USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 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 54 CYS SG : rot -20:sc= -1.45 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.294 K(o=-1.7,f=-10!) USER MOD Single : A 1 MET CE :methyl -165:sc= -1.55 (180deg=-1.77!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= 0.116 (180deg=-0.332) USER MOD Single : A 4 SER OG : rot 121:sc= 1 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00832 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 28 MET CE :methyl 161:sc= -0.142 (180deg=-0.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.473 K(o=-0.47,f=-4.9!) USER MOD Single : A 57 MET CE :methyl -169:sc= -1.51 (180deg=-1.72) USER MOD Single : A 60 THR OG1 : rot -171:sc= -0.578 USER MOD Single : A 61 MET CE :methyl 158:sc= -1.21 (180deg=-1.9!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.133 F(o=-2,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0169 X(o=-0.017,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.222 -10.483 -4.567 1.00 0.00 N ATOM 2 CA MET A 1 -5.217 -9.204 -5.307 1.00 0.00 C ATOM 3 C MET A 1 -4.175 -8.260 -4.717 1.00 0.00 C ATOM 4 O MET A 1 -4.111 -8.069 -3.503 1.00 0.00 O ATOM 5 CB MET A 1 -6.607 -8.566 -5.269 1.00 0.00 C ATOM 6 CG MET A 1 -6.752 -7.372 -6.195 1.00 0.00 C ATOM 7 SD MET A 1 -8.451 -6.778 -6.298 1.00 0.00 S ATOM 8 CE MET A 1 -8.270 -5.460 -7.499 1.00 0.00 C ATOM 0 H1 MET A 1 -5.936 -11.119 -4.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.284 -10.927 -4.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.450 -10.305 -3.568 1.00 0.00 H new ATOM 0 HA MET A 1 -4.956 -9.398 -6.347 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.350 -9.317 -5.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.826 -8.253 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.109 -6.565 -5.844 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.405 -7.645 -7.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.156 -4.825 -7.478 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.390 -4.864 -7.256 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.154 -5.888 -8.495 1.00 0.00 H new ATOM 20 N LYS A 2 -3.360 -7.677 -5.585 1.00 0.00 N ATOM 21 CA LYS A 2 -2.257 -6.823 -5.162 1.00 0.00 C ATOM 22 C LYS A 2 -2.730 -5.399 -4.921 1.00 0.00 C ATOM 23 O LYS A 2 -3.730 -4.961 -5.492 1.00 0.00 O ATOM 24 CB LYS A 2 -1.155 -6.792 -6.229 1.00 0.00 C ATOM 25 CG LYS A 2 -0.294 -8.045 -6.323 1.00 0.00 C ATOM 26 CD LYS A 2 -1.113 -9.300 -6.576 1.00 0.00 C ATOM 27 CE LYS A 2 -0.270 -10.396 -7.200 1.00 0.00 C ATOM 28 NZ LYS A 2 0.156 -10.048 -8.582 1.00 0.00 N ATOM 0 H LYS A 2 -3.443 -7.781 -6.596 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.865 -7.240 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.619 -6.618 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.505 -5.940 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.433 -7.922 -7.126 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.270 -8.164 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.536 -9.655 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.950 -9.064 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.610 -10.573 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.839 -11.326 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.375 -10.918 -9.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.611 -9.537 -9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.002 -9.445 -8.543 1.00 0.00 H new ATOM 42 N LEU A 3 -2.001 -4.684 -4.081 1.00 0.00 N ATOM 43 CA LEU A 3 -2.248 -3.264 -3.865 1.00 0.00 C ATOM 44 C LEU A 3 -1.950 -2.486 -5.149 1.00 0.00 C ATOM 45 O LEU A 3 -2.587 -1.476 -5.445 1.00 0.00 O ATOM 46 CB LEU A 3 -1.389 -2.757 -2.700 1.00 0.00 C ATOM 47 CG LEU A 3 -1.519 -1.270 -2.369 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.973 -0.886 -2.139 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.686 -0.931 -1.148 1.00 0.00 C ATOM 0 H LEU A 3 -1.229 -5.064 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.296 -3.110 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.645 -3.331 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.344 -2.969 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.149 -0.699 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.036 0.177 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.551 -1.095 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.375 -1.465 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.787 0.131 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.032 -1.517 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.361 -1.162 -1.346 1.00 0.00 H new ATOM 61 N SER A 4 -0.990 -2.988 -5.915 1.00 0.00 N ATOM 62 CA SER A 4 -0.614 -2.387 -7.187 1.00 0.00 C ATOM 63 C SER A 4 -1.629 -2.704 -8.286 1.00 0.00 C ATOM 64 O SER A 4 -1.619 -2.078 -9.349 1.00 0.00 O ATOM 65 CB SER A 4 0.760 -2.904 -7.587 1.00 0.00 C ATOM 66 OG SER A 4 0.833 -4.303 -7.385 1.00 0.00 O ATOM 0 H SER A 4 -0.452 -3.820 -5.673 1.00 0.00 H new ATOM 0 HA SER A 4 -0.593 -1.304 -7.065 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.954 -2.670 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.530 -2.404 -7.000 1.00 0.00 H new ATOM 0 HG SER A 4 1.035 -4.746 -8.235 1.00 0.00 H new ATOM 72 N GLU A 5 -2.497 -3.680 -8.031 1.00 0.00 N ATOM 73 CA GLU A 5 -3.510 -4.071 -9.003 1.00 0.00 C ATOM 74 C GLU A 5 -4.760 -3.220 -8.843 1.00 0.00 C ATOM 75 O GLU A 5 -5.693 -3.309 -9.643 1.00 0.00 O ATOM 76 CB GLU A 5 -3.864 -5.550 -8.859 1.00 0.00 C ATOM 77 CG GLU A 5 -2.725 -6.487 -9.223 1.00 0.00 C ATOM 78 CD GLU A 5 -3.099 -7.946 -9.067 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.968 -8.253 -8.222 1.00 0.00 O ATOM 80 OE2 GLU A 5 -2.520 -8.797 -9.774 1.00 0.00 O ATOM 0 H GLU A 5 -2.518 -4.212 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.098 -3.910 -9.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.168 -5.744 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.723 -5.773 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.422 -6.302 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.863 -6.267 -8.593 1.00 0.00 H new ATOM 87 N LEU A 6 -4.775 -2.400 -7.803 1.00 0.00 N ATOM 88 CA LEU A 6 -5.865 -1.459 -7.597 1.00 0.00 C ATOM 89 C LEU A 6 -5.772 -0.334 -8.617 1.00 0.00 C ATOM 90 O LEU A 6 -4.738 -0.155 -9.260 1.00 0.00 O ATOM 91 CB LEU A 6 -5.846 -0.921 -6.167 1.00 0.00 C ATOM 92 CG LEU A 6 -6.212 -1.952 -5.097 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.137 -1.343 -3.708 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.602 -2.506 -5.357 1.00 0.00 C ATOM 0 H LEU A 6 -4.046 -2.367 -7.090 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.816 -1.973 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.851 -0.530 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.539 -0.083 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.491 -2.768 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.402 -2.096 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.123 -0.989 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.832 -0.506 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.851 -3.239 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.328 -1.693 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.626 -2.984 -6.336 1.00 0.00 H new ATOM 106 N LYS A 7 -6.842 0.423 -8.769 1.00 0.00 N ATOM 107 CA LYS A 7 -6.955 1.345 -9.891 1.00 0.00 C ATOM 108 C LYS A 7 -7.413 2.733 -9.450 1.00 0.00 C ATOM 109 O LYS A 7 -8.079 3.443 -10.208 1.00 0.00 O ATOM 110 CB LYS A 7 -7.918 0.752 -10.921 1.00 0.00 C ATOM 111 CG LYS A 7 -9.283 0.415 -10.346 1.00 0.00 C ATOM 112 CD LYS A 7 -9.999 -0.637 -11.173 1.00 0.00 C ATOM 113 CE LYS A 7 -9.367 -2.007 -10.988 1.00 0.00 C ATOM 114 NZ LYS A 7 -10.023 -3.043 -11.827 1.00 0.00 N ATOM 0 H LYS A 7 -7.642 0.421 -8.136 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.969 1.474 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.042 1.459 -11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.476 -0.151 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.168 0.057 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.892 1.318 -10.301 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.050 -0.677 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.968 -0.359 -12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.308 -1.954 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.431 -2.297 -9.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.561 -3.961 -11.