 NZ LYS A 55 8.316 7.263 7.572 1.00 1.00 N ATOM 0 H LYS A 55 1.990 7.340 6.541 1.00 1.00 H new ATOM 0 HA LYS A 55 4.266 8.731 5.639 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.131 6.607 7.087 1.00 1.00 H new ATOM 0 HB3 LYS A 55 3.981 5.730 5.577 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.095 6.667 4.742 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.206 7.761 6.105 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.165 5.586 7.575 1.00 1.00 H new ATOM 0 HD3 LYS A 55 6.541 4.746 6.084 1.00 1.00 H new ATOM 0 HE2 LYS A 55 8.609 5.196 7.292 1.00 1.00 H new ATOM 0 HE3 LYS A 55 8.593 6.137 5.813 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 9.284 7.281 7.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 8.169 8.091 6.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 7.636 7.289 8.358 1.00 1.00 H new ATOM 890 N LEU A 56 2.933 6.708 3.363 1.00 1.00 N ATOM 891 CA LEU A 56 2.794 6.333 1.964 1.00 1.00 C ATOM 892 C LEU A 56 2.354 7.561 1.165 1.00 1.00 C ATOM 893 O LEU A 56 2.988 7.889 0.165 1.00 1.00 O ATOM 894 CB LEU A 56 1.828 5.124 1.956 1.00 1.00 C ATOM 895 CG LEU A 56 1.342 4.432 0.679 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.538 5.396 -0.173 1.00 1.00 C ATOM 897 CD2 LEU A 56 2.406 3.729 -0.164 1.00 1.00 C ATOM 0 H LEU A 56 2.447 6.048 3.970 1.00 1.00 H new ATOM 0 HA LEU A 56 3.715 6.018 1.474 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.301 4.351 2.562 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.933 5.444 2.490 1.00 1.00 H new ATOM 0 HG LEU A 56 0.715 3.618 1.041 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.200 4.888 -1.077 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.326 5.746 0.391 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.162 6.247 -0.447 1.00 1.00 H new ATOM 0 HD21 LEU A 56 1.938 3.279 -1.039 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.154 4.454 -0.485 1.00 1.00 H new ATOM 0 HD23 LEU A 56 2.886 2.952 0.431 1.00 1.00 H new ATOM 909 N VAL A 57 1.331 8.288 1.615 1.00 1.00 N ATOM 910 CA VAL A 57 0.866 9.477 0.911 1.00 1.00 C ATOM 911 C VAL A 57 1.954 10.561 0.879 1.00 1.00 C ATOM 912 O VAL A 57 2.275 11.053 -0.207 1.00 1.00 O ATOM 913 CB VAL A 57 -0.470 9.931 1.528 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.895 11.298 0.999 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.571 8.904 1.197 1.00 1.00 C ATOM 0 H VAL A 57 0.810 8.072 2.465 1.00 1.00 H new ATOM 0 HA VAL A 57 0.672 9.252 -0.138 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.330 10.004 2.606 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.842 11.587 1.456 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.133 12.037 1.246 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.015 11.248 -0.083 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.515 9.228 1.635 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.681 8.825 0.116 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.296 7.932 1.606 1.00 1.00 H new ATOM 925 N SER A 58 2.541 10.955 2.015 1.00 1.00 N ATOM 926 CA SER A 58 3.573 11.995 2.033 1.00 1.00 C ATOM 927 C SER A 58 4.802 11.559 1.226 1.00 1.00 C ATOM 928 O SER A 58 5.363 12.331 0.448 1.00 1.00 O ATOM 929 CB SER A 58 3.939 12.303 3.492 1.00 1.00 C ATOM 930 OG SER A 58 4.846 13.387 3.575 1.00 1.00 O ATOM 0 H SER A 58 2.318 10.569 2.933 1.00 1.00 H new ATOM 0 HA SER A 58 3.190 12.901 1.563 1.00 1.00 H new ATOM 0 HB2 SER A 58 3.035 12.538 4.054 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.381 11.420 3.953 1.00 1.00 H new ATOM 0 HG SER A 58 5.061 13.563 4.515 1.00 1.00 H new ATOM 936 N PHE A 59 5.211 10.310 1.405 1.00 1.00 N ATOM 937 CA PHE A 59 6.391 9.692 0.837 1.00 1.00 C ATOM 938 C PHE A 59 6.285 9.580 -0.685 1.00 1.00 C ATOM 939 O PHE A 59 7.324 9.493 -1.343 1.00 1.00 O ATOM 940 CB PHE A 59 6.582 8.331 1.524 1.00 1.00 C ATOM 941 CG PHE A 59 7.934 7.684 1.364 1.00 1.00 C ATOM 942 CD1 PHE A 59 8.191 6.879 0.245 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.934 7.868 2.340 1.00 1.00 C ATOM 944 CE1 PHE A 59 9.441 6.263 0.094 1.00 1.00 C ATOM 945 CE2 PHE A 59 10.188 7.253 2.184 1.00 1.00 C ATOM 946 CZ PHE A 59 10.446 6.451 1.059 1.00 1.00 C ATOM 0 H PHE A 59 4.687 9.661 1.992 1.00 1.00 H new ATOM 0 HA PHE A 59 7.271 10.309 1.017 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.387 8.455 2.589 1.00 1.00 H new ATOM 0 HB3 PHE A 59 5.827 7.645 1.139 1.00 1.00 H new ATOM 0 HD1 PHE A 59 7.425 6.733 -0.502 1.00 1.00 H new ATOM 0 