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.028 -3.113 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.940 -2.781 -12.830 1.00 0.00 H new ATOM 128 N ALA A 8 -7.020 3.109 -8.232 1.00 0.00 N ATOM 129 CA ALA A 8 -7.298 4.431 -7.662 1.00 0.00 C ATOM 130 C ALA A 8 -8.765 4.593 -7.280 1.00 0.00 C ATOM 131 O ALA A 8 -9.666 4.200 -8.019 1.00 0.00 O ATOM 132 CB ALA A 8 -6.857 5.544 -8.602 1.00 0.00 C ATOM 0 H ALA A 8 -6.494 2.499 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.713 4.509 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.077 6.511 -8.150 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.785 5.464 -8.783 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.392 5.455 -9.547 1.00 0.00 H new ATOM 138 N GLY A 9 -8.996 5.177 -6.111 1.00 0.00 N ATOM 139 CA GLY A 9 -10.348 5.343 -5.612 1.00 0.00 C ATOM 140 C GLY A 9 -10.826 4.118 -4.858 1.00 0.00 C ATOM 141 O GLY A 9 -11.887 4.133 -4.235 1.00 0.00 O ATOM 0 H GLY A 9 -8.267 5.540 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.389 6.212 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.021 5.542 -6.446 1.00 0.00 H new ATOM 145 N ASP A 10 -10.032 3.062 -4.910 1.00 0.00 N ATOM 146 CA ASP A 10 -10.380 1.799 -4.277 1.00 0.00 C ATOM 147 C ASP A 10 -10.098 1.842 -2.786 1.00 0.00 C ATOM 148 O ASP A 10 -9.042 2.316 -2.363 1.00 0.00 O ATOM 149 CB ASP A 10 -9.581 0.653 -4.900 1.00 0.00 C ATOM 150 CG ASP A 10 -9.756 0.560 -6.399 1.00 0.00 C ATOM 151 OD1 ASP A 10 -10.822 0.097 -6.855 1.00 0.00 O ATOM 152 OD2 ASP A 10 -8.826 0.956 -7.124 1.00 0.00 O ATOM 0 H ASP A 10 -9.132 3.054 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.446 1.633 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.524 0.787 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.889 -0.288 -4.444 1.00 0.00 H new ATOM 157 N ARG A 11 -11.046 1.358 -1.994 1.00 0.00 N ATOM 158 CA ARG A 11 -10.829 1.197 -0.563 1.00 0.00 C ATOM 159 C ARG A 11 -10.555 -0.272 -0.276 1.00 0.00 C ATOM 160 O ARG A 11 -11.398 -1.129 -0.545 1.00 0.00 O ATOM 161 CB ARG A 11 -12.041 1.661 0.260 1.00 0.00 C ATOM 162 CG ARG A 11 -12.503 3.080 -0.035 1.00 0.00 C ATOM 163 CD ARG A 11 -13.593 3.103 -1.098 1.00 0.00 C ATOM 164 NE ARG A 11 -14.793 2.381 -0.667 1.00 0.00 N ATOM 165 CZ ARG A 11 -15.881 2.215 -1.418 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.959 2.763 -2.621 1.00 0.00 N ATOM 167 NH2 ARG A 11 -16.912 1.523 -0.950 1.00 0.00 N ATOM 0 H ARG A 11 -11.970 1.071 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.980 1.816 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.870 0.978 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.794 1.586 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.876 3.540 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.655 3.678 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.854 4.136 -1.328 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.213 2.658 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.796 1.979 0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.182 3.318 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.796 2.630 -3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.872 1.118 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.745 1.396 -1.525 1.00 0.00 H new ATOM 181 N ALA A 12 -9.389 -0.567 0.269 1.00 0.00 N ATOM 182 CA ALA A 12 -8.987 -1.947 0.458 1.00 0.00 C ATOM 183 C ALA A 12 -8.405 -2.171 1.841 1.00 0.00 C ATOM 184 O ALA A 12 -7.708 -1.306 2.383 1.00 0.00 O ATOM 185 CB ALA A 12 -7.985 -2.353 -0.612 1.00 0.00 C ATOM 0 H ALA A 12 -8.709 0.124 0.586 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.876 -2.571 0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.691 -3.391 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.440 -2.246 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.105 -1.713 -0.548 1.00 0.00 H new ATOM 191 N GLU A 13 -8.703 -3.328 2.410 1.00 0.00 N ATOM 192 CA GLU A 13 -8.132 -3.726 3.682 1.00 0.00 C ATOM 193 C GLU A 13 -6.856 -4.519 3.434 1.00 0.00 C ATOM 194 O GLU A 13 -6.832 -5.425 2.595 1.00 0.00 O ATOM 195 CB GLU A 13 -9.128 -4.569 4.483 1.00 0.00 C ATOM 196 CG GLU A 13 -8.604 -4.977 5.854 1.00 0.00 C ATOM 197 CD GLU A 13 -9.579 -5.832 6.638 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.562 -5.277 7.170 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.351 -7.057 6.741 1.00 0.00 O ATOM 0 H GLU A 13 -9.343 -4.012 2.005 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.901 -2.832 4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.053 -4.006 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.375 -5.465 3.914 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.670 -5.524 5.730 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.374 -4.080 6.429 1.00 0.00 H new ATOM 206 N VAL A 14 -5.797 -4.164 4.139 1.00 0.00 N ATOM 207 CA VAL A 14 -4.536 -4.871 4.022 1.00 0.00 C ATOM 208 C VAL A 14 -4.580 -6.158 4.833 1.00 0.00 C ATOM 209 O VAL A 14 -4.702 -6.128 6.061 1.00 0.00 O ATOM 210 CB VAL A 14 -3.355 -4.003 4.501 1.00 0.00 C ATOM 211 CG1 VAL A 14 -2.050 -4.772 4.394 1.00 0.00 C ATOM 212 CG2 VAL A 14 -3.283 -2.708 3.708 1.00 0.00 C ATOM 0 H VAL A 14 -5.786 -3.388 4.800 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.385 -5.104 2.968 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.518 -3.751 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.228 -4.143 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.104 -5.668 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.880 -5.058 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.443 -2.111 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.146 -2.936 2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.208 -2.148 3.842 1.00 0.00 H new ATOM 222 N THR A 15 -4.497 -7.286 4.144 1.00 0.00 N ATOM 223 CA THR A 15 -4.534 -8.580 4.798 1.00 0.00 C ATOM 224 C THR A 15 -3.127 -9.141 5.005 1.00 0.00 C ATOM 225 O THR A 15 -2.851 -9.802 6.011 1.00 0.00 O ATOM 226 CB THR A 15 -5.386 -9.578 3.990 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.038 -9.503 2.601 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.871 -9.286 4.163 1.00 0.00 C ATOM 0 H THR A 15 -4.403 -7.329 3.129 1.00 0.00 H new ATOM 0 HA THR A 15 -4.992 -8.437 5.777 1.00 0.00 H new ATOM 0 HB THR A 15 -5.184 -10.582 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.582 -10.141 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.453 -10.003 3.584 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.138 -9.369 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.087 -8.277 3.813 1.00 0.00 H new ATOM 236 N SER A 16 -2.231 -8.864 4.064 1.00 0.00 N ATOM 237 CA SER A 16 -0.856 -9.342 4.146 1.00 0.00 C ATOM 238 C SER A 16 0.081 -8.423 3.369 1.00 0.00 C ATOM 239 O SER A 16 -0.303 -7.860 2.344 1.00 0.00 O ATOM 240 CB SER A 16 -0.757 -10.769 3.600 1.00 0.00 C ATOM 241 OG SER A 16 -1.591 -11.652 4.331 1.00 0.00 O ATOM 0 H SER A 16 -2.434 -8.309 3.233 1.00 0.00 H new ATOM 0 HA SER A 16 -0.556 -9.340 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.043 -10.780 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.276 -11.112 3.653 1.00 0.00 H new ATOM 0 HG SER A 16 -1.512 -12.557 3.963 1.00 0.00 H new ATOM 247 N VAL A 17 1.304 -8.273 3.864 1.00 0.00 N ATOM 248 CA VAL A 17 2.280 -7.383 3.247 1.00 0.00 C ATOM 249 C VAL A 17 3.568 -8.134 2.942 1.00 0.00 C ATOM 250 O VAL A 17 4.266 -8.581 3.855 1.00 0.00 O ATOM 251 CB VAL A 17 2.623 -6.188 4.165 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.558 -5.216 3.460 1.00 0.00 C ATOM 253 CG2 VAL A 17 1.363 -5.478 4.630 1.00 0.00 C ATOM 0 H VAL A 17 1.644 -8.758 4.694 1.00 0.00 H new ATOM 0 HA VAL A 17 1.831 -7.010 2.327 1.00 0.00 H new ATOM 0 HB VAL A 17 3.135 -6.578 5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.786 -4.383 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.481 -5.729 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.077 -4.839 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.633 -4.641 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.814 -5.107 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.736 -6.176 5.185 1.00 0.00 H new ATOM 263 N ALA A 18 3.867 -8.294 1.665 1.00 0.00 N ATOM 264 CA ALA A 18 5.141 -8.857 1.253 1.00 0.00 C ATOM 265 C ALA A 18 6.043 -7.754 0.725 1.00 0.00 C ATOM 266 O ALA A 18 5.706 -7.078 -0.244 1.00 0.00 O ATOM 267 CB ALA A 18 4.948 -9.941 0.204 1.00 0.00 C ATOM 0 H ALA A 18 3.246 -8.042 0.896 1.00 0.00 H new ATOM 0 HA ALA A 18 5.613 -9.318 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.918 -10.344 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.331 -10.740 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.456 -9.517 -0.671 1.00 0.00 H new ATOM 273 N ALA A 19 7.174 -7.555 1.379 1.00 0.00 N ATOM 274 CA ALA A 19 8.102 -6.508 0.985 1.00 0.00 C ATOM 275 C ALA A 19 9.501 -6.836 1.464 1.00 0.00 C ATOM 276 O ALA A 19 9.716 -7.850 2.133 1.00 0.00 O ATOM 277 CB ALA A 19 7.664 -5.158 1.544 1.00 0.00 C ATOM 0 H ALA A 19 7.472 -8.104 2.185 1.00 0.00 H new ATOM 0 HA ALA A 19 8.104 -6.449 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.373 -4.389 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.673 -4.911 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.632 -5.208 2.632 1.00 0.00 H new ATOM 283 N GLU A 20 10.445 -5.977 1.116 1.00 0.00 N ATOM 284 CA GLU A 20 11.810 -6.112 1.584 1.00 0.00 C ATOM 285 C GLU A 20 11.811 -5.957 3.105 1.00 0.00 C ATOM 286 O GLU A 20 11.059 -5.140 3.636 1.00 0.00 O ATOM 287 CB GLU A 20 12.656 -5.028 0.903 1.00 0.00 C ATOM 288 CG GLU A 20 14.133 -5.355 0.742 1.00 0.00 C ATOM 289 CD GLU A 20 14.952 -5.050 1.976 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.482 -4.277 2.830 1.00 0.00 O ATOM 291 OE2 GLU A 20 16.078 -5.577 2.087 1.00 0.00 O ATOM 0 H GLU A 20 10.287 -5.174 0.507 1.00 0.00 H new ATOM 0 HA GLU A 20 12.232 -7.086 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.236 -4.830 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.566 -4.107 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.239 -6.412 0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.533 -4.790 -0.100 1.00 0.00 H new ATOM 298 N PRO A 21 12.634 -6.742 3.820 1.00 0.00 N ATOM 299 CA PRO A 21 12.670 -6.750 5.288 1.00 0.00 C ATOM 300 C PRO A 21 12.689 -5.353 5.909 1.00 0.00 C ATOM 301 O PRO A 21 11.925 -5.065 6.834 1.00 0.00 O ATOM 302 CB PRO A 21 13.964 -7.504 5.630 1.00 0.00 C ATOM 303 CG PRO A 21 14.604 -7.876 4.327 1.00 0.00 C ATOM 304 CD PRO A 21 13.562 -7.722 3.253 1.00 0.00 C ATOM 0 HA PRO A 21 11.770 -7.214 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.631 -6.879 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.749 -8.393 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.462 -7.235 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.973 -8.901 4.360 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.997 -7.369 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.065 -8.668 3.036 1.00 0.00 H new ATOM 312 N ALA A 22 13.540 -4.482 5.387 1.00 0.00 N ATOM 313 CA ALA A 22 13.682 -3.137 5.923 1.00 0.00 C ATOM 314 C ALA A 22 12.509 -2.255 5.510 1.00 0.00 C ATOM 315 O ALA A 22 12.000 -1.464 6.307 1.00 0.00 O ATOM 316 CB ALA A 22 14.989 -2.518 5.458 1.00 0.00 C ATOM 0 H ALA A 22 14.144 -4.684 4.590 1.00 0.00 H new ATOM 0 HA ALA A 22 13.690 -3.208 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.081 -1.512 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.824 -3.128 5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.001 -2.469 4.369 1.00 0.00 H new ATOM 322 N VAL A 23 12.070 -2.413 4.267 1.00 0.00 N ATOM 323 CA VAL A 23 11.001 -1.587 3.721 1.00 0.00 C ATOM 324 C VAL A 23 9.664 -1.929 4.371 1.00 0.00 C ATOM 325 O VAL A 23 8.849 -1.046 4.647 1.00 0.00 O ATOM 326 CB VAL A 23 10.904 -1.762 2.191 1.00 0.00 C ATOM 327 CG1 VAL A 23 9.727 -0.987 1.623 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.201 -1.327 1.523 1.00 0.00 C ATOM 0 H VAL A 23 12.439 -3.107 3.617 1.00 0.00 H new ATOM 0 HA VAL A 23 11.238 -0.546 3.941 1.00 0.00 H new ATOM 0 HB VAL A 23 10.741 -2.819 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.685 -1.130 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.802 -1.348 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.849 0.073 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.116 -1.457 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.392 -0.278 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.025 -1.935 1.898 1.00 0.00 H new ATOM 338 N ARG A 24 9.460 -3.214 4.633 1.00 0.00 N ATOM 339 CA ARG A 24 8.237 -3.692 5.265 1.00 0.00 C ATOM 340 C ARG A 24 8.024 -3.016 6.612 1.00 0.00 C ATOM 341 O ARG A 24 6.937 -2.522 6.906 1.00 0.00 O ATOM 342 CB ARG A 24 8.305 -5.204 5.467 1.00 0.00 C ATOM 343 CG ARG A 24 7.030 -5.802 6.038 1.00 0.00 C ATOM 344 CD ARG A 24 7.262 -7.205 6.574 1.00 0.00 C ATOM 345 NE ARG A 24 7.858 -8.085 5.574 1.00 0.00 N ATOM 346 CZ ARG A 24 9.030 -8.699 5.720 1.00 0.00 C ATOM 347 NH1 ARG A 24 9.746 -8.528 6.825 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.483 -9.486 4.754 1.00 0.00 N ATOM 0 H ARG A 24 10.132 -3.949 4.415 1.00 0.00 H new ATOM 0 HA ARG A 24 7.401 -3.447 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.523 -5.680 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.135 -5.436 6.134 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.654 -5.164 6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.262 -5.829 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.913 -7.156 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.314 -7.626 6.907 1.00 0.00 H new ATOM 0 HE ARG A 24 7.343 -8.240 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.399 -7.923 7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.643 -9.002 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.934 -9.618 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.380 -9.959 4.860 1.00 0.00 H new ATOM 362 N ARG A 25 9.075 -2.981 7.420 1.00 0.00 N ATOM 363 CA ARG A 25 8.981 -2.428 8.762 1.00 0.00 C ATOM 364 C ARG A 25 8.720 -0.934 8.731 1.00 0.00 C ATOM 365 O ARG A 25 8.049 -0.410 9.611 1.00 0.00 O ATOM 366 CB ARG A 25 10.243 -2.724 9.561 1.00 0.00 C ATOM 367 CG ARG A 25 10.381 -4.185 9.936 1.00 0.00 C ATOM 368 CD ARG A 25 11.509 -4.394 10.922 1.00 0.00 C ATOM 369 NE ARG A 25 12.815 -4.103 10.335 1.00 0.00 N ATOM 370 CZ ARG A 25 13.939 -4.728 10.675 1.00 0.00 C ATOM 371 NH1 ARG A 25 13.917 -5.687 11.591 1.00 0.00 N ATOM 372 NH2 ARG A 25 15.084 -4.396 10.096 1.00 0.00 N ATOM 0 H ARG A 25 10.001 -3.329 7.169 1.00 0.00 H new ATOM 0 HA ARG A 25 8.135 -2.909 9.253 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.113 -2.421 8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.241 -2.121 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.446 -4.542 10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.564 -4.777 9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.353 -3.755 11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.493 -5.425 11.277 1.00 0.00 H new ATOM 0 HE ARG A 25 12.868 -3.376 9.621 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.037 -5.947 12.036 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.780 -6.165 11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.104 -3.661 9.389 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.945 -4.876 10.357 1.00 0.00 H new ATOM 386 N ARG A 26 9.240 -0.251 7.720 1.00 0.00 N ATOM 387 CA ARG A 26 8.981 1.166 7.565 1.00 0.00 C ATOM 388 C ARG A 26 7.493 1.396 7.325 1.00 0.00 C ATOM 389 O ARG A 26 6.888 2.296 7.904 1.00 0.00 O ATOM 390 CB ARG A 26 9.797 1.743 6.410 1.00 0.00 C ATOM 391 CG ARG A 26 9.653 3.246 6.284 1.00 0.00 C ATOM 392 CD ARG A 26 10.439 3.800 5.110 1.00 0.00 C ATOM 393 NE ARG A 26 10.330 5.255 5.029 1.00 0.00 N ATOM 394 CZ ARG A 26 10.808 5.986 4.023 1.00 0.00 C ATOM 395 NH1 ARG A 26 11.405 5.400 2.992 1.00 0.00 N ATOM 396 NH2 ARG A 26 10.680 7.306 4.038 1.00 0.00 N ATOM 0 H ARG A 26 9.840 -0.656 7.001 1.00 0.00 H new ATOM 0 HA ARG A 26 9.279 1.676 8.481 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.848 1.494 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.483 1.273 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.600 3.500 6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.994 3.721 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.487 3.518 5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.074 3.355 4.184 1.00 0.00 H new ATOM 0 HE ARG A 26 9.858 5.742 5.791 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.500 4.385 2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.769 5.965 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.215 7.764 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.047 7.863 3.266 1.00 0.00 H new ATOM 410 N LEU A 27 6.910 0.553 6.482 1.00 0.00 N ATOM 411 CA LEU A 27 5.486 0.619 6.192 1.00 0.00 C ATOM 412 C LEU A 27 4.680 0.293 7.442 1.00 0.00 C ATOM 413 O LEU A 27 3.729 0.998 7.780 1.00 0.00 O ATOM 414 CB LEU A 27 5.128 -0.352 5.064 1.00 0.00 C ATOM 415 CG LEU A 27 5.827 -0.085 3.729 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.462 -1.158 2.716 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.459 1.294 3.200 1.00 0.00 C ATOM 0 H LEU A 27 7.406 -0.187 5.986 1.00 0.00 H new ATOM 0 HA LEU A 27 5.242 1.632 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.371 -1.364 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.050 -0.318 4.905 1.00 0.00 H new ATOM 0 HG LEU A 27 6.904 -0.114 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.967 -0.954 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.773 -2.133 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.384 -1.157 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.965 1.466 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.381 1.351 3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.767 2.053 3.918 1.00 0.00 H new ATOM 429 N MET A 28 5.086 -0.765 8.137 1.00 0.00 N ATOM 430 CA MET A 28 4.412 -1.191 9.359 1.00 0.00 C ATOM 431 C MET A 28 4.498 -0.111 10.430 1.00 0.00 C ATOM 432 O MET A 28 3.509 0.194 11.095 1.00 0.00 O ATOM 433 CB MET A 28 5.019 -2.495 9.880 1.00 0.00 C ATOM 434 CG MET A 28 4.785 -3.684 8.963 1.00 0.00 C ATOM 435 SD MET A 28 5.548 -5.202 9.575 1.00 0.00 S ATOM 436 CE MET A 28 4.688 -5.410 