HD2 PHE A 59 8.737 8.481 3.207 1.00 1.00 H new ATOM 0 HE1 PHE A 59 9.633 5.641 -0.768 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.955 7.397 2.930 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.411 5.982 0.937 1.00 1.00 H new ATOM 956 N TYR A 60 5.074 9.621 -1.248 1.00 1.00 N ATOM 957 CA TYR A 60 4.873 9.625 -2.685 1.00 1.00 C ATOM 958 C TYR A 60 4.007 10.820 -3.080 1.00 1.00 C ATOM 959 O TYR A 60 4.517 11.938 -3.147 1.00 1.00 O ATOM 960 CB TYR A 60 4.257 8.273 -3.087 1.00 1.00 C ATOM 961 CG TYR A 60 5.158 7.086 -2.826 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.343 6.926 -3.561 1.00 1.00 C ATOM 963 CD2 TYR A 60 4.822 6.152 -1.832 1.00 1.00 C ATOM 964 CE1 TYR A 60 7.163 5.807 -3.340 1.00 1.00 C ATOM 965 CE2 TYR A 60 5.663 5.062 -1.564 1.00 1.00 C ATOM 966 CZ TYR A 60 6.817 4.868 -2.341 1.00 1.00 C ATOM 967 OH TYR A 60 7.589 3.783 -2.093 1.00 1.00 O ATOM 0 H TYR A 60 4.207 9.652 -0.711 1.00 1.00 H new ATOM 0 HA TYR A 60 5.816 9.738 -3.220 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.323 8.134 -2.542 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.007 8.300 -4.147 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.625 7.664 -4.297 1.00 1.00 H new ATOM 0 HD2 TYR A 60 3.908 6.274 -1.269 1.00 1.00 H new ATOM 0 HE1 TYR A 60 8.055 5.664 -3.932 1.00 1.00 H new ATOM 0 HE2 TYR A 60 5.425 4.376 -0.765 1.00 1.00 H new ATOM 0 HH TYR A 60 8.406 3.832 -2.632 1.00 1.00 H new ATOM 977 N LEU A 61 2.703 10.607 -3.240 1.00 1.00 N ATOM 978 CA LEU A 61 1.618 11.522 -3.582 1.00 1.00 C ATOM 979 C LEU A 61 0.360 10.827 -3.061 1.00 1.00 C ATOM 980 O LEU A 61 0.390 9.634 -2.751 1.00 1.00 O ATOM 981 CB LEU A 61 1.457 11.753 -5.101 1.00 1.00 C ATOM 982 CG LEU A 61 2.372 12.742 -5.849 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.667 14.008 -5.043 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.646 12.091 -6.395 1.00 1.00 C ATOM 0 H LEU A 61 2.336 9.663 -3.116 1.00 1.00 H new ATOM 0 HA LEU A 61 1.812 12.504 -3.152 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.569 10.783 -5.586 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.430 12.077 -5.269 1.00 1.00 H new ATOM 0 HG LEU A 61 1.799 13.060 -6.720 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.316 14.665 -5.622 1.00 1.00 H new ATOM 0 HD12 LEU A 61 1.733 14.524 -4.821 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.163 13.738 -4.111 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.246 12.841 -6.910 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.221 11.670 -5.571 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.379 11.298 -7.093 1.00 1.00 H new ATOM 996 N GLU A 62 -0.764 11.533 -3.029 1.00 1.00 N ATOM 997 CA GLU A 62 -2.054 10.962 -2.657 1.00 1.00 C ATOM 998 C GLU A 62 -2.442 9.945 -3.735 1.00 1.00 C ATOM 999 O GLU A 62 -2.543 8.747 -3.479 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.068 12.113 -2.506 1.00 1.00 C ATOM 1001 CG GLU A 62 -2.714 13.022 -1.307 1.00 1.00 C ATOM 1002 CD GLU A 62 -3.078 14.497 -1.456 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -3.382 14.962 -2.577 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.941 15.236 -0.453 1.00 1.00 O ATOM 0 H GLU A 62 -0.807 12.525 -3.262 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.024 10.436 -1.703 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.087 12.706 -3.421 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.069 11.703 -2.371 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -3.215 12.632 -0.421 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.642 12.949 -1.125 1.00 1.00 H new ATOM 1011 N THR A 63 -2.584 10.425 -4.967 1.00 1.00 N ATOM 1012 CA THR A 63 -3.034 9.678 -6.132 1.00 1.00 C ATOM 1013 C THR A 63 -2.079 8.512 -6.439 1.00 1.00 C ATOM 1014 O THR A 63 -2.517 7.360 -6.528 1.00 1.00 O ATOM 1015 CB THR A 63 -3.187 10.702 -7.276 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.782 11.882 -6.748 1.00 1.00 O ATOM 1017 CG2 THR A 63 -4.064 10.214 -8.423 1.00 1.00 C ATOM 0 H THR A 63 -2.376 11.399 -5.189 1.00 1.00 H new ATOM 0 HA THR A 63 -3.996 9.193 -5.969 1.00 1.00 H new ATOM 0 HB THR A 63 -2.189 10.875 -7.678 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.885 12.545 -7.463 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.125 10.987 -9.189 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.631 9.311 -8.853 1.00 1.00 H new ATOM 0 HG23 THR A 63 -5.064 9.995 -8.049 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.763 