11.135 1.00 0.00 C ATOM 0 H MET A 28 5.882 -1.346 7.873 1.00 0.00 H new ATOM 0 HA MET A 28 3.362 -1.361 9.122 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.092 -2.358 10.016 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.598 -2.715 10.861 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.713 -3.843 8.848 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.181 -3.457 7.973 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.786 -6.443 11.470 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.122 -4.744 11.881 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.633 -5.170 11.004 1.00 0.00 H new ATOM 446 N ASP A 29 5.691 0.461 10.590 1.00 0.00 N ATOM 447 CA ASP A 29 5.914 1.555 11.535 1.00 0.00 C ATOM 448 C ASP A 29 4.963 2.721 11.271 1.00 0.00 C ATOM 449 O ASP A 29 4.420 3.314 12.207 1.00 0.00 O ATOM 450 CB ASP A 29 7.368 2.038 11.448 1.00 0.00 C ATOM 451 CG ASP A 29 7.697 3.126 12.455 1.00 0.00 C ATOM 452 OD1 ASP A 29 8.132 2.793 13.578 1.00 0.00 O ATOM 453 OD2 ASP A 29 7.539 4.321 12.126 1.00 0.00 O ATOM 0 H ASP A 29 6.524 0.182 10.073 1.00 0.00 H new ATOM 0 HA ASP A 29 5.716 1.177 12.538 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.036 1.191 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.561 2.412 10.442 1.00 0.00 H new ATOM 458 N LEU A 30 4.752 3.037 9.994 1.00 0.00 N ATOM 459 CA LEU A 30 3.870 4.135 9.618 1.00 0.00 C ATOM 460 C LEU A 30 2.420 3.796 9.933 1.00 0.00 C ATOM 461 O LEU A 30 1.648 4.659 10.354 1.00 0.00 O ATOM 462 CB LEU A 30 4.021 4.468 8.132 1.00 0.00 C ATOM 463 CG LEU A 30 5.388 5.020 7.726 1.00 0.00 C ATOM 464 CD1 LEU A 30 5.442 5.257 6.224 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.691 6.308 8.477 1.00 0.00 C ATOM 0 H LEU A 30 5.179 2.549 9.207 1.00 0.00 H new ATOM 0 HA LEU A 30 4.157 5.010 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.824 3.567 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.257 5.196 7.859 1.00 0.00 H new ATOM 0 HG LEU A 30 6.146 4.282 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.422 5.650 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.271 4.316 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.672 5.975 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.668 6.685 8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.928 7.052 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.694 6.112 9.549 1.00 0.00 H new ATOM 477 N GLY A 31 2.054 2.539 9.732 1.00 0.00 N ATOM 478 CA GLY A 31 0.710 2.105 10.054 1.00 0.00 C ATOM 479 C GLY A 31 0.169 1.072 9.087 1.00 0.00 C ATOM 480 O GLY A 31 -0.966 0.618 9.233 1.00 0.00 O ATOM 0 H GLY A 31 2.662 1.813 9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.701 1.690 11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.047 2.970 10.060 1.00 0.00 H new ATOM 484 N LEU A 32 0.975 0.694 8.103 1.00 0.00 N ATOM 485 CA LEU A 32 0.544 -0.270 7.101 1.00 0.00 C ATOM 486 C LEU A 32 0.723 -1.689 7.634 1.00 0.00 C ATOM 487 O LEU A 32 1.795 -2.285 7.514 1.00 0.00 O ATOM 488 CB LEU A 32 1.326 -0.070 5.793 1.00 0.00 C ATOM 489 CG LEU A 32 0.621 -0.534 4.509 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.368 -0.025 3.287 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.508 -2.051 4.455 1.00 0.00 C ATOM 0 H LEU A 32 1.927 1.039 7.978 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.513 -0.113 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.561 0.989 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.274 -0.601 5.875 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.387 -0.120 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.859 -0.360 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.395 1.065 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.386 -0.414 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.005 -2.346 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.505 -2.491 4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.066 -2.404 5.312 1.00 0.00 H new ATOM 503 N VAL A 33 -0.326 -2.196 8.264 1.00 0.00 N ATOM 504 CA VAL A 33 -0.344 -3.550 8.806 1.00 0.00 C ATOM 505 C VAL A 33 -1.668 -4.217 8.458 1.00 0.00 C ATOM 506 O VAL A 33 -2.494 -3.626 7.762 1.00 0.00 O ATOM 507 CB VAL A 33 -0.160 -3.556 10.343 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.230 -3.066 10.727 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.229 -2.705 11.019 1.00 0.00 C ATOM 0 H VAL A 33 -1.193 -1.680 8.415 1.00 0.00 H new ATOM 0 HA VAL A 33 0.488 -4.098 8.363 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.268 -4.584 10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.334 -3.080 11.812 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.981 -3.718 10.282 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.371 -2.049 10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.080 -2.724 12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.157 -1.678 10.661 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.215 -3.104 10.782 1.00 0.00 H new ATOM 519 N ARG A 34 -1.888 -5.437 8.934 1.00 0.00 N ATOM 520 CA ARG A 34 -3.161 -6.098 8.690 1.00 0.00 C ATOM 521 C ARG A 34 -4.266 -5.382 9.452 1.00 0.00 C ATOM 522 O ARG A 34 -4.139 -5.115 10.649 1.00 0.00 O ATOM 523 CB ARG A 34 -3.130 -7.569 9.099 1.00 0.00 C ATOM 524 CG ARG A 34 -4.385 -8.319 8.672 1.00 0.00 C ATOM 525 CD ARG A 34 -4.417 -9.729 9.221 1.00 0.00 C ATOM 526 NE ARG A 34 -3.216 -10.481 8.873 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.605 -11.309 9.715 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.110 -11.508 10.927 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.503 -11.948 9.345 1.00 0.00 N ATOM 0 H ARG A 34 -1.217 -5.978 9.479 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.354 -6.054 7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.256 -8.048 8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.019 -7.640 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.266 -7.776 9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.435 -8.352 7.584 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.520 -9.693 10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.294 -10.248 8.835 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.826 -10.366 7.938 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.964 -11.026 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.644 -12.142 11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.120 -11.805 8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.038 -12.582 9.995 1.00 0.00 H new ATOM 543 N GLY A 35 -5.335 -5.057 8.751 1.00 0.00 N ATOM 544 CA GLY A 35 -6.421 -4.324 9.362 1.00 0.00 C ATOM 545 C GLY A 35 -6.394 -2.873 8.950 1.00 0.00 C ATOM 546 O GLY A 35 -7.363 -2.138 9.151 1.00 0.00 O ATOM 0 H GLY A 35 -5.472 -5.287 7.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.373 -4.770 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.350 -4.399 10.447 1.00 0.00 H new ATOM 550 N ALA A 36 -5.268 -2.456 8.383 1.00 0.00 N ATOM 551 CA ALA A 36 -5.146 -1.125 7.822 1.00 0.00 C ATOM 552 C ALA A 36 -5.977 -1.033 6.558 1.00 0.00 C ATOM 553 O ALA A 36 -5.933 -1.921 5.708 1.00 0.00 O ATOM 554 CB ALA A 36 -3.691 -0.791 7.536 1.00 0.00 C ATOM 0 H ALA A 36 -4.426 -3.026 8.302 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.516 -0.399 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.624 0.212 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.119 -0.835 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.286 -1.510 6.824 1.00 0.00 H new ATOM 560 N LYS A 37 -6.747 0.029 6.449 1.00 0.00 N ATOM 561 CA LYS A 37 -7.658 0.189 5.337 1.00 0.00 C ATOM 562 C LYS A 37 -7.371 1.494 4.630 1.00 0.00 C ATOM 563 O LYS A 37 -7.490 2.577 5.208 1.00 0.00 O ATOM 564 CB LYS A 37 -9.099 0.118 5.835 1.00 0.00 C ATOM 565 CG LYS A 37 -9.383 -1.189 6.562 1.00 0.00 C ATOM 566 CD LYS A 37 -10.672 -1.158 7.364 1.00 0.00 C ATOM 567 CE LYS A 37 -10.833 -2.446 8.156 1.00 0.00 C ATOM 568 NZ LYS A 37 -12.088 -2.474 8.946 1.00 0.00 N ATOM 0 H LYS A 37 -6.760 0.797 7.120 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.516 -0.619 4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.294 0.956 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.781 0.220 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.435 -1.999 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.552 -1.414 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.666 -0.305 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.522 -1.027 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.820 -3.294 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.982 -2.565 8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.150 -3.372 9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.092 -1.682 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.903 -2.388 8.306 1.00 0.00 H new ATOM 582 N LEU A 38 -6.984 1.381 3.379 1.00 0.00 N ATOM 583 CA LEU A 38 -6.463 2.515 2.643 1.00 0.00 C ATOM 584 C LEU A 38 -7.252 2.779 1.375 1.00 0.00 C ATOM 585 O LEU A 38 -8.034 1.938 0.926 1.00 0.00 O ATOM 586 CB LEU A 38 -4.976 2.289 2.317 1.00 0.00 C ATOM 587 CG LEU A 38 -4.604 0.898 1.777 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.095 0.706 0.348 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.098 0.691 1.851 1.00 0.00 C ATOM 0 H LEU A 38 -7.020 0.512 2.847 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.564 3.398 3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.669 3.035 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.395 2.472 3.221 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.097 0.153 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.815 -0.287 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.180 0.809 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.642 1.459 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.847 -0.297 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.596 1.452 1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.770 0.770 2.888 1.00 0.00 H new ATOM 601 N LYS A 39 -7.047 3.959 0.817 1.00 0.00 N ATOM 602 CA LYS A 39 -7.605 4.294 -0.474 1.00 0.00 C ATOM 603 C LYS A 39 -6.483 4.670 -1.429 1.00 0.00 C ATOM 604 O LYS A 39 -5.633 5.504 -1.106 1.00 0.00 O ATOM 605 CB LYS A 39 -8.604 5.449 -0.372 1.00 0.00 C ATOM 606 CG LYS A 39 -9.519 5.545 -1.580 1.00 0.00 C ATOM 607 CD LYS A 39 -10.402 6.779 -1.544 1.00 0.00 C ATOM 608 CE LYS A 39 -9.664 8.017 -2.025 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.587 9.167 -2.203 1.00 0.00 N ATOM 0 H LYS A 39 -6.494 4.703 1.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.139 3.421 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.208 5.322 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.059 6.386 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.916 5.560 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.146 4.655 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.281 6.615 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.758 6.941 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.887 8.280 -1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.165 7.800 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.051 9.995 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.313 8.923 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.044 9.389 -1.296 1.00 0.00 H new ATOM 623 N VAL A 40 -6.470 4.036 -2.589 1.00 0.00 N ATOM 624 CA VAL A 40 -5.480 4.333 -3.611 1.00 0.00 C ATOM 625 C VAL A 40 -5.718 5.723 -4.181 1.00 0.00 C ATOM 626 O VAL A 40 -6.783 5.998 -4.737 1.00 0.00 O ATOM 627 CB VAL A 40 -5.520 3.290 -4.744 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.492 3.603 -5.817 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.288 1.902 -4.180 1.00 0.00 C ATOM 0 H VAL A 40 -7.137 3.309 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.495 4.296 -3.146 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.507 3.327 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.545 2.849 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.698 4.585 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.495 3.600 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.318 1.171 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.313 1.865 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.066 1.670 -3.452 1.00 0.00 H new ATOM 639 N LEU A 41 -4.740 6.601 -4.020 1.00 0.00 N ATOM 640 CA LEU A 41 -4.872 7.982 -4.459 1.00 0.00 C ATOM 641 C LEU A 41 -4.609 8.097 -5.952 1.00 0.00 C ATOM 642 O LEU A 41 -5.495 8.481 -6.717 1.00 0.00 O ATOM 643 CB LEU A 41 -3.912 8.886 -3.681 1.00 0.00 C ATOM 644 CG LEU A 41 -4.120 8.899 -2.164 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.101 9.808 -1.493 1.00 0.00 C ATOM 646 CD2 LEU A 41 -5.537 9.342 -1.824 1.00 0.00 C ATOM 0 H LEU A 41 -3.843 6.381 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.894 8.307 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.890 8.570 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.013 9.905 -4.055 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.976 7.886 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.264 9.805 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.095 9.448 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.213 10.823 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.667 9.345 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.708 10.346 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.252 8.652 -2.273 1.00 0.00 H new ATOM 658 N ARG A 42 -3.400 7.744 -6.370 1.00 0.00 N ATOM 659 CA ARG A 42 -3.034 7.835 -7.772 1.00 0.00 C ATOM 660 C ARG A 42 -1.738 7.088 -8.030 1.00 0.00 C ATOM 661 O ARG A 42 -0.992 6.768 -7.100 1.00 0.00 O ATOM 662 CB ARG A 42 -2.863 9.301 -8.187 1.00 0.00 C ATOM 663 CG ARG A 42 -2.940 9.533 -9.689 1.00 0.00 C ATOM 664 CD ARG A 42 -2.504 10.944 -10.061 1.00 0.00 C ATOM 665 NE ARG A 42 -3.161 11.961 -9.240 1.00 0.00 N ATOM 666 CZ ARG A 42 -3.928 12.937 -9.727 1.00 0.00 C ATOM 667 NH1 ARG A 42 -4.169 13.017 -11.030 1.00 0.00 N ATOM 668 NH2 ARG A 42 -4.450 13.837 -8.904 1.00 0.00 N ATOM 0 H ARG A 42 -2.662 7.394 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.834 7.385 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.632 9.898 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.901 9.661 -7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.308 8.809 -10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.961 9.365 -10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.423 11.030 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.729 11.127 -11.112 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.024 11.921 -8.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.766 12.329 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.757 13.767 -11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.264 13.781 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.037 14.585 -9.273 1.00 0.00 H new ATOM 682 N PHE A 43 -1.485 6.813 -9.294 1.00 0.00 N ATOM 683 CA PHE A 43 -0.225 6.243 -9.726 1.00 0.00 C ATOM 684 C PHE A 43 0.574 7.323 -10.431 1.00 0.00 C ATOM 685 O PHE A 43 -0.006 8.210 -11.066 1.00 0.00 O ATOM 686 CB PHE A 43 -0.448 5.064 -10.683 1.00 0.00 C ATOM 687 CG PHE A 43 -1.087 3.860 -10.050 1.00 0.00 C ATOM 688 CD1 PHE A 43 -2.431 3.862 -9.717 1.00 0.00 C ATOM 689 CD2 PHE A 43 -0.342 2.720 -9.800 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.019 2.751 -9.146 1.00 0.00 C ATOM 691 CE2 PHE A 43 -0.924 1.607 -9.226 1.00 0.00 C ATOM 692 CZ PHE A 43 -2.263 1.623 -8.899 1.00 0.00 C ATOM 0 H PHE A 43 -2.148 6.979 -10.051 1.00 0.00 H new ATOM 0 HA PHE A 43 0.314 5.871 -8.854 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.073 5.398 -11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.512 4.770 -11.107 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.026 4.743 -9.906 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.707 2.701 -10.057 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.069 2.765 -8.893 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.331 0.725 -9.034 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.720 0.754 -8.450 1.00 0.00 H new ATOM 702 N ALA A 44 1.890 7.271 -10.305 1.00 0.00 N ATOM 703 CA ALA A 44 2.753 8.204 -11.014 1.00 0.00 C ATOM 704 C ALA A 44 2.627 7.988 -12.525 1.00 0.00 C ATOM 705 O ALA A 44 2.089 6.965 -12.958 1.00 0.00 O ATOM 706 CB ALA A 44 4.194 8.039 -10.557 1.00 0.00 C ATOM 0 H ALA A 44 2.383 6.596 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 44 2.441 9.223 -10.786 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.829 8.743 -11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.261 8.235 -9.487 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.526 7.021 -10.761 1.00 0.00 H new ATOM 712 N PRO A 45 3.111 8.941 -13.347 1.00 0.00 N ATOM 713 CA PRO A 45 2.985 8.878 -14.817 1.00 0.00 C ATOM 714 C PRO A 45 3.664 7.658 -15.458 1.00 0.00 C ATOM 715 O PRO A 45 3.708 7.544 -16.682 1.00 0.00 O ATOM 716 CB PRO A 45 3.655 10.172 -15.298 1.00 0.00 C ATOM 717 CG PRO A 45 4.507 10.616 -14.162 1.00 0.00 C ATOM 718 CD PRO A 45 3.790 10.179 -12.921 1.00 0.00 C ATOM 0 HA PRO A 45 1.938 8.778 -15.104 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.252 9.997 -16.193 1.00 0.00 H new ATOM 0 HB3 PRO A 45 2.913 10.929 -15.553 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.499 10.168 -14.219 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.644 11.697 -14.175 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.482 9.997 -12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.079 10.932 -12.579 1.00 0.00 H new ATOM 726 N LEU A 46 4.181 6.752 -14.638 1.00 0.00 N ATOM 727 CA LEU A 46 4.808 5.532 -15.136 1.00 0.00 C ATOM 728 C LEU A 46 4.326 4.315 -14.345 1.00 0.00 C ATOM 729 O LEU A 46 4.890 3.226 -14.458 1.00 0.00 O ATOM 730 CB LEU A 46 6.333 5.640 -15.040 1.00 0.00 C ATOM 731 CG LEU A 46 6.971 6.710 -15.927 1.00 0.00 C ATOM 732 CD1 LEU A 46 8.464 6.806 -15.658 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.720 6.404 -17.398 1.00 0.00 C ATOM 0 H LEU A 46 4.179 6.839 -13.622 1.00 0.00 H new ATOM 0 HA LEU A 46 4.524 5.406 -16.181 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.601 5.844 -14.003 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.766 4.673 -15.297 1.00 0.00 H new ATOM 0 HG LEU A 46 6.512 7.669 -15.688 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.901 7.572 -16.