8.779 -6.518 1.00 1.00 N ATOM 1026 CA TYR A 64 0.221 7.710 -6.701 1.00 1.00 C ATOM 1027 C TYR A 64 0.173 6.746 -5.521 1.00 1.00 C ATOM 1028 O TYR A 64 0.395 5.556 -5.699 1.00 1.00 O ATOM 1029 CB TYR A 64 1.654 8.244 -6.840 1.00 1.00 C ATOM 1030 CG TYR A 64 2.684 7.160 -7.130 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.287 6.438 -6.078 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.038 6.863 -8.458 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.236 5.440 -6.346 1.00 1.00 C ATOM 1034 CE2 TYR A 64 3.968 5.844 -8.736 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.574 5.128 -7.678 1.00 1.00 C ATOM 1036 OH TYR A 64 5.487 4.149 -7.918 1.00 1.00 O ATOM 0 H TYR A 64 -0.365 9.716 -6.458 1.00 1.00 H new ATOM 0 HA TYR A 64 -0.042 7.200 -7.627 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.681 8.983 -7.641 1.00 1.00 H new ATOM 0 HB3 TYR A 64 1.931 8.760 -5.921 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.015 6.656 -5.056 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.594 7.420 -9.269 1.00 1.00 H new ATOM 0 HE1 TYR A 64 4.708 4.911 -5.531 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.219 5.608 -9.760 1.00 1.00 H new ATOM 0 HH TYR A 64 5.614 4.050 -8.885 1.00 1.00 H new ATOM 1046 N GLY A 65 -0.106 7.231 -4.312 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.146 6.394 -3.136 1.00 1.00 C ATOM 1048 C GLY A 65 -1.200 5.296 -3.288 1.00 1.00 C ATOM 1049 O GLY A 65 -0.924 4.124 -3.017 1.00 1.00 O ATOM 0 H GLY A 65 -0.309 8.214 -4.131 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.833 5.944 -2.970 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.370 7.001 -2.259 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.403 5.651 -3.743 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.455 4.669 -3.974 1.00 1.00 C ATOM 1055 C ALA A 66 -3.075 3.714 -5.101 1.00 1.00 C ATOM 1056 O ALA A 66 -3.300 2.511 -4.994 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.768 5.373 -4.289 1.00 1.00 C ATOM 0 H ALA A 66 -2.669 6.612 -3.958 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.580 4.080 -3.065 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.547 4.630 -4.460 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -5.050 6.009 -3.450 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.647 5.985 -5.183 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.477 4.244 -6.165 1.00 1.00 N ATOM 1064 CA GLU A 67 -2.007 3.481 -7.315 1.00 1.00 C ATOM 1065 C GLU A 67 -0.945 2.453 -6.872 1.00 1.00 C ATOM 1066 O GLU A 67 -0.986 1.299 -7.296 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.483 4.482 -8.354 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.140 3.875 -9.716 1.00 1.00 C ATOM 1069 CD GLU A 67 -2.319 3.712 -10.682 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -3.003 4.720 -10.977 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -2.450 2.627 -11.297 1.00 1.00 O ATOM 0 H GLU A 67 -2.302 5.245 -6.252 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.811 2.902 -7.769 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -2.232 5.260 -8.498 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.593 4.967 -7.954 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -0.386 4.500 -10.193 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.687 2.897 -9.555 1.00 1.00 H new ATOM 1078 N LEU A 68 -0.007 2.848 -6.003 1.00 1.00 N ATOM 1079 CA LEU A 68 1.004 1.987 -5.394 1.00 1.00 C ATOM 1080 C LEU A 68 0.292 0.908 -4.596 1.00 1.00 C ATOM 1081 O LEU A 68 0.571 -0.273 -4.768 1.00 1.00 O ATOM 1082 CB LEU A 68 1.952 2.804 -4.488 1.00 1.00 C ATOM 1083 CG LEU A 68 2.993 1.934 -3.752 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.142 2.804 -3.241 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.416 1.205 -2.532 1.00 1.00 C ATOM 0 H LEU A 68 0.068 3.817 -5.695 1.00 1.00 H new ATOM 0 HA LEU A 68 1.616 1.530 -6.172 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.472 3.546 -5.094 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.360 3.350 -3.753 1.00 1.00 H new ATOM 0 HG LEU A 68 3.328 1.198 -4.483 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.870 2.179 -2.724 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.624 3.301 -4.083 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.752 3.553 -2.552 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.198 0.611 -2.059 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.034 1.935 -1.819 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.605 0.550 -2.850 1.00 1.00 H new ATOM 1097 N THR A 69 -0.601 1.316 -3.704 1.00 1.00 N ATOM 1098 CA THR A 69 -1.291 0.420 -2.797 1.00 1.00 C ATOM 1099 C THR A 69 -2.003 -0.658 -3.625 1.00 1.00 C ATOM 1100 O THR A 69 -1.743 -1.840 -3.420 1.00 1.00 O ATOM 1101 CB THR A 69 -2.178 1.269 -1.873 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.364 2.174 -1.155 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.986 0.470 -0.853 1.00 1.00 C ATOM 0 H THR A 69 -0.868 2.294 -3.592 1.00 1.00 H new ATOM 0 HA THR A 69 -0.625 -0.131 -2.133 1.00 1.00 H new ATOM 0 HB THR A 69 -2.891 1.767 -2.530 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.225 2.984 -1.689 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.581 1.152 -0.246 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.647 -0.223 -1.374 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.308 -0.090 -0.210 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.796 -0.280 -4.632 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.457 -1.203 -5.547 1.00 1.00 C ATOM 1113 C ALA A 70 -2.448 -2.103 -6.276 1.00 1.00 C ATOM 1114 O ALA A 70 -2.704 -3.295 -6.408 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.227 -0.385 -6.603 1.00 1.00 C ATOM 0 H ALA A 70 -2.998 0.699 -4.835 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.126 -1.836 -4.964 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.727 -1.063 -7.295 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.970 0.241 -6.108 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.530 0.246 -7.154 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.327 -1.563 -6.767 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.285 -2.330 -7.465 1.00 1.00 C ATOM 1123 C ASN A 71 0.182 -3.485 -6.597 1.00 1.00 C ATOM 1124 O ASN A 71 0.166 -4.648 -6.987 1.00 1.00 O ATOM 1125 CB ASN A 71 0.928 -1.433 -7.765 1.00 1.00 C ATOM 1126 CG ASN A 71 2.053 -2.169 -8.479 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.210 -2.056 -9.691 1.00 1.00 O ATOM 1128 ND2 ASN A 71 2.897 -2.873 -7.747 1.00 1.00 N ATOM 0 H ASN A 71 -1.114 -0.568 -6.691 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.709 -2.706 -8.396 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.607 -0.591 -8.378 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.308 -1.021 -6.830 1.00 1.00 H new ATOM 0 HD21 ASN A 71 3.694 -3.333 -8.188 1.00 1.00 H new ATOM 0 HD22 ASN A 71 2.752 -2.957 -6.741 1.00 1.00 H new ATOM 1135 N VAL A 72 0.659 -3.117 -5.418 1.00 1.00 N ATOM 1136 CA VAL A 72 1.186 -4.049 -4.432 1.00 1.00 C ATOM 1137 C VAL A 72 0.092 -5.043 -3.995 1.00 1.00 C ATOM 1138 O VAL A 72 0.369 -6.231 -3.828 1.00 1.00 O ATOM 1139 CB VAL A 72 1.788 -3.254 -3.260 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.350 -4.210 -2.207 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.941 -2.329 -3.700 1.00 1.00 C ATOM 0 H VAL A 72 0.691 -2.144 -5.114 1.00 1.00 H new ATOM 0 HA VAL A 72 1.986 -4.651 -4.864 1.00 1.00 H new ATOM 0 HB VAL A 72 0.977 -2.647 -2.858 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.773 -3.636 -1.383 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.550 -4.848 -1.831 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.128 -4.828 -2.655 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.328 -1.793 -2.834 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.738 -2.926 -4.143 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.573 -1.613 -4.435 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.155 -4.596 -3.843 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.284 -5.467 -3.530 1.00 1.00 C ATOM 1153 C LEU A 73 -2.462 -6.495 -4.647 1.00 1.00 C ATOM 1154 O LEU A 73 -2.561 -7.690 -4.379 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.533 -4.608 -3.261 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.481 -3.946 -1.866 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.545 -2.852 -1.810 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.629 -4.911 -0.685 1.00 1.00 C ATOM 0 H LEU A 73 -1.410 -3.613 -3.935 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.101 -6.037 -2.619 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.616 -3.837 -4.027 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.425 -5.230 -3.336 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.479 -3.532 -1.750 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.523 -2.373 -0.831 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.344 -2.109 -2.582 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.528 -3.292 -1.977 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.580 -4.352 0.250 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.589 -5.423 -0.752 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.824 -5.645 -0.712 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.434 -6.070 -5.910 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.477 -6.989 -7.048 1.00 1.00 C ATOM 1172 C ARG A 74 -1.295 -7.959 -7.007 1.00 1.00 C ATOM 1173 O ARG A 74 -1.477 -9.132 -7.319 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.482 -6.227 -8.381 1.00 1.00 C ATOM 1175 CG ARG A 74 -2.881 -7.177 -9.522 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.569 -6.647 -10.923 1.00 1.00 C ATOM 1177 NE ARG A 74 -2.961 -5.246 -11.122 1.00 1.00 N ATOM 1178 CZ ARG A 74 -4.204 -4.764 -11.087 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -5.254 -5.574 -10.959 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -4.368 -3.453 -11.166 1.00 1.00 N ATOM 0 H ARG A 74 -2.381 -5.086 -6.172 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.404 -7.558 -6.974 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.180 -5.391 -8.330 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.495 -5.807 -8.574 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.367 -8.128 -9.383 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -3.950 -7.380 -9.453 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.500 -6.747 -11.110 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.081 -7.267 -11.659 1.00 1.00 H new ATOM 0 HE ARG A 74 -2.212 -4.578 -11.304 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -5.115 -6.582 -10.886 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -6.197 -5.186 -10.934 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -3.556 -2.842 -11.251 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -5.306 -3.054 -11.142 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.099 -7.523 -6.606 1.00 1.00 N ATOM 1195 CA ASP A 75 1.055 -8.412 -6.442 1.00 1.00 C ATOM 1196 C ASP A 75 0.711 -9.511 -5.423 1.00 1.00 C ATOM 1197 O ASP A 75 0.974 -10.694 -5.662 1.00 1.00 O ATOM 1198 CB ASP A 75 2.306 -7.596 -6.093 1.00 1.00 C ATOM 1199 CG ASP A 75 3.605 -8.399 -6.056 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.627 -9.592 -6.428 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.629 -7.820 -5.635 1.00 1.00 O ATOM 0 H ASP A 75 0.097 -6.547 -6.386 1.00 1.00 H new ATOM 0 HA ASP A 75 1.290 -8.921 -7.377 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.413 -6.792 -6.821 1.00 1.00 H new ATOM 0 HB3 ASP A 75 2.157 -7.127 -5.120 1.00 1.00 H new ATOM 1206 N MET A 76 0.019 -9.166 -4.328 1.00 1.00 N ATOM 1207 CA MET A 76 -0.474 -10.139 -3.342 1.00 1.00 C ATOM 1208 C MET A 76 -1.592 -11.025 -3.932 1.00 1.00 C ATOM 1209 O MET A 76 -2.034 -11.964 -3.271 1.00 1.00 O ATOM 1210 CB MET A 76 -1.038 -9.450 -2.083 1.00 1.00 C ATOM 1211 CG MET A 76 -0.061 -8.552 -1.325 1.00 1.00 C ATOM 1212 SD MET A 76 -0.892 -7.403 -0.200 1.00 1.00 S ATOM 1213 CE MET A 76 -1.378 -8.523 1.141 1.00 1.00 C ATOM 0 H MET A 76 -0.216 -8.200 -4.100 1.00 1.00 H new ATOM 0 HA MET A 76 0.388 -10.749 -3.072 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.901 -8.852 -2.375 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.399 -10.220 -1.401 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.630 -9.174 -0.756 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.535 -7.985 -2.041 1.00 1.00 H new ATOM 0 HE1 MET A 76 -2.093 -8.021 1.793 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.837 -9.417 0.720 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.497 -8.805 1.717 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.065 -10.767 -5.152 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.179 -11.440 -5.816 1.00 1.00 C ATOM 1225 C GLY A 77 -4.527 -10.818 -5.448 1.00 1.00 C ATOM 1226 O GLY A 77 -5.579 -11.343 -5.810 1.00 1.00 O ATOM 0 H GLY A 77 -1.655 -10.039 -5.737 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.040 -11.391 -6.896 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.180 -12.495 -5.542 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.529 -9.716 -4.703 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.721 -9.073 -4.184 1.00 1.00 C ATOM 1232 C LEU A 78 -6.187 -8.016 -5.196 1.00 1.00 C ATOM 1233 O LEU A 78 -6.017 -6.807 -5.008 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.366 -8.509 -2.803 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.557 -8.205 -1.879 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.158 -6.996 -1.038 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.896 -7.936 -2.574 1.00 1.00 C ATOM 0 H LEU A 78 -3.670 -9.234 -4.438 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.559 -9.758 -4.054 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.711 -9.219 -2.299 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.794 -7.591 -2.942 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.746 -9.104 -1.292 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.973 -6.738 -0.362 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.267 -7.235 -0.458 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.949 -6.150 -1.693 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.661 -7.734 -1.824 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.797 -7.073 -3.233 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.184 -8.809 -3.160 1.00 1.00 H new ATOM 1249 N GLN A 79 -6.760 -8.478 -6.306 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.151 -7.607 -7.407 1.00 1.00 C ATOM 1251 C GLN A 79 -8.405 -6.767 -7.132 1.00 1.00 C ATOM 1252 O GLN A 79 -8.460 -5.621 -7.582 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.273 -8.418 -8.704 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.289 -9.568 -8.670 1.00 1.00 C ATOM 1255 CD GLN A 79 -8.368 -10.251 -10.031 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.298 -10.021 -10.801 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -7.395 -11.075 -10.377 1.00 1.00 N ATOM 0 H GLN A 79 -6.965 -9.465 -6.465 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.353 -6.873 -7.521 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -7.545 -7.739 -9.512 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.293 -8.829 -8.949 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.001 -10.293 -7.909 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -9.271 -9.186 -8.391 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -6.628 -11.259 -9.730 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -7.411 -11.527 -11.291 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.417 -7.280 -6.425 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.659 -6.522 -6.248 1.00 1.00 C ATOM 1268 C GLU A 80 -10.481 -5.328 -5.306 1.00 1.00 C ATOM 1269 O GLU A 80 -11.154 -4.310 -5.482 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.831 -7.406 -5.808 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.556 -8.296 -4.586 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.205 -9.709 -5.036 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -10.060 -9.933 -5.484 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -12.116 -10.577 -5.004 1.00 1.00 O ATOM 0 H GLU A 80 -9.403 -8.195 -5.975 1.00 1.00 H new ATOM 0 HA GLU A 80 -10.909 -6.126 -7.232 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.685 -6.766 -5.586 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.119 -8.043 -6.644 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.737 -7.879 -3.999 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -12.433 -8.319 -3.939 1.00 1.00 H new ATOM 1281 N MET A 81 -9.599 -5.418 -4.304 1.00 1.00 N ATOM 1282 CA MET A 81 -9.300 -4.275 -3.442 1.00 1.00 C ATOM 1283 C MET A 81 -8.590 -3.240 -4.285 1.00 1.00 C ATOM 1284 O MET A 81 -9.021 -2.104 -4.298 1.00 1.00 O ATOM 1285 CB MET A 81 -8.476 -4.666 -2.220 1.00 1.00 C ATOM 1286 CG MET A 81 -8.206 -3.455 -1.335 1.00 1.00 C ATOM 1287 SD MET A 81 -7.402 -3.848 0.235 1.00 1.00 S ATOM 1288 CE MET A 81 -8.848 -4.276 1.233 1.00 1.00 C ATOM 0 H MET A 81 -9.083 -6.267 -4.073 1.00 1.00 H new ATOM 0 HA MET A 81 -10.229 -3.867 -3.043 1.00 1.00 H new ATOM 0 HB2 MET A 81 -9.005 -5.428 -1.648 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.531 -5.106 -2.539 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.581 -2.750 -1.884 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.151 -2.951 -1.130 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.564 -4.320 2.284 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.621 -3.519 1.097 1.00 1.00 H new ATOM 0 HE3 MET A 81 -9.232 -5.247 0.920 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.587 -3.636 -5.069 1.00 1.00 N ATOM 1299 CA ALA A 82 -6.868 -2.729 -5.955 1.00 1.00 C ATOM 1300 C ALA A 82 -7.841 -1.970 -6.876 1.00 1.00 C ATOM 1301 O ALA A 82 -7.695 -0.757 -7.079 1.00 1.00 O