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.629 7.069 -14.613 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.934 5.846 -15.869 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.181 7.176 -18.014 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.152 5.435 -17.647 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.647 6.382 -17.587 1.00 0.00 H new ATOM 745 N GLY A 47 3.286 4.507 -13.536 1.00 0.00 N ATOM 746 CA GLY A 47 2.752 3.417 -12.729 1.00 0.00 C ATOM 747 C GLY A 47 3.520 3.228 -11.434 1.00 0.00 C ATOM 748 O GLY A 47 3.131 2.435 -10.576 1.00 0.00 O ATOM 0 H GLY A 47 2.802 5.398 -13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.705 3.616 -12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.783 2.492 -13.305 1.00 0.00 H new ATOM 752 N ASP A 48 4.611 3.964 -11.307 1.00 0.00 N ATOM 753 CA ASP A 48 5.478 3.907 -10.137 1.00 0.00 C ATOM 754 C ASP A 48 6.110 5.278 -9.921 1.00 0.00 C ATOM 755 O ASP A 48 6.555 5.905 -10.883 1.00 0.00 O ATOM 756 CB ASP A 48 6.560 2.835 -10.338 1.00 0.00 C ATOM 757 CG ASP A 48 7.674 2.911 -9.313 1.00 0.00 C ATOM 758 OD1 ASP A 48 7.542 2.301 -8.232 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.697 3.575 -9.591 1.00 0.00 O ATOM 0 H ASP A 48 4.925 4.625 -12.018 1.00 0.00 H new ATOM 0 HA ASP A 48 4.895 3.640 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.098 1.849 -10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.986 2.940 -11.336 1.00 0.00 H new ATOM 764 N PRO A 49 6.133 5.785 -8.675 1.00 0.00 N ATOM 765 CA PRO A 49 5.613 5.085 -7.499 1.00 0.00 C ATOM 766 C PRO A 49 4.091 5.183 -7.367 1.00 0.00 C ATOM 767 O PRO A 49 3.403 5.700 -8.255 1.00 0.00 O ATOM 768 CB PRO A 49 6.287 5.803 -6.321 1.00 0.00 C ATOM 769 CG PRO A 49 7.150 6.872 -6.910 1.00 0.00 C ATOM 770 CD PRO A 49 6.678 7.092 -8.313 1.00 0.00 C ATOM 0 HA PRO A 49 5.825 4.017 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.542 6.232 -5.651 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.882 5.106 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.075 7.791 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.198 6.572 -6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.922 7.876 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.493 7.388 -8.973 1.00 0.00 H new ATOM 778 N ILE A 50 3.576 4.686 -6.249 1.00 0.00 N ATOM 779 CA ILE A 50 2.141 4.675 -5.995 1.00 0.00 C ATOM 780 C ILE A 50 1.827 5.442 -4.714 1.00 0.00 C ATOM 781 O ILE A 50 2.518 5.290 -3.704 1.00 0.00 O ATOM 782 CB ILE A 50 1.611 3.230 -5.865 1.00 0.00 C ATOM 783 CG1 ILE A 50 2.045 2.399 -7.077 1.00 0.00 C ATOM 784 CG2 ILE A 50 0.091 3.226 -5.730 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.693 0.933 -6.971 1.00 0.00 C ATOM 0 H ILE A 50 4.136 4.282 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 50 1.649 5.155 -6.841 1.00 0.00 H new ATOM 0 HB ILE A 50 2.034 2.783 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.580 2.811 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.123 2.496 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.264 2.199 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.197 3.789 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.354 3.687 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.032 0.412 -7.866 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.180 0.504 -6.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.613 0.824 -6.875 1.00 0.00 H new ATOM 797 N GLU A 51 0.792 6.271 -4.765 1.00 0.00 N ATOM 798 CA GLU A 51 0.393 7.071 -3.617 1.00 0.00 C ATOM 799 C GLU A 51 -0.912 6.540 -3.033 1.00 0.00 C ATOM 800 O GLU A 51 -1.912 6.412 -3.743 1.00 0.00 O ATOM 801 CB GLU A 51 0.226 8.534 -4.031 1.00 0.00 C ATOM 802 CG GLU A 51 1.447 9.105 -4.731 1.00 0.00 C ATOM 803 CD GLU A 51 1.243 10.532 -5.185 1.00 0.00 C ATOM 804 OE1 GLU A 51 0.427 10.757 -6.102 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.896 11.439 -4.630 1.00 0.00 O ATOM 0 H GLU A 51 0.212 6.406 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 51 1.170 7.005 -2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.636 8.621 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.011 9.132 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.302 9.061 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.690 8.484 -5.594 1.00 0.00 H new ATOM 812 N VAL A 52 -0.900 6.222 -1.747 1.00 0.00 N ATOM 813 CA VAL A 52 -2.085 5.706 -1.078 1.00 0.00 C ATOM 814 C VAL A 52 -2.301 6.398 0.265 1.00 0.00 C ATOM 815 O VAL A 52 -1.346 6.841 0.908 1.00 0.00 O ATOM 816 CB VAL A 52 -2.007 4.176 -0.852 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.041 3.429 -2.178 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.762 3.805 -0.059 1.00 0.00 C ATOM 0 H VAL A 52 -0.081 6.312 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.927 5.916 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.880 3.879 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.985 2.356 -1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.969 3.659 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.193 3.736 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.731 2.725 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.126 4.123 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.788 4.301 0.911 1.00 0.00 H new ATOM 828 N ASN A 53 -3.559 6.515 0.665 1.00 0.00 N ATOM 829 CA ASN A 53 -3.897 7.054 1.976 1.00 0.00 C ATOM 830 C ASN A 53 -4.267 5.907 2.907 1.00 0.00 C ATOM 831 O ASN A 53 -5.370 5.367 2.824 1.00 0.00 O ATOM 832 CB ASN A 53 -5.058 8.054 1.872 1.00 0.00 C ATOM 833 CG ASN A 53 -5.322 8.796 3.175 1.00 0.00 C ATOM 834 OD1 ASN A 53 -5.131 8.265 4.270 1.00 0.00 O ATOM 835 ND2 ASN A 53 -5.758 10.039 3.068 1.00 0.00 N ATOM 0 H ASN A 53 -4.364 6.244 0.100 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.034 7.585 2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.838 8.777 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.962 7.523 1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.946 10.587 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.906 10.450 2.146 1.00 0.00 H new ATOM 842 N CYS A 54 -3.338 5.527 3.769 1.00 0.00 N ATOM 843 CA CYS A 54 -3.543 4.399 4.659 1.00 0.00 C ATOM 844 C CYS A 54 -3.813 4.871 6.083 1.00 0.00 C ATOM 845 O CYS A 54 -2.925 5.407 6.746 1.00 0.00 O ATOM 846 CB CYS A 54 -2.318 3.480 4.630 1.00 0.00 C ATOM 847 SG CYS A 54 -2.493 1.973 5.613 1.00 0.00 S ATOM 0 H CYS A 54 -2.433 5.985 3.870 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.415 3.843 4.314 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.111 3.203 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.453 4.036 4.991 1.00 0.00 H new ATOM 0 HG CYS A 54 -3.438 2.135 6.491 1.00 0.00 H new ATOM 853 N ASN A 55 -5.057 4.702 6.525 1.00 0.00 N ATOM 854 CA ASN A 55 -5.453 4.981 7.911 1.00 0.00 C ATOM 855 C ASN A 55 -5.247 6.451 8.268 1.00 0.00 C ATOM 856 O ASN A 55 -5.000 6.792 9.427 1.00 0.00 O ATOM 857 CB ASN A 55 -4.680 4.081 8.890 1.00 0.00 C ATOM 858 CG ASN A 55 -5.061 2.611 8.779 1.00 0.00 C ATOM 859 OD1 ASN A 55 -5.455 2.135 7.718 1.00 0.00 O ATOM 860 ND2 ASN A 55 -4.939 1.874 9.876 1.00 0.00 N ATOM 0 H ASN A 55 -5.821 4.369 5.937 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.517 4.761 7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.611 4.188 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.863 4.422 9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.175 0.882 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.609 2.300 10.742 1.00 0.00 H new ATOM 867 N GLY A 56 -5.379 7.321 7.276 1.00 0.00 N ATOM 868 CA GLY A 56 -5.222 8.742 7.509 1.00 0.00 C ATOM 869 C GLY A 56 -3.824 9.229 7.191 1.00 0.00 C ATOM 870 O GLY A 56 -3.554 10.432 7.231 1.00 0.00 O ATOM 0 H GLY A 56 -5.593 7.067 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.941 9.289 6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.453 8.964 8.551 1.00 0.00 H new ATOM 874 N MET A 57 -2.930 8.300 6.890 1.00 0.00 N ATOM 875 CA MET A 57 -1.572 8.648 6.500 1.00 0.00 C ATOM 876 C MET A 57 -1.427 8.610 4.992 1.00 0.00 C ATOM 877 O MET A 57 -1.804 7.635 4.349 1.00 0.00 O ATOM 878 CB MET A 57 -0.543 7.710 7.145 1.00 0.00 C ATOM 879 CG MET A 57 -0.234 8.033 8.601 1.00 0.00 C ATOM 880 SD MET A 57 -1.592 7.648 9.723 1.00 0.00 S ATOM 881 CE MET A 57 -1.581 5.857 9.658 1.00 0.00 C ATOM 0 H MET A 57 -3.120 7.298 6.908 1.00 0.00 H new ATOM 0 HA MET A 57 -1.379 