ATOM 1302 CB ALA A 82 -5.867 -3.564 -6.764 1.00 1.00 C ATOM 0 H ALA A 82 -7.252 -4.599 -5.105 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.338 -1.974 -5.375 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.311 -2.913 -7.439 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.173 -4.059 -6.085 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.404 -4.314 -7.344 1.00 1.00 H new ATOM 1308 N GLY A 83 -8.858 -2.669 -7.383 1.00 1.00 N ATOM 1309 CA GLY A 83 -9.928 -2.107 -8.187 1.00 1.00 C ATOM 1310 C GLY A 83 -10.757 -1.087 -7.406 1.00 1.00 C ATOM 1311 O GLY A 83 -10.797 0.088 -7.775 1.00 1.00 O ATOM 0 H GLY A 83 -8.956 -3.674 -7.237 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.505 -1.630 -9.071 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.577 -2.909 -8.538 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.422 -1.518 -6.329 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.296 -0.635 -5.557 1.00 1.00 C ATOM 1317 C GLN A 84 -11.532 0.527 -4.922 1.00 1.00 C ATOM 1318 O GLN A 84 -12.088 1.614 -4.818 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.038 -1.402 -4.458 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.120 -2.345 -4.987 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.130 -2.637 -3.879 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -14.846 -3.400 -2.952 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -16.287 -2.000 -3.908 1.00 1.00 N ATOM 0 H GLN A 84 -11.370 -2.473 -5.974 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.016 -0.230 -6.268 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.316 -1.980 -3.880 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.495 -0.687 -3.774 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.623 -1.894 -5.842 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.669 -3.274 -5.336 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -16.505 -1.373 -4.682 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.963 -2.135 -3.156 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.277 0.318 -4.524 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.350 1.298 -3.974 1.00 1.00 C ATOM 1334 C LEU A 85 -9.094 2.394 -4.995 1.00 1.00 C ATOM 1335 O LEU A 85 -9.220 3.580 -4.673 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.034 0.582 -3.632 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.946 1.501 -3.071 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.134 1.694 -1.582 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.588 0.850 -3.232 1.00 1.00 C ATOM 0 H LEU A 85 -9.855 -0.609 -4.583 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.772 1.751 -3.077 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.240 -0.204 -2.906 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.655 0.095 -4.530 1.00 1.00 H new ATOM 0 HG LEU A 85 -7.011 2.448 -3.607 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.352 2.350 -1.199 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.109 2.143 -1.394 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.076 0.728 -1.080 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.818 1.509 -2.831 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.572 -0.097 -2.692 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.395 0.668 -4.289 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.719 2.002 -6.219 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.544 2.937 -7.318 1.00 1.00 C ATOM 1353 C GLN A 86 -9.825 3.752 -7.491 1.00 1.00 C ATOM 1354 O GLN A 86 -9.770 4.986 -7.491 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.142 2.144 -8.572 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.198 2.896 -9.909 1.00 1.00 C ATOM 1357 CD GLN A 86 -9.603 2.971 -10.508 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -10.182 1.946 -10.867 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -10.190 4.150 -10.616 1.00 1.00 N ATOM 0 H GLN A 86 -8.531 1.030 -6.466 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.746 3.653 -7.120 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.126 1.776 -8.431 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -8.790 1.271 -8.645 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -7.819 3.908 -9.764 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.534 2.406 -10.621 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -9.701 4.993 -10.315 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -11.133 4.217 -11.000 1.00 1.00 H new ATOM 1368 N ALA A 87 -10.963 3.068 -7.624 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.241 3.708 -7.890 1.00 1.00 C ATOM 1370 C ALA A 87 -12.734 4.542 -6.702 1.00 1.00 C ATOM 1371 O ALA A 87 -13.520 5.465 -6.891 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.260 2.640 -8.283 1.00 1.00 C ATOM 0 H ALA A 87 -11.018 2.052 -7.549 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.112 4.409 -8.715 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.222 3.111 -8.484 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -12.916 2.121 -9.177 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.370 1.925 -7.468 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.310 4.244 -5.476 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.638 5.041 -4.306 1.00 1.00 C ATOM 1380 C ALA A 88 -11.822 6.328 -4.365 1.00 1.00 C ATOM 1381 O ALA A 88 -12.369 7.410 -4.161 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.352 4.260 -3.020 1.00 1.00 C ATOM 0 H ALA A 88 -11.724 3.435 -5.269 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.701 5.282 -4.301 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.605 4.876 -2.157 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.953 3.350 -3.005 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.295 3.997 -2.981 1.00 1.00 H new ATOM 1388 N THR A 89 -10.529 6.217 -4.663 1.00 1.00 N ATOM 1389 CA THR A 89 -9.609 7.341 -4.704 1.00 1.00 C ATOM 1390 C THR A 89 -9.992 8.365 -5.765 1.00 1.00 C ATOM 1391 O THR A 89 -9.940 9.575 -5.524 1.00 1.00 O ATOM 1392 CB THR A 89 -8.181 6.822 -4.914 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.860 5.938 -3.860 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.194 7.993 -4.970 1.00 1.00 C ATOM 0 H THR A 89 -10.088 5.325 -4.886 1.00 1.00 H new ATOM 0 HA THR A 89 -9.664 7.863 -3.749 1.00 1.00 H new ATOM 0 HB THR A 89 -8.114 6.288 -5.862 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.280 5.068 -4.023 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.184 7.611 -5.119 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.458 8.652 -5.797 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.236 8.550 -4.034 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.327 7.864 -6.941 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.679 8.637 -8.107 1.00 1.00 C ATOM 1404 C HIS A 90 -11.620 7.792 -8.956 1.00 1.00 C ATOM 1405 O HIS A 90 -11.172 6.957 -9.747 1.00 1.00 O ATOM 1406 CB HIS A 90 -9.420 9.079 -8.859 1.00 1.00 C ATOM 1407 CG HIS A 90 -9.736 10.054 -9.960 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -9.719 11.429 -9.856 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -10.134 9.733 -11.226 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -10.070 11.934 -11.050 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -10.352 10.934 -11.904 1.00 1.00 N ATOM 0 H HIS A 90 -10.361 6.859 -7.111 1.00 1.00 H new ATOM 0 HA HIS A 90 -11.194 9.558 -7.831 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -8.721 9.537 -8.159 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -8.923 8.205 -9.280 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -10.257 8.738 -11.627 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -10.119 12.986 -11.289 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -10.667 11.034 -12.869 1.00 1.00 H new ATOM 1419 N GLN A 91 -12.919 7.984 -8.735 1.00 1.00 N ATOM 1420 CA GLN A 91 -13.976 7.224 -9.372 1.00 1.00 C ATOM 1421 C GLN A 91 -14.056 7.611 -10.833 1.00 1.00 C ATOM 1422 O GLN A 91 -13.699 6.780 -11.691 1.00 1.00 O ATOM 1423 CB GLN A 91 -15.289 7.478 -8.619 1.00 1.00 C ATOM 1424 CG GLN A 91 -16.377 6.479 -9.023 1.00 1.00 C ATOM 1425 CD GLN A 91 -17.703 6.900 -8.403 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -18.372 7.792 -8.924 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -18.054 6.339 -7.262 1.00 1.00 N ATOM 1428 OXT GLN A 91 -14.498 8.739 -11.139 1.00 1.00 O ATOM 0 H GLN A 91 -13.268 8.693 -8.090 1.00 1.00 H new ATOM 0 HA GLN A 91 -13.773 6.154 -9.332 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.112 7.409 -7.546 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -15.634 8.492 -8.820 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -16.466 6.440 -10.109 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -16.108 5.477 -8.689 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -17.477 5.602 -6.857 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -18.903 6.642 -6.784 1.00 1.00 H new TER 1437 GLN A 91