9.660 6.855 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.911 6.686 7.081 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.382 7.753 6.570 1.00 0.00 H new ATOM 0 HG2 MET A 57 0.651 7.476 8.909 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.010 9.092 8.687 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.479 5.470 10.140 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.558 5.531 8.618 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.700 5.480 10.176 1.00 0.00 H new ATOM 891 N LEU A 58 -0.902 9.682 4.432 1.00 0.00 N ATOM 892 CA LEU A 58 -0.616 9.732 3.011 1.00 0.00 C ATOM 893 C LEU A 58 0.838 9.370 2.787 1.00 0.00 C ATOM 894 O LEU A 58 1.742 10.121 3.164 1.00 0.00 O ATOM 895 CB LEU A 58 -0.913 11.119 2.424 1.00 0.00 C ATOM 896 CG LEU A 58 -2.386 11.534 2.423 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.835 11.970 3.809 1.00 0.00 C ATOM 898 CD2 LEU A 58 -2.620 12.643 1.414 1.00 0.00 C ATOM 0 H LEU A 58 -0.664 10.533 4.941 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.262 9.017 2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.345 11.861 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.546 11.146 1.398 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.982 10.667 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.885 12.259 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.707 11.145 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.235 12.819 4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.672 12.928 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.008 13.506 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.349 12.292 0.418 1.00 0.00 H new ATOM 910 N LEU A 59 1.067 8.206 2.209 1.00 0.00 N ATOM 911 CA LEU A 59 2.423 7.726 2.006 1.00 0.00 C ATOM 912 C LEU A 59 2.609 7.159 0.606 1.00 0.00 C ATOM 913 O LEU A 59 1.731 6.481 0.068 1.00 0.00 O ATOM 914 CB LEU A 59 2.825 6.691 3.079 1.00 0.00 C ATOM 915 CG LEU A 59 1.864 5.516 3.320 1.00 0.00 C ATOM 916 CD1 LEU A 59 2.606 4.357 3.977 1.00 0.00 C ATOM 917 CD2 LEU A 59 0.706 5.949 4.211 1.00 0.00 C ATOM 0 H LEU A 59 0.337 7.578 1.873 1.00 0.00 H new ATOM 0 HA LEU A 59 3.087 8.584 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.797 6.281 2.805 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.957 7.218 4.024 1.00 0.00 H new ATOM 0 HG LEU A 59 1.469 5.192 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.915 3.530 4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.416 4.028 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.018 4.683 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.035 5.105 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.094 6.292 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.160 6.760 3.729 1.00 0.00 H new ATOM 929 N THR A 60 3.757 7.461 0.024 1.00 0.00 N ATOM 930 CA THR A 60 4.085 7.023 -1.317 1.00 0.00 C ATOM 931 C THR A 60 5.200 5.982 -1.272 1.00 0.00 C ATOM 932 O THR A 60 6.232 6.198 -0.635 1.00 0.00 O ATOM 933 CB THR A 60 4.531 8.218 -2.182 1.00 0.00 C ATOM 934 OG1 THR A 60 3.545 9.261 -2.118 1.00 0.00 O ATOM 935 CG2 THR A 60 4.734 7.804 -3.630 1.00 0.00 C ATOM 0 H THR A 60 4.487 8.017 0.470 1.00 0.00 H new ATOM 0 HA THR A 60 3.194 6.579 -1.760 1.00 0.00 H new ATOM 0 HB THR A 60 5.481 8.581 -1.790 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.760 9.955 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.048 8.668 -4.215 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.501 7.031 -3.683 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.798 7.415 -4.032 1.00 0.00 H new ATOM 943 N MET A 61 4.985 4.856 -1.935 1.00 0.00 N ATOM 944 CA MET A 61 5.978 3.791 -1.968 1.00 0.00 C ATOM 945 C MET A 61 6.136 3.254 -3.379 1.00 0.00 C ATOM 946 O MET A 61 5.430 3.680 -4.295 1.00 0.00 O ATOM 947 CB MET A 61 5.610 2.668 -0.984 1.00 0.00 C ATOM 948 CG MET A 61 4.148 2.242 -1.030 1.00 0.00 C ATOM 949 SD MET A 61 3.682 1.451 -2.583 1.00 0.00 S ATOM 950 CE MET A 61 1.935 1.184 -2.310 1.00 0.00 C ATOM 0 H MET A 61 4.132 4.655 -2.458 1.00 0.00 H new ATOM 0 HA MET A 61 6.936 4.205 -1.655 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.235 1.800 -1.193 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.848 2.996 0.028 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.951 1.555 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.517 3.117 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.429 1.076 -3.269 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.793 0.278 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.516 2.035 -1.773 1.00 0.00 H new ATOM 960 N ARG A 62 7.061 2.323 -3.550 1.00 0.00 N ATOM 961 CA ARG A 62 7.397 1.826 -4.872 1.00 0.00 C ATOM 962 C ARG A 62 6.428 0.727 -5.290 1.00 0.00 C ATOM 963 O ARG A 62 5.893 0.010 -4.444 1.00 0.00 O ATOM 964 CB ARG A 62 8.827 1.279 -4.890 1.00 0.00 C ATOM 965 CG ARG A 62 9.837 2.128 -4.129 1.00 0.00 C ATOM 966 CD ARG A 62 9.832 3.575 -4.584 1.00 0.00 C ATOM 967 NE ARG A 62 10.882 4.355 -3.931 1.00 0.00 N ATOM 968 CZ ARG A 62 11.186 5.607 -4.257 1.00 0.00 C ATOM 969 NH1 ARG A 62 10.569 6.202 -5.268 1.00 0.00 N ATOM 970 NH2 ARG A 62 12.136 6.253 -3.596 1.00 0.00 N ATOM 0 H ARG A 62 7.591 1.897 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 62 7.322 2.655 -5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.824 0.274 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.155 1.188 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.615 2.084 -3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.835 1.710 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.968 3.616 -5.665 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.861 4.020 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 62 11.413 3.912 -3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.858 5.699 -5.799 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.805 7.163 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.634 5.789 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.369 7.214 -3.847 1.00 0.00 H new ATOM 984 N ARG A 63 6.225 0.586 -6.595 1.00 0.00 N ATOM 985 CA ARG A 63 5.332 -0.438 -7.131 1.00 0.00 C ATOM 986 C ARG A 63 5.770 -1.834 -6.681 1.00 0.00 C ATOM 987 O ARG A 63 4.945 -2.732 -6.517 1.00 0.00 O ATOM 988 CB ARG A 63 5.310 -0.364 -8.659 1.00 0.00 C ATOM 989 CG ARG A 63 4.352 -1.345 -9.311 1.00 0.00 C ATOM 990 CD ARG A 63 4.493 -1.338 -10.823 1.00 0.00 C ATOM 991 NE ARG A 63 3.634 -2.342 -11.446 1.00 0.00 N ATOM 992 CZ ARG A 63 4.061 -3.244 -12.330 1.00 0.00 C ATOM 993 NH1 ARG A 63 5.336 -3.265 -12.705 1.00 0.00 N ATOM 994 NH2 ARG A 63 3.211 -4.135 -12.829 1.00 0.00 N ATOM 0 H ARG A 63 6.668 1.170 -7.305 1.00 0.00 H new ATOM 0 HA ARG A 63 4.329 -0.253 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.038 0.648 -8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.316 -0.549 -9.036 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.543 -2.349 -8.931 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.328 -1.091 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.239 -0.351 -11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.532 -1.528 -11.093 1.00 0.00 H new ATOM 0 HE ARG A 63 2.647 -2.354 -11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.993 -2.589 -12.316 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.657 -3.957 -13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.234 -4.128 -12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.535 -4.826 -13.505 1.00 0.00 H new ATOM 1008 N ASN A 64 7.076 -1.987 -6.466 1.00 0.00 N ATOM 1009 CA ASN A 64 7.659 -3.258 -6.032 1.00 0.00 C ATOM 1010 C ASN A 64 6.981 -3.763 -4.763 1.00 0.00 C ATOM 1011 O ASN A 64 6.654 -4.947 -4.645 1.00 0.00 O ATOM 1012 CB ASN A 64 9.161 -3.097 -5.766 1.00 0.00 C ATOM 1013 CG ASN A 64 9.893 -2.396 -6.891 1.00 0.00 C ATOM 1014 OD1 ASN A 64 10.094 -1.097 -6.741 1.00 0.00 O flip ATOM 1015 ND2 ASN A 64 10.301 -3.019 -7.869 1.00 0.00 N flip ATOM 0 H ASN A 64 7.758 -1.238 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 64 7.505 -3.982 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.302 -2.534 -4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.604 -4.081 -5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.124 -4.021 -7.946 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.816 -2.534 -8.604 1.00 0.00 H new ATOM 1022 N GLU A 65 6.768 -2.851 -3.822 1.00 0.00 N ATOM 1023 CA GLU A 65 6.153 -3.187 -2.547 1.00 0.00 C ATOM 1024 C GLU A 65 4.669 -3.466 -2.721 1.00 0.00 C ATOM 1025 O GLU A 65 4.133 -4.400 -2.133 1.00 0.00 O ATOM 1026 CB GLU A 65 6.354 -2.054 -1.537 1.00 0.00 C ATOM 1027 CG GLU A 65 7.752 -1.998 -0.940 1.00 0.00 C ATOM 1028 CD GLU A 65 8.844 -1.779 -1.969 1.00 0.00 C ATOM 1029 OE1 GLU A 65 9.026 -0.628 -2.410 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.532 -2.757 -2.332 1.00 0.00 O ATOM 0 H GLU A 65 7.015 -1.866 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 65 6.636 -4.088 -2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.140 -1.103 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.630 -2.168 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.792 -1.195 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.948 -2.929 -0.407 1.00 0.00 H new ATOM 1037 N ALA A 66 4.014 -2.662 -3.546 1.00 0.00 N ATOM 1038 CA ALA A 66 2.578 -2.791 -3.759 1.00 0.00 C ATOM 1039 C ALA A 66 2.225 -4.139 -4.380 1.00 0.00 C ATOM 1040 O ALA A 66 1.143 -4.678 -4.139 1.00 0.00 O ATOM 1041 CB ALA A 66 2.074 -1.654 -4.624 1.00 0.00 C ATOM 0 H ALA A 66 4.454 -1.912 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 66 2.086 -2.739 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.000 -1.761 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.278 -0.704 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.581 -1.678 -5.588 1.00 0.00 H new ATOM 1047 N GLU A 67 3.136 -4.667 -5.191 1.00 0.00 N ATOM 1048 CA GLU A 67 2.994 -6.012 -5.743 1.00 0.00 C ATOM 1049 C GLU A 67 2.973 -7.047 -4.622 1.00 0.00 C ATOM 1050 O GLU A 67 2.177 -7.984 -4.635 1.00 0.00 O ATOM 1051 CB GLU A 67 4.149 -6.315 -6.703 1.00 0.00 C ATOM 1052 CG GLU A 67 4.125 -5.502 -7.990 1.00 0.00 C ATOM 1053 CD GLU A 67 3.146 -6.044 -9.011 1.00 0.00 C ATOM 1054 OE1 GLU A 67 3.388 -7.145 -9.547 1.00 0.00 O ATOM 1055 OE2 GLU A 67 2.131 -5.376 -9.288 1.00 0.00 O ATOM 0 H GLU A 67 3.985 -4.182 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 67 2.052 -6.062 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.092 -6.130 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.127 -7.375 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.865 -4.470 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.125 -5.488 -8.424 1.00 0.00 H new ATOM 1062 N GLY A 68 3.872 -6.879 -3.663 1.00 0.00 N ATOM 1063 CA GLY A 68 3.936 -7.777 -2.528 1.00 0.00 C ATOM 1064 C GLY A 68 2.724 -7.669 -1.619 1.00 0.00 C ATOM 1065 O GLY A 68 2.291 -8.660 -1.025 1.00 0.00 O ATOM 0 H GLY A 68 4.564 -6.130 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.024 -8.802 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.836 -7.563 -1.952 1.00 0.00 H new ATOM 1069 N ILE A 69 2.184 -6.466 -1.497 1.00 0.00 N ATOM 1070 CA ILE A 69 1.064 -6.224 -0.597 1.00 0.00 C ATOM 1071 C ILE A 69 -0.228 -6.799 -1.165 1.00 0.00 C ATOM 1072 O ILE A 69 -0.639 -6.464 -2.276 1.00 0.00 O ATOM 1073 CB ILE A 69 0.856 -4.717 -0.319 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.153 -4.075 0.170 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.247 -4.516 0.714 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.074 -2.568 0.289 1.00 0.00 C ATOM 0 H ILE A 69 2.502 -5.643 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 69 1.311 -6.722 0.340 1.00 0.00 H new ATOM 0 HB ILE A 69 0.560 -4.236 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.413 -4.495 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.959 -4.336 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.382 -3.450 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.178 -4.940 0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.030 -5.014 1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.030 -2.180 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.845 -2.138 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.290 -2.300 0.997 1.00 0.00 H new ATOM 1088 N THR A 70 -0.853 -7.670 -0.391 1.00 0.00 N ATOM 1089 CA THR A 70 -2.114 -8.273 -0.768 1.00 0.00 C ATOM 1090 C THR A 70 -3.254 -7.567 -0.045 1.00 0.00 C ATOM 1091 O THR A 70 -3.275 -7.500 1.190 1.00 0.00 O ATOM 1092 CB THR A 70 -2.125 -9.772 -0.415 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.938 -10.393 -0.927 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.350 -10.466 -0.991 1.00 0.00 C ATOM 0 H THR A 70 -0.499 -7.977 0.515 1.00 0.00 H new ATOM 0 HA THR A 70 -2.243 -8.169 -1.845 1.00 0.00 H new ATOM 0 HB THR A 70 -2.158 -9.867 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.944 -11.347 -0.701 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.328 -11.523 -0.724 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.252 -10.008 -0.586 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.348 -10.366 -2.076 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.189 -7.028 -0.809 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.291 -6.270 -0.241 1.00 0.00 C ATOM 1104 C VAL A 71 -6.631 -6.873 -0.632 1.00 0.00 C ATOM 1105 O VAL A 71 -6.721 -7.651 -1.584 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.260 -4.790 -0.684 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -4.009 -4.100 -0.168 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.357 -4.675 -2.198 1.00 0.00 C ATOM 0 H VAL A 71 -4.207 -7.101 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.172 -6.316 0.842 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.126 -4.289 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.008 -3.059 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.994 -4.141 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.127 -4.604 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.333 -3.624 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.517 -5.196 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.291 -5.123 -2.538 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.658 -6.517 0.116 1.00 0.00 N ATOM 1119 CA HIS A 72 -9.007 -6.971 -0.162 1.00 0.00 C ATOM 1120 C HIS A 72 -9.943 -5.766 -0.242 1.00 0.00 C ATOM 1121 O HIS A 72 -10.101 -5.029 0.735 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.465 -7.945 0.931 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.771 -8.621 0.646 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -10.820 -9.901 0.148 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -12.034 -8.157 0.795 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.103 -10.185 0.007 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.879 -9.159 0.385 1.00 0.00 N ATOM 0 H HIS A 72 -7.581 -5.907 0.930 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.028 -7.495 -1.118 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.697 -8.707 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.548 -7.403 1.873 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.322 -7.184 1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.479 -11.126 -0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.898 -9.129 0.371 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.537 -5.556 -1.411 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.433 -4.426 -1.627 1.00 0.00 C ATOM 1137 C ILE A 73 -12.678 -4.543 -0.754 1.00 0.00 C ATOM 1138 O ILE A 73 -13.371 -5.562 -0.772 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.862 -4.311 -3.106 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.641 -4.094 -4.000 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.864 -3.178 -3.292 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -10.985 -3.994 -5.470 1.00 0.00 C ATOM 0 H ILE A 73 -10.414 -6.156 -2.227 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.879 -3.528 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.344 -5.245 -3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.131 -3.182 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.941 -4.917 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.152 -3.116 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.748 -3.370 -2.684 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.410 -2.236 -2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.073 -3.840 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.469 -4.915 -5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.661 -3.154 -5.629 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.969 -3.489 -0.006 1.00 0.00 N ATOM 1155 CA LEU A 74 -14.113 -3.486 0.898 1.00 0.00 C ATOM 1156 C LEU A 74 -15.394 -3.144 0.151 1.00 0.00 C ATOM 1157 O LEU A 74 -16.074 -2.163 0.461 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.881 -2.507 2.050 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.701 -2.861 2.954 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -12.606 -1.891 4.117 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.831 -4.295 3.453 1.00 0.00 C ATOM 0 H LEU A 74 -12.429 -2.624 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.223 -4.488 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.720 -1.511 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.785 -2.458 2.657 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.782 -2.780 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.759 -2.161 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -12.467 -0.879 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -13.524 -1.935 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.984 -4.535 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.757 -4.401 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.845 -4.976 2.602 1.00 0.00 H new